data_2m5o_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 2m5o _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.444 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 5.9 p-10 . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 119.721 -0.18 . . . . 74.15 111.274 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.18 -50.91 57.22 Favored Glycine 0 C--N 1.353 1.522 0 N-CA-C 111.676 -0.57 . . . . 75.2 111.676 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.424 HG11 HD12 ' A' ' 82' ' ' ILE . 41.0 t -63.92 -51.56 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.519 0.728 . . . . 75.21 110.129 174.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.444 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 53.2 t -53.13 -46.15 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.494 1.118 . . . . 74.45 112.02 -176.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.55 81.89 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.668 0.787 . . . . 61.21 111.851 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.472 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.2 ptm -74.96 -23.07 58.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 119.295 -0.383 . . . . 74.42 110.956 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 19' ' ' VAL . 82.2 mt -66.53 -44.93 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 108.972 -0.751 . . . . 74.35 108.972 170.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -52.59 -43.39 65.28 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.957 0.785 . . . . 75.21 111.965 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.74 -40.35 55.63 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-O 119.127 -0.464 . . . . 73.21 109.878 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.408 ' HB3' ' HE3' ' A' ' 77' ' ' MET . 57.3 mt -59.89 -29.59 68.43 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.709 0.804 . . . . 73.2 111.15 178.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.88 -57.09 4.05 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.224 -0.658 . . . . 73.32 109.224 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -59.94 -32.43 70.78 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.645 0.778 . . . . 71.43 113.068 -169.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.7 p -90.53 -46.96 7.99 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.769 0.827 . . . . 73.14 111.416 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -98.97 -47.38 5.27 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.08 0.552 . . . . 73.54 112.388 -168.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.424 ' O ' HG22 ' A' ' 35' ' ' VAL . 51.5 mm -88.27 -63.75 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.06 0.544 . . . . 75.33 111.773 -170.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 55.9 mtp180 -43.61 -53.41 12.17 Favored Pre-proline 0 N--CA 1.492 1.658 0 CA-C-O 117.584 -1.198 . . . . 73.13 113.242 -175.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 71.3 Cg_exo -52.1 -46.62 31.38 Favored 'Trans proline' 0 C--N 1.398 3.156 0 C-N-CA 122.337 2.025 . . . . 71.23 113.23 177.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.9 m -60.77 -47.68 85.24 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.89 0.876 . . . . 75.31 111.049 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.626 HG12 ' SG ' ' A' ' 60' ' ' CYS . 15.0 t -65.38 -38.85 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 115.489 -0.778 . . . . 74.13 110.441 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -68.28 -32.25 72.27 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.707 0.803 . . . . 73.01 111.642 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 32.8 mm-40 -65.92 -31.72 72.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.894 0.478 . . . . 73.52 110.797 174.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -80.74 -22.28 40.37 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.409 -0.36 . . . . 74.22 110.998 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.37 36.36 2.49 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 116.061 -0.518 . . . . 73.34 112.342 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.19 -153.29 6.08 Favored Glycine 0 C--N 1.339 0.697 0 N-CA-C 111.238 -0.745 . . . . 72.25 111.238 174.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' N ' ' HB2' ' A' ' 57' ' ' GLN . 30.0 t0 -175.55 163.45 2.94 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.339 1.056 . . . . 75.01 109.366 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.9 122.34 68.35 Favored 'Isoleucine or valine' 0 C--O 1.246 0.904 0 N-CA-C 108.511 -0.922 . . . . 72.34 108.511 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.467 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 2.3 mp -104.02 119.43 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 107.864 -1.161 . . . . 74.43 107.864 178.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -68.6 108.64 3.42 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 123.616 0.572 . . . . 74.3 110.479 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 10.6 mmpt? -88.48 -36.15 16.62 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.738 0.815 . . . . 74.41 110.69 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.21 -171.61 39.8 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 121.589 -0.339 . . . . 62.42 113.706 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -140.89 110.83 6.53 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 106.373 -1.714 . . . . 72.21 106.373 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.77 123.29 13.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.247 -0.649 . . . . 75.44 109.247 -171.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 t70 65.26 23.92 12.2 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.961 1.304 . . . . 74.2 111.484 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.23 6.43 81.47 Favored Glycine 0 C--N 1.347 1.16 0 CA-C-N 115.716 -0.675 . . . . 71.14 113.246 -176.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.0 mm -106.2 113.62 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 123.475 0.71 . . . . 75.15 109.549 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.562 ' HB ' HG21 ' A' ' 88' ' ' VAL . 36.5 t -79.96 105.42 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.563 -0.902 . . . . 75.14 108.563 174.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -87.66 121.66 30.37 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 108.88 -0.785 . . . . 75.42 108.88 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.7 mt -130.74 137.82 49.67 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.319 1.048 . . . . 73.43 110.075 -176.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 87.0 tttt -90.23 122.52 33.24 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.717 -0.846 . . . . 74.11 108.717 171.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.4 mt -96.34 138.03 34.53 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.686 -0.487 . . . . 73.12 109.686 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.404 ' HB2' ' N ' ' A' ' 41' ' ' ASP . 83.8 mm-40 -96.5 175.73 6.3 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.926 0.891 . . . . 73.11 110.408 175.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.423 ' HA2' HG21 ' A' ' 61' ' ' THR . . . -55.24 171.88 1.33 Allowed Glycine 0 C--N 1.351 1.367 0 N-CA-C 116.255 1.262 . . . . 74.33 116.255 -172.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 m 71.4 -63.09 0.43 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.637 1.575 . . . . 73.11 110.762 -172.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.626 ' SG ' HG12 ' A' ' 35' ' ' VAL . 63.9 m -65.11 -42.81 93.6 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.857 0.863 . . . . 52.32 111.894 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.495 ' HA ' HG12 ' A' ' 67' ' ' ILE . 6.6 t -85.26 -16.2 40.92 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.44 0.296 . . . . 65.53 111.338 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 m -71.3 -40.52 70.79 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.87 0.468 . . . . 72.32 110.959 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.6 m -97.32 121.47 58.55 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 123.245 0.618 . . . . 71.03 109.627 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -58.01 -35.97 98.38 Favored 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 123.659 2.906 . . . . 74.21 113.268 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -63.68 -43.07 97.74 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.231 0.612 . . . . 75.32 110.643 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.1 m -67.76 -29.82 69.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.968 0.907 . . . . 62.54 111.668 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.495 HG12 ' HA ' ' A' ' 61' ' ' THR . 78.0 mt -61.06 -51.13 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.028 0.531 . . . . 74.2 110.062 173.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.34 -44.45 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.868 0.73 . . . . 74.12 110.401 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.4 m -63.58 -45.4 90.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.731 0.812 . . . . 75.41 111.146 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.81 -51.13 61.52 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.561 0.538 . . . . 73.14 110.2 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.76 -44.56 77.75 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.111 0.964 . . . . 74.42 110.806 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -69.33 -38.77 78.36 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.736 0.815 . . . . 74.44 111.942 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.8 -47.61 84.67 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 111.865 -0.494 . . . . 72.23 111.865 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.41 -46.57 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.801 0.84 . . . . 73.04 109.605 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.438 ' NE2' ' HA2' ' A' ' 87' ' ' GLY . 63.5 tt0 -56.48 -55.82 28.88 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.326 1.016 . . . . 74.31 111.089 -177.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.406 ' N ' HD21 ' A' ' 76' ' ' ASN . 0.8 OUTLIER -62.62 -38.1 88.89 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.747 0.819 . . . . 70.23 111.31 -176.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.408 ' HE3' ' HB3' ' A' ' 26' ' ' LEU . 31.9 ttp -61.86 -49.06 77.78 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.14 0.576 . . . . 73.31 110.645 177.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.524 ' HB3' HG21 ' A' ' 85' ' ' VAL . 94.4 mt -66.25 -38.67 88.41 Favored 'General case' 0 C--O 1.212 -0.916 0 C-N-CA 123.953 0.901 . . . . 74.32 111.041 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.9 mt-30 -67.8 -30.51 69.95 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.541 0.736 . . . . 75.3 111.198 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.77 -47.88 84.33 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 123.891 0.745 . . . . 74.02 110.534 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -88.41 -30.35 19.55 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.436 0.694 . . . . 74.1 111.151 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.472 HD11 ' HG3' ' A' ' 22' ' ' MET . 46.1 mt -131.27 94.0 28.26 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.401 1.08 . . . . 73.34 108.965 -169.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.08 -3.41 12.81 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 122.509 2.139 . . . . 75.32 112.986 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -69.9 -28.88 65.99 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.997 0.919 . . . . 74.34 110.059 173.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 78' ' ' LEU . 69.4 t -70.83 106.23 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 108.964 -0.754 . . . . 74.41 108.964 174.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -92.0 -33.52 14.8 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.388 0.675 . . . . 65.34 109.737 172.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.438 ' HA2' ' NE2' ' A' ' 75' ' ' GLN . . . -151.47 167.97 30.9 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.797 -0.638 . . . . 71.12 113.122 -177.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.562 HG21 ' HB ' ' A' ' 52' ' ' VAL . 61.4 t -132.81 136.74 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 106.908 -1.516 . . . . 64.55 106.908 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -125.3 131.58 53.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.112 0.565 . . . . 61.54 110.184 -171.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -84.29 108.66 17.27 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.288 -1.004 . . . . 75.21 108.288 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 CA--C 1.537 0.467 0 C-N-CA 124.028 0.931 . . . . 65.43 109.176 176.472 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 112.077 0.399 . . . . 71.41 112.077 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.38 -45.43 93.34 Favored Glycine 0 C--N 1.357 1.728 0 N-CA-C 112.003 -0.439 . . . . 63.33 112.003 174.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 23' ' ' ILE . 59.4 t -64.49 -52.49 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.518 0.727 . . . . 60.35 110.158 175.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.93 -43.41 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.287 1.035 . . . . 72.43 111.58 -174.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -44.02 78.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.598 0.759 . . . . 73.42 111.367 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.42 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.8 ptm -70.48 -30.1 66.81 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 119.071 -0.49 . . . . 74.5 110.742 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 19' ' ' VAL . 72.7 mt -63.4 -48.05 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 109.136 -0.69 . . . . 75.43 109.136 172.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -53.26 -47.9 68.71 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 123.927 0.767 . . . . 73.32 111.297 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.62 -41.39 65.6 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 123.77 0.669 . . . . 64.23 110.705 -174.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 22' ' ' MET . 83.9 mt -60.06 -36.28 76.99 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.946 0.499 . . . . 74.23 110.634 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.7 mt -71.3 -52.02 21.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.813 -0.63 . . . . 74.44 109.753 174.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.36 -24.54 66.52 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.534 0.734 . . . . 64.43 112.806 -169.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.3 p -96.59 -40.8 8.85 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.387 0.675 . . . . 72.51 111.794 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HD2' ' SD ' ' A' ' 77' ' ' MET . 40.8 mtt180 -98.5 -54.5 3.02 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.843 0.457 . . . . 72.4 111.648 -172.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -86.29 -60.19 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 116.129 -0.487 . . . . 71.41 110.929 -166.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -47.1 -52.35 34.89 Favored Pre-proline 0 N--CA 1.488 1.432 0 CA-C-O 117.175 -1.393 . . . . 70.01 112.5 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.49 -43.37 58.75 Favored 'Trans proline' 0 C--N 1.408 3.669 0 C-N-CA 122.458 2.106 . . . . 72.13 112.635 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.0 m -59.66 -47.94 83.63 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.055 0.942 . . . . 72.12 110.938 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.721 HG11 ' SG ' ' A' ' 60' ' ' CYS . 24.4 t -71.59 -33.52 49.46 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 CA-C-N 114.965 -1.016 . . . . 73.03 110.224 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -66.54 -38.61 87.5 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.8 0.84 . . . . 73.22 110.755 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -69.68 -28.69 66.07 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.138 0.575 . . . . 74.43 110.495 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -77.6 -22.13 51.29 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.712 0.805 . . . . 74.52 110.828 176.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.67 8.78 22.22 Favored Glycine 0 N--CA 1.476 1.364 0 CA-C-O 120.065 -0.297 . . . . 60.15 113.721 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.14 -145.09 7.34 Favored Glycine 0 N--CA 1.47 0.941 0 CA-C-O 119.682 -0.51 . . . . 74.4 112.105 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -179.29 161.03 1.06 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.466 1.507 . . . . 74.14 108.956 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.2 m -124.57 118.5 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 108.238 -1.023 . . . . 71.03 108.238 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.434 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -106.25 120.55 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 108.261 -1.014 . . . . 73.04 108.261 -176.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -66.46 109.77 2.87 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.503 -0.554 . . . . 73.44 109.503 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HG3' HG22 ' A' ' 91' ' ' VAL . 10.6 mmpt? -90.07 -38.36 13.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.296 0.639 . . . . 72.1 110.23 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 170.96 -171.42 43.86 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 121.101 -0.571 . . . . 75.32 113.675 177.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -144.68 111.09 5.6 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 106.502 -1.666 . . . . 71.2 106.502 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -124.86 133.51 53.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.249 -1.019 . . . . 75.44 108.249 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 67.67 -81.65 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 125.009 1.324 . . . . 73.21 109.817 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.89 15.79 0.36 Allowed Glycine 0 C--N 1.343 0.939 0 C-N-CA 123.814 0.721 . . . . 53.42 111.304 175.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.6 mm -108.19 116.01 50.47 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 C-N-CA 124.028 0.931 . . . . 75.11 108.774 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.537 ' HB ' HG21 ' A' ' 88' ' ' VAL . 46.9 t -78.73 103.59 5.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 N-CA-C 108.012 -1.107 . . . . 75.21 108.012 175.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -88.6 114.71 25.5 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 115.44 -0.8 . . . . 73.11 109.674 -174.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.0 mt -121.74 139.26 53.81 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.23 1.012 . . . . 73.12 110.618 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.541 ' HE2' ' NE2' ' A' ' 57' ' ' GLN . 83.4 tttt -88.6 114.42 25.2 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.173 0.989 . . . . 72.23 108.49 173.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.605 HD13 HD22 ' A' ' 70' ' ' LEU . 25.0 mt -95.92 134.63 38.68 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.085 -0.709 . . . . 74.2 109.085 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.541 ' NE2' ' HE2' ' A' ' 55' ' ' LYS . 81.6 mm-40 -95.23 174.43 7.06 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.699 0.8 . . . . 73.33 110.218 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.48 174.33 3.91 Favored Glycine 0 C--N 1.361 1.929 0 O-C-N 124.329 1.018 . . . . 53.24 113.945 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.0 t 76.76 -55.11 0.57 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.418 1.487 . . . . 64.44 111.048 -176.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.721 ' SG ' HG11 ' A' ' 35' ' ' VAL . 85.8 m -78.79 -27.87 44.57 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.376 0.671 . . . . 75.22 111.464 176.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.2 p -77.7 -18.31 56.75 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.704 0.402 . . . . 74.4 111.662 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.9 m -60.84 119.11 7.58 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.353 0.661 . . . . 53.14 109.873 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.4 m 68.45 121.6 0.03 OUTLIER Pre-proline 0 CA--C 1.56 1.364 0 C-N-CA 125.327 1.451 . . . . 73.44 111.103 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.472 ' HA ' HD11 ' A' ' 67' ' ' ILE . 85.7 Cg_exo -50.57 -26.41 16.75 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 123.811 3.007 . . . . 63.14 114.329 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.3 t -56.71 -47.66 79.45 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.24 1.016 . . . . 73.13 110.851 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.0 m -72.11 -28.39 63.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.232 0.613 . . . . 74.23 111.962 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.472 HD11 ' HA ' ' A' ' 64' ' ' PRO . 66.4 mt -65.37 -43.21 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.416 0.686 . . . . 73.05 110.395 173.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 64' ' ' PRO . 83.4 mt -63.09 -45.81 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.638 0.775 . . . . 63.41 109.7 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.4 m -63.39 -40.8 98.2 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.781 0.832 . . . . 72.15 111.375 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.605 HD22 HD13 ' A' ' 56' ' ' LEU . 28.9 tp -67.37 -48.23 68.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 122.943 0.497 . . . . 65.41 109.997 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -55.09 -46.74 75.5 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.865 0.866 . . . . 74.11 110.869 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -68.47 -48.76 63.66 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.732 1.27 . . . . 74.1 111.161 -168.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.31 -46.63 90.17 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 123.824 0.703 . . . . 71.32 112.509 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.72 -43.44 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.902 0.881 . . . . 74.55 110.526 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.14 -50.72 69.32 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.333 -0.849 . . . . 64.24 110.438 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -59.0 -36.73 75.42 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.018 0.824 . . . . 70.22 111.242 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.404 ' SD ' ' HD2' ' A' ' 30' ' ' ARG . 54.6 ttp -64.41 -57.3 9.67 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.261 0.624 . . . . 73.44 110.218 178.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.54 ' HB3' HG23 ' A' ' 85' ' ' VAL . 97.2 mt -66.63 -28.25 68.34 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.743 0.817 . . . . 72.41 112.069 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.3 mt-30 -75.76 -35.41 60.17 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.015 0.526 . . . . 74.35 110.664 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -62.34 -49.33 76.0 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.752 0.821 . . . . 74.32 109.737 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -79.85 -36.39 36.79 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.628 -0.714 . . . . 73.33 111.985 -178.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.4 mt -126.98 115.31 22.04 Favored Pre-proline 0 N--CA 1.488 1.44 0 C-N-CA 123.447 0.699 . . . . 75.11 110.667 -169.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.17 -9.79 26.13 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 123.041 2.494 . . . . 75.32 113.679 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -76.38 -28.52 56.78 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.27 0.628 . . . . 75.23 110.779 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' A' ' 78' ' ' LEU . 98.3 t -73.99 99.86 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 123.372 0.669 . . . . 70.42 110.179 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -77.83 -33.38 52.35 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.663 0.785 . . . . 62.34 110.015 173.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.93 179.51 40.66 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 116.233 -0.44 . . . . 75.41 112.938 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.537 HG21 ' HB ' ' A' ' 52' ' ' VAL . 52.7 t -133.53 135.99 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.613 1.165 . . . . 73.43 108.375 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -122.26 154.17 37.91 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.122 0.569 . . . . 72.34 110.578 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -94.93 108.25 20.29 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.334 -0.987 . . . . 64.43 108.334 167.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.437 HG22 ' HG3' ' A' ' 45' ' ' LYS . 3.7 m . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 108.261 -1.015 . . . . 74.13 108.261 169.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.335 0.112 . . . . 64.21 111.286 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.71 -34.5 66.67 Favored Glycine 0 C--N 1.349 1.281 0 N-CA-C 111.828 -0.509 . . . . 74.21 111.828 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 23' ' ' ILE . 47.4 t -64.78 -47.53 88.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 C-N-CA 123.105 0.562 . . . . 72.05 109.631 173.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 68.8 t -52.59 -46.78 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.296 1.039 . . . . 71.5 110.54 175.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.69 91.77 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 124.347 1.029 . . . . 70.41 111.892 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.88 -28.46 61.57 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 119.326 -0.369 . . . . 65.14 111.56 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 19' ' ' VAL . 83.7 mt -63.43 -42.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 N-CA-C 109.027 -0.731 . . . . 75.24 109.027 173.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 98.9 mttt -52.91 -45.68 67.7 Favored 'General case' 0 C--N 1.36 1.038 0 O-C-N 124.169 0.918 . . . . 75.4 111.185 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.98 -41.05 37.29 Favored 'General case' 0 C--O 1.212 -0.921 0 O-C-N 123.639 0.587 . . . . 75.1 110.637 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.39 -29.14 65.82 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 118.32 0.509 . . . . 74.43 110.967 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.5 mt -78.54 -58.22 3.36 Favored 'General case' 0 C--O 1.218 -0.59 0 C-N-CA 123.11 0.564 . . . . 73.14 109.636 171.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.3 -31.4 72.0 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.162 0.801 . . . . 73.42 113.162 -167.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.6 p -91.71 -41.35 10.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.683 0.793 . . . . 72.35 111.382 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -100.71 -55.08 2.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.818 0.447 . . . . 74.44 111.263 -171.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.5 mm -84.48 -56.63 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.011 0.524 . . . . 74.34 111.673 -166.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -48.62 -51.39 53.19 Favored Pre-proline 0 N--CA 1.484 1.257 0 CA-C-O 117.416 -1.278 . . . . 75.34 112.282 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.508 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 75.5 Cg_exo -52.16 -43.35 53.8 Favored 'Trans proline' 0 C--N 1.409 3.721 0 C-N-CA 122.44 2.094 . . . . 74.23 112.324 176.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -62.84 -48.78 77.59 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.348 1.059 . . . . 73.13 111.512 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 42' ' ' VAL . 8.7 t -69.79 -31.49 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 115.872 -0.604 . . . . 72.14 110.588 -176.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -70.35 -29.71 66.46 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.621 0.768 . . . . 73.2 111.187 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 28.1 mm-40 -68.97 -33.33 73.52 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 121.156 0.503 . . . . 75.54 109.916 171.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -79.97 -19.05 48.81 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.625 -0.716 . . . . 75.41 110.916 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.29 -32.04 4.26 Favored Glycine 0 C--N 1.351 1.414 0 C-N-CA 123.298 0.475 . . . . 74.44 113.274 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.91 -150.17 26.08 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 119.971 -0.35 . . . . 73.35 112.96 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -170.4 158.93 6.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.851 0.86 . . . . 72.14 109.908 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.426 HG13 HG22 ' A' ' 35' ' ' VAL . 34.2 m -117.66 120.35 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 108.318 -0.993 . . . . 75.13 108.318 174.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.05 120.76 61.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 108.032 -1.099 . . . . 74.33 108.032 -178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -68.54 122.42 18.43 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.857 -0.423 . . . . 74.14 109.857 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -111.55 -36.74 5.42 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.365 0.666 . . . . 73.11 112.113 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.03 178.33 48.21 Favored Glycine 0 C--N 1.34 0.761 0 C-N-CA 120.672 -0.775 . . . . 72.51 113.762 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -152.87 109.81 3.48 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 106.67 -1.604 . . . . 74.32 106.67 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -151.93 133.41 14.62 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 123.694 0.797 . . . . 74.21 110.099 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 67.95 19.44 9.41 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.743 1.217 . . . . 74.44 111.068 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.78 90.13 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 116.55 -0.295 . . . . 75.35 112.949 -173.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -101.74 111.07 30.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 C-N-CA 123.529 0.732 . . . . 70.41 109.623 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.528 ' HB ' HG23 ' A' ' 88' ' ' VAL . 14.5 t -79.63 107.65 12.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 N-CA-C 107.939 -1.134 . . . . 74.41 107.939 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -90.13 111.74 22.98 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 109.472 -0.566 . . . . 74.31 109.472 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.83 137.19 54.87 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.232 1.013 . . . . 75.23 110.361 -175.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -88.31 132.41 34.42 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.009 -0.737 . . . . 71.44 109.009 174.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.429 HD13 HG21 ' A' ' 67' ' ' ILE . 47.9 mt -105.73 143.77 33.41 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 108.968 -0.752 . . . . 75.22 108.968 176.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -98.04 172.78 7.4 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.359 0.664 . . . . 75.43 112.167 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.18 164.32 6.41 Favored Glycine 0 C--N 1.361 1.919 0 CA-C-N 114.598 -1.183 . . . . 74.14 113.652 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m 76.93 -49.82 0.55 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 125.248 1.419 . . . . 63.23 110.535 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.4 t -71.46 -42.01 68.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.481 0.713 . . . . 61.32 110.15 172.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.1 p -76.9 -21.03 55.51 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.915 -0.584 . . . . 72.55 112.067 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -59.93 -39.63 86.15 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.488 0.715 . . . . 74.41 111.439 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 p -110.12 122.88 37.54 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 123.298 0.639 . . . . 64.34 109.527 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.46 -28.62 26.47 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 123.182 2.588 . . . . 65.1 113.992 -168.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.5 m -69.72 -35.81 75.34 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.452 0.301 . . . . 72.51 110.591 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.3 t -64.5 -36.5 84.39 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.752 0.821 . . . . 73.11 111.191 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.429 HG21 HD13 ' A' ' 56' ' ' LEU . 67.6 mt -55.98 -52.62 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.803 0.841 . . . . 75.33 110.466 175.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -71.32 -46.41 65.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 114.51 -1.223 . . . . 74.4 110.879 -173.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 m -60.48 -43.22 97.19 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.754 0.821 . . . . 71.35 111.018 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.1 tp -63.87 -53.79 45.08 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 123.826 0.704 . . . . 64.0 109.929 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.82 -36.88 72.85 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 124.297 0.998 . . . . 64.32 111.153 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -71.48 -41.75 68.96 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.426 0.691 . . . . 73.31 110.997 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.01 -44.22 98.09 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 111.806 -0.518 . . . . 71.12 111.806 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.17 -42.08 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 124.42 1.088 . . . . 73.13 109.999 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 32.6 tt0 -59.45 -52.71 64.43 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 123.86 0.864 . . . . 60.14 110.118 -177.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -64.7 -32.58 74.32 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 124.238 0.961 . . . . 73.4 110.781 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 47.8 ttp -66.27 -50.96 61.92 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.375 0.67 . . . . 75.45 110.799 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.547 ' HB3' HG22 ' A' ' 85' ' ' VAL . 90.4 mt -69.39 -30.42 68.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.569 0.748 . . . . 73.43 111.446 -176.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 47.4 mt-30 -77.65 -24.99 49.31 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.843 0.457 . . . . 74.11 110.928 175.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -73.21 -45.67 54.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.189 0.995 . . . . 73.33 110.326 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -81.76 -44.6 16.79 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.926 0.393 . . . . 74.13 111.424 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.1 mt -113.19 121.42 38.05 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.712 0.805 . . . . 73.15 110.283 -169.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -67.43 -26.15 41.11 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.966 2.444 . . . . 74.33 113.195 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -68.74 -31.48 70.57 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.284 0.633 . . . . 73.21 112.19 -174.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.547 HG22 ' HB3' ' A' ' 78' ' ' LEU . 70.7 t -69.69 103.96 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.207 0.527 . . . . 74.3 109.73 178.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.93 -21.13 21.51 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.436 1.094 . . . . 73.12 110.942 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.87 176.67 44.93 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 115.832 -0.622 . . . . 53.54 112.103 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.528 HG23 ' HB ' ' A' ' 52' ' ' VAL . 76.7 t -141.04 138.36 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 107.45 -1.315 . . . . 63.43 107.45 178.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -129.84 146.92 51.56 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.315 0.646 . . . . 72.05 109.787 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -84.24 115.58 22.52 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.198 -1.038 . . . . 75.42 108.198 172.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 CA--C 1.535 0.404 0 C-N-CA 123.414 0.686 . . . . 71.35 109.393 175.126 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.506 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 7.3 p-10 . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 112.846 0.684 . . . . 72.12 112.846 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.08 -49.18 63.53 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 111.703 -0.559 . . . . 71.45 111.703 173.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 23' ' ' ILE . 47.2 t -63.47 -48.02 88.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.636 0.774 . . . . 72.42 109.996 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.506 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 49.9 t -55.71 -43.02 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 125.261 1.424 . . . . 75.45 111.738 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.28 84.51 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.657 0.783 . . . . 63.24 112.008 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.2 ptm -73.57 -26.62 60.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.356 -0.384 . . . . 65.54 111.27 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 19' ' ' VAL . 70.0 mt -64.74 -49.24 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 108.829 -0.804 . . . . 75.33 108.829 172.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -50.88 -46.05 60.3 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.126 0.97 . . . . 64.05 112.056 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.17 -42.41 65.91 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 123.543 0.527 . . . . 72.41 110.298 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -64.61 -26.55 68.45 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.192 0.597 . . . . 74.24 111.162 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.94 -54.26 7.54 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.549 -0.537 . . . . 71.04 109.549 171.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.99 -22.51 64.09 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.57 -0.741 . . . . 74.54 112.079 -169.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.2 p -91.26 -39.05 12.29 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.803 0.841 . . . . 75.04 111.059 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 59.1 mtp180 -109.9 -60.83 1.74 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.824 0.45 . . . . 73.12 112.205 -171.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.7 mm -74.93 -60.81 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 119.066 -0.492 . . . . 73.25 111.163 -165.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -47.18 -51.52 40.98 Favored Pre-proline 0 C--N 1.367 1.336 0 CA-C-O 117.292 -1.337 . . . . 73.32 111.852 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -49.18 -47.04 23.39 Favored 'Trans proline' 0 C--N 1.404 3.459 0 C-N-CA 122.873 2.382 . . . . 75.22 113.818 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 m -63.84 -46.19 86.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.741 0.816 . . . . 75.14 111.125 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.743 HG12 ' SG ' ' A' ' 60' ' ' CYS . 40.5 t -69.77 -33.78 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 123.937 0.895 . . . . 71.21 110.819 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 70.5 mt-30 -64.49 -40.94 96.62 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.863 0.865 . . . . 73.43 110.755 176.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.59 -32.4 72.27 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.823 0.702 . . . . 74.01 111.209 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.61 -23.31 61.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.041 0.536 . . . . 70.21 110.395 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.44 -20.85 5.79 Favored Glycine 0 C--N 1.342 0.882 0 CA-C-N 116.354 -0.384 . . . . 73.35 113.052 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -98.24 -141.68 12.51 Favored Glycine 0 C--N 1.342 0.864 0 CA-C-O 120.079 -0.289 . . . . 63.25 113.487 -178.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -178.73 159.93 1.13 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.773 1.629 . . . . 73.24 108.194 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.74 112.58 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 108.944 -0.762 . . . . 74.52 108.944 175.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.503 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.3 mp -97.54 117.6 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 107.988 -1.116 . . . . 74.41 107.988 -178.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -67.46 112.1 4.46 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.854 0.462 . . . . 73.54 110.059 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -97.6 -32.77 11.62 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.153 0.981 . . . . 71.42 111.471 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.26 -170.48 42.59 Favored Glycine 0 C--N 1.343 0.928 0 C-N-CA 120.767 -0.73 . . . . 74.41 113.796 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -153.43 108.58 3.19 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.949 -1.13 . . . . 72.03 107.949 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -135.28 125.06 25.41 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 108.672 -0.862 . . . . 75.44 108.672 -171.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.4 t70 66.86 24.66 9.71 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.623 1.169 . . . . 74.21 111.029 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.7 11.47 83.95 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 115.716 -0.674 . . . . 55.41 113.031 -175.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.5 mm -108.72 116.62 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 123.547 0.739 . . . . 75.23 109.544 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.457 ' HB ' HG21 ' A' ' 88' ' ' VAL . 16.4 t -80.08 107.84 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.777 0.831 . . . . 74.12 109.463 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -82.69 113.78 20.6 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 109.341 -0.615 . . . . 73.34 109.341 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.9 mt -126.72 140.32 52.48 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.388 1.075 . . . . 72.24 109.787 -177.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.601 ' HZ2' ' NE2' ' A' ' 57' ' ' GLN . 42.2 tttm -93.36 113.15 25.25 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.651 -0.87 . . . . 74.43 108.651 176.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.566 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 18.8 mt -89.18 135.06 33.78 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.367 -0.975 . . . . 71.3 108.367 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.601 ' NE2' ' HZ2' ' A' ' 55' ' ' LYS . 69.3 mm-40 -94.22 177.4 5.97 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.126 0.97 . . . . 74.43 109.526 175.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.8 168.07 1.49 Allowed Glycine 0 C--N 1.356 1.652 0 O-C-N 123.726 0.641 . . . . 73.44 114.513 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.6 m 76.53 -53.13 0.59 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.756 1.622 . . . . 72.44 111.398 -172.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.743 ' SG ' HG12 ' A' ' 35' ' ' VAL . 70.1 m -75.01 -30.88 61.26 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.76 0.824 . . . . 73.23 111.684 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.8 p -78.85 -10.19 59.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.239 0.616 . . . . 73.4 111.959 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 m -66.94 108.91 2.75 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 123.23 0.612 . . . . 75.4 109.865 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 84.2 m 72.97 139.05 0.06 OUTLIER Pre-proline 0 CA--C 1.56 1.361 0 C-N-CA 125.048 1.339 . . . . 73.21 111.469 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -56.6 -35.43 97.16 Favored 'Trans proline' 0 C--N 1.386 2.52 0 C-N-CA 123.177 2.585 . . . . 75.21 113.053 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -60.98 -38.45 86.03 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.224 0.61 . . . . 72.34 112.336 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 m -68.51 -39.74 81.11 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.874 0.47 . . . . 71.14 110.905 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.4 mt -58.32 -47.47 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.149 0.98 . . . . 74.52 110.619 173.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.5 -43.99 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.968 0.907 . . . . 75.12 110.666 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.8 m -64.44 -46.67 82.16 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.25 0.62 . . . . 75.54 111.189 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 56' ' ' LEU . 45.2 tp -62.86 -52.0 64.83 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.896 0.747 . . . . 73.13 109.996 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HG2' ' HB ' ' A' ' 88' ' ' VAL . 1.1 tmmt? -54.66 -42.09 70.92 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.878 1.271 . . . . 72.54 111.593 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -71.48 -38.44 71.23 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.462 0.705 . . . . 75.42 111.646 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.63 -49.65 67.56 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 111.962 -0.455 . . . . 55.15 111.962 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.6 mt -58.31 -48.9 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.585 1.154 . . . . 74.05 110.22 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -55.19 -60.52 3.27 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.56 1.163 . . . . 73.45 111.209 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.414 ' N ' HD21 ' A' ' 76' ' ' ASN . 0.8 OUTLIER -64.31 -33.9 76.9 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.176 0.923 . . . . 73.5 111.5 -173.754 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.472 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 38.5 ttp -62.8 -55.36 27.08 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.791 0.682 . . . . 64.55 109.75 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' HB3' HG21 ' A' ' 85' ' ' VAL . 95.2 mt -60.4 -35.93 76.9 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.674 0.789 . . . . 75.44 111.443 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.28 -29.57 70.66 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.775 0.83 . . . . 72.14 112.114 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -66.51 -35.93 81.46 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.505 0.722 . . . . 75.31 110.682 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -94.96 -29.21 14.76 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.171 0.588 . . . . 70.51 111.244 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.1 mt -131.54 115.53 15.98 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 124.083 0.953 . . . . 73.4 109.874 -166.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.88 -23.96 34.4 Favored 'Trans proline' 0 C--N 1.369 1.654 0 C-N-CA 123.182 2.588 . . . . 63.32 113.01 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -63.07 -38.93 93.13 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 74.41 112.111 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.471 HG21 ' HB3' ' A' ' 78' ' ' LEU . 78.4 t -64.72 98.6 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-O 121.512 0.672 . . . . 70.34 110.867 -177.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -80.28 -39.44 28.84 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.958 -1.019 . . . . 73.15 110.302 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -160.42 -177.66 33.71 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.073 -0.512 . . . . 72.53 112.941 -175.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.457 HG21 ' HB ' ' A' ' 52' ' ' VAL . 73.2 t -135.05 132.44 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.835 1.254 . . . . 73.43 107.67 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -114.54 135.75 53.78 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.422 1.089 . . . . 75.24 109.175 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.566 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 47.5 tt0 -86.26 132.62 33.95 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 109.339 -0.615 . . . . 72.12 109.339 171.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 11.8 m . . . . . 0 CA--C 1.538 0.503 0 C-N-CA 124.903 1.281 . . . . 72.34 108.109 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 119.437 -0.316 . . . . 70.34 111.413 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.9 -49.22 64.15 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.746 0.654 . . . . 72.4 112.077 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 23' ' ' ILE . 84.7 t -60.55 -49.35 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.617 0.767 . . . . 75.22 109.936 175.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.504 HG12 ' HE3' ' A' ' 24' ' ' LYS . 74.8 t -55.5 -45.65 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.411 1.085 . . . . 73.43 111.471 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.76 -40.38 72.68 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.837 0.855 . . . . 73.13 111.795 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.402 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.1 ptm -73.36 -28.51 62.08 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 119.177 -0.44 . . . . 72.02 110.64 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 19' ' ' VAL . 86.9 mt -62.74 -47.4 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 N-CA-C 109.139 -0.689 . . . . 74.42 109.139 170.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.504 ' HE3' HG12 ' A' ' 20' ' ' VAL . 99.7 mttt -51.53 -46.23 63.25 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 124.111 0.882 . . . . 74.42 111.898 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.58 -35.87 52.6 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 119.065 -0.493 . . . . 63.34 110.825 -176.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 22' ' ' MET . 71.6 mt -61.59 -30.55 70.75 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 118.39 0.541 . . . . 75.23 110.446 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.5 mt -72.91 -52.82 13.17 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.494 -0.558 . . . . 74.4 109.494 170.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.28 -27.92 69.67 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.319 1.048 . . . . 71.11 112.975 -170.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.2 p -95.55 -36.39 11.29 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.833 0.853 . . . . 73.4 111.321 -177.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -107.08 -57.5 2.06 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.008 0.523 . . . . 75.43 111.819 -171.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.412 ' O ' HG21 ' A' ' 35' ' ' VAL . 48.7 mm -81.59 -62.63 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 119.286 -0.387 . . . . 74.2 111.223 -167.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 78.7 mtp180 -45.71 -53.58 19.44 Favored Pre-proline 0 C--N 1.364 1.213 0 CA-C-O 117.141 -1.409 . . . . 73.33 112.381 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 80.5 Cg_exo -51.19 -43.32 49.39 Favored 'Trans proline' 0 C--N 1.407 3.636 0 C-N-CA 122.757 2.305 . . . . 64.53 113.018 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -65.95 -42.42 89.99 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.31 1.044 . . . . 65.1 111.202 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.463 HG12 ' SG ' ' A' ' 60' ' ' CYS . 38.3 t -71.26 -32.5 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.69 0.796 . . . . 74.33 110.894 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -69.75 -34.49 73.89 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.459 0.704 . . . . 75.25 110.466 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -69.13 -35.71 76.7 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.547 0.739 . . . . 74.54 110.564 171.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -67.89 -23.55 65.13 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.02 0.928 . . . . 73.52 111.314 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.68 34.29 2.88 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 116.385 -0.37 . . . . 65.14 112.466 175.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.16 -142.14 3.41 Favored Glycine 0 C--N 1.339 0.714 0 N-CA-C 110.587 -1.005 . . . . 72.44 110.587 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -178.32 161.36 1.41 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.627 1.171 . . . . 75.52 108.95 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.406 HG22 ' HG2' ' A' ' 32' ' ' ARG . 27.8 m -126.79 119.97 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.178 -1.045 . . . . 72.14 108.178 175.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -106.1 129.81 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.048 -1.093 . . . . 74.12 108.048 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -69.77 116.31 10.01 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.262 0.351 . . . . 74.4 110.211 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 71.7 mmtt -106.14 -20.44 13.41 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.473 0.709 . . . . 71.44 111.933 -178.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 163.66 -172.4 39.56 Favored Glycine 0 C--N 1.346 1.116 0 C-N-CA 120.732 -0.747 . . . . 45.33 114.332 171.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -148.16 108.35 4.09 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 106.753 -1.573 . . . . 73.31 106.753 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -124.17 104.41 8.83 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.374 -0.973 . . . . 74.42 108.374 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 53.63 59.15 4.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.255 1.022 . . . . 70.32 111.55 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.41 -16.59 33.88 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-N 115.033 -0.985 . . . . 74.51 114.696 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mm -95.01 110.9 24.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 117.026 0.413 . . . . 72.34 110.264 -173.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.436 HG21 HD11 ' A' ' 78' ' ' LEU . 38.7 t -81.01 104.27 9.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.78 -0.822 . . . . 73.14 108.78 178.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -85.98 119.81 26.69 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.151 0.58 . . . . 75.12 109.516 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -129.95 137.8 50.53 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.036 0.935 . . . . 63.53 111.066 -173.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.428 ' HE3' ' NE2' ' A' ' 57' ' ' GLN . 65.0 tttp -88.17 113.96 24.31 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.667 0.787 . . . . 72.04 109.223 173.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.4 mt -89.71 133.78 34.5 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.471 -0.937 . . . . 74.14 108.471 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.428 ' NE2' ' HE3' ' A' ' 55' ' ' LYS . 71.7 mm-40 -92.8 175.3 6.86 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.229 0.612 . . . . 74.02 109.966 178.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.49 162.01 5.43 Favored Glycine 0 C--N 1.357 1.71 0 C-N-CA 124.008 0.813 . . . . 72.42 113.752 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m 75.06 -61.0 0.5 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.584 1.554 . . . . 64.24 110.094 -170.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.463 ' SG ' HG12 ' A' ' 35' ' ' VAL . 33.0 m -63.96 -42.04 97.4 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.477 1.111 . . . . 70.41 111.701 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.6 t -87.45 -6.07 58.56 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.185 0.594 . . . . 72.34 111.649 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.8 m -88.27 -7.61 56.5 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.489 0.716 . . . . 75.31 112.561 -173.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.4 p -143.18 127.69 9.65 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.476 0.71 . . . . 62.43 109.329 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.09 -25.65 77.55 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.992 2.461 . . . . 75.44 112.966 -175.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -60.28 -48.89 79.8 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.29 0.636 . . . . 71.11 110.868 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.5 m -72.17 -34.23 68.31 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.106 -0.497 . . . . 75.01 111.372 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.15 -46.76 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.794 0.438 . . . . 70.23 110.879 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.9 mt -67.33 -52.48 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.784 0.834 . . . . 62.31 110.947 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.4 m -59.52 -46.21 89.5 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.169 0.588 . . . . 64.54 111.115 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.55 -56.44 15.96 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.709 0.804 . . . . 71.11 110.439 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -44.08 75.54 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.285 1.034 . . . . 74.02 111.363 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -67.99 -40.85 83.0 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.538 0.735 . . . . 64.32 111.374 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.08 96.27 Favored Glycine 0 CA--C 1.526 0.737 0 O-C-N 123.135 0.272 . . . . 74.21 112.527 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.71 -41.32 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.346 1.058 . . . . 73.5 109.923 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -62.19 -56.17 21.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.896 0.879 . . . . 65.31 110.744 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -64.81 -26.38 68.32 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.334 0.654 . . . . 75.31 111.901 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.1 ttp -69.1 -60.48 2.33 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.014 -0.365 . . . . 72.42 110.014 174.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.507 ' HB3' HG22 ' A' ' 85' ' ' VAL . 97.1 mt -60.56 -39.9 89.67 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 123.821 0.848 . . . . 72.21 111.571 -175.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 94.1 mt-30 -66.07 -34.18 77.49 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.348 0.659 . . . . 74.02 111.898 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.45 -33.85 75.64 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.674 0.79 . . . . 64.54 110.725 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -101.32 -26.49 13.6 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.546 0.739 . . . . 73.44 111.885 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.6 mt -136.77 99.35 10.35 Favored Pre-proline 0 N--CA 1.483 1.208 0 C-N-CA 124.429 1.092 . . . . 72.45 108.989 -167.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.45 -10.79 29.72 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.831 2.354 . . . . 65.25 113.205 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -65.9 -35.97 82.09 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.331 0.653 . . . . 75.01 110.909 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.507 HG22 ' HB3' ' A' ' 78' ' ' LEU . 98.3 t -68.54 117.23 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.103 0.561 . . . . 74.14 109.783 177.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -98.21 -27.53 14.12 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.514 1.126 . . . . 74.34 110.477 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.81 -179.14 43.35 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.994 -0.548 . . . . 72.25 112.53 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.435 HG23 ' HB ' ' A' ' 52' ' ' VAL . 75.8 t -131.53 138.57 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.508 1.123 . . . . 70.43 108.308 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -122.39 141.55 51.46 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.694 0.797 . . . . 64.21 109.843 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -85.44 112.76 21.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.687 0.795 . . . . 74.4 109.151 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 108.9 -0.778 . . . . 74.44 108.9 171.371 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 111.924 0.342 . . . . 72.32 111.924 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.65 97.23 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 123.654 0.596 . . . . 61.41 113.197 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.05 -48.99 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.658 0.783 . . . . 75.11 109.944 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.439 HG11 ' HE3' ' A' ' 24' ' ' LYS . 89.8 t -55.15 -44.3 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.465 1.106 . . . . 73.11 111.239 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.09 85.57 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.257 1.023 . . . . 74.54 111.604 -175.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.6 ptm -78.58 -22.38 47.2 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.624 -0.262 . . . . 72.32 111.333 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.09 -51.14 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 108.2 -1.037 . . . . 73.4 108.2 168.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.439 ' HE3' HG11 ' A' ' 20' ' ' VAL . 97.8 mttt -53.1 -41.83 65.33 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.372 1.045 . . . . 75.21 111.6 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.52 -42.16 59.38 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 118.795 -0.621 . . . . 64.13 110.399 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.89 -35.02 77.11 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 118.495 0.589 . . . . 62.04 110.866 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.0 mt -66.63 -54.92 18.11 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.537 -0.756 . . . . 70.31 109.986 172.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.49 -31.23 71.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.645 0.778 . . . . 53.15 112.474 -168.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.5 p -91.09 -35.02 14.84 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.532 0.733 . . . . 73.44 111.946 -175.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -105.41 -59.47 1.76 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.803 0.441 . . . . 75.35 111.195 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.9 mm -73.57 -61.2 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 115.504 -0.771 . . . . 72.25 110.324 -164.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -48.13 -50.64 54.21 Favored Pre-proline 0 CA--C 1.559 1.295 0 CA-C-O 116.94 -1.505 . . . . 75.42 112.278 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.45 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 81.1 Cg_exo -49.67 -54.54 5.29 Favored 'Trans proline' 0 C--N 1.411 3.858 0 C-N-CA 122.896 2.397 . . . . 75.0 113.166 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.6 m -60.21 -44.92 94.76 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.236 1.014 . . . . 64.21 111.735 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.581 HG13 ' SG ' ' A' ' 60' ' ' CYS . 64.0 t -68.8 -34.43 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 C-N-CA 124.461 1.104 . . . . 75.13 110.525 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.17 -26.86 59.4 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.341 0.656 . . . . 75.03 111.482 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 15.3 mm-40 -65.56 -34.52 78.43 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.796 0.438 . . . . 74.45 109.858 172.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -80.04 -24.04 40.99 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.408 -0.814 . . . . 74.01 110.445 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.75 -21.15 7.6 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.442 -0.345 . . . . 73.24 113.243 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.58 -162.11 30.99 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 122.832 0.253 . . . . 72.41 113.326 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -169.84 156.43 6.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.23 1.012 . . . . 75.23 108.705 176.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.0 m -121.8 121.54 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 N-CA-C 108.402 -0.962 . . . . 61.31 108.402 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.542 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.8 mp -107.6 117.4 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 107.926 -1.138 . . . . 72.1 107.926 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -67.6 112.39 4.71 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 109.539 -0.541 . . . . 72.41 109.539 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 10.5 mmpt? -95.12 -49.97 5.28 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.871 0.868 . . . . 73.11 111.185 -176.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.5 -174.08 36.91 Favored Glycine 0 C--N 1.345 1.051 0 C-N-CA 121.246 -0.502 . . . . 54.23 113.458 -174.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -158.14 123.28 4.38 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 107.458 -1.312 . . . . 73.11 107.458 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -126.49 111.56 14.55 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.442 -0.577 . . . . 72.35 109.442 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 70.85 -72.59 0.11 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.028 1.331 . . . . 73.34 110.365 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.516 ' HA3' ' HG2' ' A' ' 86' ' ' GLU . . . -147.61 3.57 0.86 Allowed Glycine 0 C--N 1.343 0.951 0 CA-C-N 115.972 -0.558 . . . . 63.13 113.271 174.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.9 mm -91.13 106.46 17.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 N-CA-C 109.335 -0.617 . . . . 74.41 109.335 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.563 ' HB ' HG23 ' A' ' 88' ' ' VAL . 47.6 t -79.09 105.5 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 124.344 1.058 . . . . 72.1 108.651 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.431 ' HB3' HG23 ' A' ' 91' ' ' VAL . 79.3 mt-30 -83.38 116.82 22.65 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.156 0.582 . . . . 74.21 109.735 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.6 mt -124.3 133.99 53.32 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.462 1.105 . . . . 73.33 110.225 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.542 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 64.8 tttp -88.29 109.36 19.9 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.05 -1.092 . . . . 75.24 108.05 171.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.527 HD12 HD22 ' A' ' 70' ' ' LEU . 46.5 mt -88.07 145.22 26.07 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.049 -1.093 . . . . 73.33 108.049 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -99.64 175.68 5.73 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.254 0.622 . . . . 71.41 109.705 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.11 -174.53 4.45 Favored Glycine 0 C--N 1.353 1.491 0 O-C-N 123.684 0.615 . . . . 64.01 113.709 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.6 m 73.51 -60.43 0.53 Allowed 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.504 1.521 . . . . 75.22 111.098 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.581 ' SG ' HG13 ' A' ' 35' ' ' VAL . 57.7 m -75.99 -6.5 51.25 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.205 1.002 . . . . 72.41 112.065 176.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.9 p -125.13 37.82 4.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.922 0.889 . . . . 73.1 110.333 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.3 m -61.88 -32.35 72.71 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.087 0.555 . . . . 72.05 112.379 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 77.4 m -137.94 157.32 73.38 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.016 0.926 . . . . 71.33 109.717 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -49.8 -38.34 46.91 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 123.137 2.558 . . . . 75.04 113.351 171.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t -71.74 -30.86 66.06 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.32 0.648 . . . . 64.03 111.491 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.5 m -63.69 -41.75 98.1 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.663 0.385 . . . . 63.44 110.027 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.45 -51.24 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.217 1.007 . . . . 72.1 110.857 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.59 -46.16 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.997 0.919 . . . . 55.54 110.976 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.5 m -64.83 -45.63 85.33 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.224 0.61 . . . . 71.12 111.033 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.527 HD22 HD12 ' A' ' 56' ' ' LEU . 56.3 tp -62.46 -51.84 65.87 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.441 0.463 . . . . 73.42 110.533 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.4 -44.68 76.4 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.602 1.561 . . . . 65.1 111.266 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -70.4 -39.29 74.58 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.631 0.772 . . . . 70.02 111.45 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.86 -47.93 85.02 Favored Glycine 0 C--N 1.342 0.899 0 N-CA-C 112.033 -0.427 . . . . 74.33 112.033 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.5 mt -60.57 -44.89 97.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 123.92 0.888 . . . . 75.23 109.838 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -58.11 -57.52 12.5 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.585 1.154 . . . . 74.14 111.828 -175.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.54 -28.42 66.0 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 123.762 0.664 . . . . 72.13 111.655 -176.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 32.7 ttp -65.21 -49.6 69.11 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 109.969 -0.382 . . . . 74.51 109.969 173.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.531 ' HB3' HG22 ' A' ' 85' ' ' VAL . 94.7 mt -63.33 -35.11 79.28 Favored 'General case' 0 C--O 1.211 -0.948 0 C-N-CA 123.541 0.736 . . . . 74.11 110.661 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -72.82 -27.98 62.29 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.251 0.62 . . . . 72.42 111.989 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -70.79 -44.74 65.99 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.437 0.695 . . . . 73.34 110.487 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -89.14 -36.52 15.65 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.089 0.556 . . . . 75.33 111.579 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.4 mt -118.84 107.06 42.84 Favored Pre-proline 0 N--CA 1.482 1.158 0 C-N-CA 124.145 0.978 . . . . 74.53 109.197 -174.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -70.37 -6.3 18.58 Favored 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.954 2.436 . . . . 74.34 113.219 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.43 -20.14 57.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.444 0.697 . . . . 71.45 111.501 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.531 HG22 ' HB3' ' A' ' 78' ' ' LEU . 58.6 t -82.62 122.12 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.401 0.68 . . . . 73.45 110.727 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.516 ' HG2' ' HA3' ' A' ' 50' ' ' GLY . 29.5 mm-40 -91.37 -37.78 13.02 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.691 1.196 . . . . 74.11 110.52 172.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.25 -179.86 39.9 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 115.465 -0.789 . . . . 51.14 112.791 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.563 HG23 ' HB ' ' A' ' 52' ' ' VAL . 46.2 t -130.17 132.3 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.847 1.259 . . . . 72.11 108.006 172.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -112.4 138.99 48.35 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.382 -0.599 . . . . 73.12 109.382 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -86.48 116.17 24.45 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.365 -0.976 . . . . 74.33 108.365 170.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.431 HG23 ' HB3' ' A' ' 53' ' ' GLN . 2.5 m . . . . . 0 N--CA 1.47 0.564 0 C-N-CA 123.962 0.905 . . . . 72.31 109.186 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 119.692 -0.194 . . . . 74.41 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.79 -44.7 88.63 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 111.994 -0.442 . . . . 71.11 111.994 173.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.84 -51.88 68.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 123.65 0.78 . . . . 74.13 110.212 174.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.29 -46.59 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.638 1.175 . . . . 71.52 111.592 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.86 -47.43 86.42 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.94 0.896 . . . . 74.42 112.183 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.5 ptm -74.71 -23.8 58.65 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 119.084 -0.484 . . . . 75.41 111.445 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.69 -47.34 86.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.003 0 N-CA-C 108.573 -0.899 . . . . 75.33 108.573 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -56.23 -37.24 69.45 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.803 0.689 . . . . 73.34 111.188 176.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.09 -50.7 45.92 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.504 0.722 . . . . 71.54 110.671 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.47 -31.1 71.78 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.684 0.794 . . . . 75.31 111.147 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.93 -53.2 13.85 Favored 'General case' 0 C--O 1.214 -0.775 0 N-CA-C 109.181 -0.674 . . . . 75.11 109.181 173.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 23.0 t70 -60.26 -48.46 81.65 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.441 0.696 . . . . 74.01 112.512 -170.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.7 p -81.56 -36.23 29.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.485 0.714 . . . . 62.33 112.395 -172.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' NH1' ' HG3' ' A' ' 77' ' ' MET . 7.8 mtp-105 -103.03 -52.71 2.99 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.658 0.383 . . . . 75.43 111.735 -169.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.0 mm -85.59 -57.27 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.411 0.685 . . . . 74.23 111.292 -168.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 52.9 mtp180 -45.32 -55.89 10.71 Favored Pre-proline 0 N--CA 1.483 1.212 0 CA-C-O 117.103 -1.427 . . . . 74.25 112.988 -176.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -60.59 -35.72 88.67 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 122.051 1.834 . . . . 74.44 111.898 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.3 m -65.12 -44.96 87.02 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.182 0.993 . . . . 71.12 111.033 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.1 t -71.79 -26.93 26.52 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 123.958 0.903 . . . . 73.43 110.71 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -79.19 -25.47 42.74 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.297 0.639 . . . . 65.15 110.928 176.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -75.02 -25.89 59.11 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.964 0.506 . . . . 71.22 110.114 168.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -79.31 -21.34 46.08 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.377 172.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.4 -32.13 3.45 Favored Glycine 0 C--N 1.347 1.186 0 CA-C-O 120.053 -0.304 . . . . 75.35 113.52 170.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.4 ' HA3' ' SG ' ' A' ' 60' ' ' CYS . . . -102.52 -137.74 9.72 Favored Glycine 0 C--N 1.344 1.027 0 CA-C-O 119.448 -0.64 . . . . 75.51 112.668 -176.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -173.32 164.84 4.74 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.541 0.736 . . . . 71.21 109.772 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.84 111.97 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 124.228 1.011 . . . . 73.32 108.978 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.486 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 2.0 mp -99.24 119.79 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.142 -1.059 . . . . 62.2 108.142 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -74.06 107.16 6.1 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.103 -0.703 . . . . 74.13 109.103 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -89.25 -42.27 11.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.488 -0.778 . . . . 73.15 110.559 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.52 -175.91 43.33 Favored Glycine 0 C--N 1.347 1.174 0 C-N-CA 120.668 -0.777 . . . . 72.2 114.464 -177.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -155.99 108.07 2.58 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.338 1.455 . . . . 75.21 107.111 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -143.28 134.82 26.32 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 107.579 -1.267 . . . . 74.34 107.579 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 62.75 29.01 16.73 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.275 1.03 . . . . 73.13 110.534 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.67 -1.14 68.19 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 115.321 -0.854 . . . . 73.52 113.69 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.8 mm -95.94 108.66 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 123.838 0.855 . . . . 74.02 109.096 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.554 HG21 HD13 ' A' ' 78' ' ' LEU . 41.9 t -79.14 102.69 5.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 108.455 -0.943 . . . . 74.33 108.455 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -86.07 110.78 19.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 109.621 -0.511 . . . . 74.43 109.621 -174.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -119.1 134.29 55.29 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 124.386 1.075 . . . . 73.44 110.319 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.486 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 84.5 tttt -88.29 123.72 33.18 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 123.966 0.906 . . . . 75.32 109.019 172.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.416 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 38.6 mt -95.56 139.29 32.04 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.012 -0.736 . . . . 74.42 109.012 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -95.6 172.47 8.04 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.328 0.651 . . . . 73.43 111.199 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.17 154.33 15.33 Favored Glycine 0 C--N 1.359 1.848 0 O-C-N 124.137 0.898 . . . . 63.52 113.703 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.8 m 77.26 -30.97 0.17 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.838 1.655 . . . . 73.21 112.34 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.4 ' SG ' ' HA3' ' A' ' 40' ' ' GLY . 57.5 m -91.13 -37.93 13.07 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.653 0.781 . . . . 72.25 110.375 174.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.4 t -93.86 0.03 55.99 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.61 -0.723 . . . . 75.35 112.087 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.6 m -63.97 -44.09 93.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.831 0.452 . . . . 74.13 111.059 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 33.5 m -101.76 118.74 58.91 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.532 0.733 . . . . 73.05 109.806 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -51.22 -33.27 43.96 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 123.022 2.481 . . . . 71.14 113.176 170.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 m -56.54 -47.01 80.32 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.869 0.868 . . . . 74.02 110.796 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.4 t -68.0 -36.64 80.32 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 114.934 -1.03 . . . . 64.21 110.923 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.0 -46.96 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 123.937 0.773 . . . . 72.42 110.569 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.05 -50.75 79.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.786 0.834 . . . . 75.33 110.497 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.6 m -64.92 -40.62 95.33 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.571 0.749 . . . . 53.23 111.565 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.17 -52.24 50.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.184 0.594 . . . . 71.04 109.967 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.95 -42.77 85.66 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.467 1.107 . . . . 73.32 111.455 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -68.11 -41.94 81.04 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.246 0.618 . . . . 64.02 111.138 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.43 -43.53 99.21 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 112.091 -0.404 . . . . 63.14 112.091 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.31 -35.92 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.794 0.838 . . . . 74.42 110.176 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.453 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 58.1 tt0 -61.84 -58.43 8.0 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 122.96 0.504 . . . . 75.13 110.283 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -59.56 -31.27 69.28 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.631 0.773 . . . . 71.45 111.786 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.428 ' HG3' ' NH1' ' A' ' 30' ' ' ARG . 19.0 tmm? -66.8 -54.64 20.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.173 0.589 . . . . 75.43 110.673 175.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.554 HD13 HG21 ' A' ' 52' ' ' VAL . 76.6 mt -68.32 -27.59 66.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.54 0.736 . . . . 75.2 111.791 -177.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -79.84 -21.94 43.57 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.738 0.815 . . . . 75.44 111.259 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -69.88 -48.13 59.9 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.21 0.604 . . . . 74.41 109.823 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.79 -34.37 22.78 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.689 -0.687 . . . . 62.22 111.784 -176.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.7 mt -131.92 118.3 16.44 Favored Pre-proline 0 N--CA 1.485 1.288 0 C-N-CA 124.01 0.924 . . . . 72.42 109.976 -170.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -78.33 -10.13 16.23 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 122.635 2.223 . . . . 64.3 113.37 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.3 -30.6 64.95 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.2 0.6 . . . . 72.11 111.344 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.502 HG23 ' HB3' ' A' ' 78' ' ' LEU . 86.6 t -67.47 103.2 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.826 0.85 . . . . 75.33 110.643 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -70.47 -32.85 70.56 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.929 0.892 . . . . 73.13 111.175 172.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.453 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 179.8 -173.02 44.74 Favored Glycine 0 CA--C 1.504 -0.65 0 CA-C-N 116.067 -0.515 . . . . 75.01 112.545 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.471 HG21 ' HB ' ' A' ' 52' ' ' VAL . 74.5 t -127.6 144.29 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.036 1.334 . . . . 64.4 107.424 175.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -130.18 141.25 50.68 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.995 -0.743 . . . . 75.25 108.995 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.416 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 47.3 tt0 -83.85 115.49 22.28 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.722 -1.214 . . . . 74.32 107.722 169.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 108.413 -0.958 . . . . 74.11 108.413 168.635 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.583 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 36.9 t70 . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 111.403 0.149 . . . . 75.25 111.403 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.45 -42.52 89.1 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 111.346 -0.702 . . . . 72.11 111.346 170.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 23' ' ' ILE . 89.4 t -64.92 -50.97 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.352 0.661 . . . . 72.54 109.697 172.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.583 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 54.8 t -54.38 -41.51 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.706 1.202 . . . . 71.02 111.561 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.87 -44.54 76.84 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.746 0.818 . . . . 71.22 111.436 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.78 -22.92 59.67 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.424 -0.353 . . . . 73.22 111.25 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 19' ' ' VAL . 73.4 mt -68.69 -50.02 59.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 108.421 -0.955 . . . . 74.45 108.421 170.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.04 -40.21 66.88 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.638 0.775 . . . . 71.12 111.22 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.07 -51.49 53.87 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 124.063 0.852 . . . . 70.24 110.573 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.68 -35.42 77.94 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 123.864 0.727 . . . . 71.54 111.053 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.49 -53.97 16.52 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 109.87 -0.418 . . . . 71.22 109.87 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.4 -38.82 91.13 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.872 0.869 . . . . 72.53 112.386 -168.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.1 p -86.29 -36.55 19.26 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.977 -0.556 . . . . 73.2 112.208 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -103.36 -58.02 1.94 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.205 0.602 . . . . 75.42 111.446 -170.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.407 HD11 ' SD ' ' A' ' 77' ' ' MET . 50.9 mm -83.78 -48.04 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 116.204 -0.453 . . . . 73.54 111.171 -166.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -53.07 -53.05 59.79 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-O 117.43 -1.271 . . . . 73.32 111.875 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.488 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 50.0 Cg_exo -55.18 -41.93 73.77 Favored 'Trans proline' 0 C--N 1.404 3.471 0 C-N-CA 122.346 2.03 . . . . 71.22 112.325 178.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.6 m -59.68 -50.76 72.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.811 0.845 . . . . 75.34 111.36 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.499 HG12 ' SG ' ' A' ' 60' ' ' CYS . 38.3 t -71.74 -26.25 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 123.154 0.582 . . . . 62.54 111.052 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -72.88 -30.89 64.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.784 0.434 . . . . 74.24 110.543 173.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 22.6 mm-40 -74.0 -27.08 60.79 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.004 0.522 . . . . 75.53 110.352 172.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.81 -21.4 57.37 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.809 0.844 . . . . 71.12 110.041 170.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.56 -16.43 24.03 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 116.148 -0.478 . . . . 72.14 113.393 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.79 -145.81 19.83 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 112.302 -0.319 . . . . 71.43 112.302 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -171.71 158.85 5.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.247 1.019 . . . . 72.23 109.339 173.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.9 m -115.94 115.68 49.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 N-CA-C 108.194 -1.039 . . . . 74.22 108.194 174.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.415 ' N ' HD13 ' A' ' 43' ' ' ILE . 3.1 mp -107.99 119.98 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 107.847 -1.168 . . . . 73.33 107.847 -175.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -69.5 113.79 7.13 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 109.639 -0.504 . . . . 73.32 109.639 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -102.34 -29.25 11.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.063 0.945 . . . . 74.25 111.782 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.98 -171.31 42.89 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 120.759 -0.734 . . . . 71.23 114.391 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -150.29 110.7 4.21 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 106.633 -1.617 . . . . 75.35 106.633 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -131.17 131.94 44.4 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.329 -0.989 . . . . 72.5 108.329 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 77.08 -33.41 0.2 Allowed 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 125.413 1.485 . . . . 75.03 113.213 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.84 -5.74 3.12 Favored Glycine 0 N--CA 1.472 1.034 0 N-CA-C 110.781 -0.928 . . . . 71.14 110.781 -166.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.82 124.4 50.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 C-N-CA 124.031 0.932 . . . . 75.0 109.406 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.568 ' HB ' HG21 ' A' ' 88' ' ' VAL . 44.8 t -84.99 113.82 24.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 108.493 -0.928 . . . . 75.34 108.493 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -91.01 115.7 28.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.305 0.642 . . . . 72.43 109.738 -176.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.9 mt -128.22 137.13 51.9 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.476 1.11 . . . . 75.33 110.202 -175.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.37 130.74 34.53 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.886 -0.783 . . . . 70.23 108.886 172.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.7 mt -103.25 143.46 32.61 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 108.307 -0.997 . . . . 70.4 108.307 173.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -95.11 175.34 6.66 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.163 0.585 . . . . 75.43 110.566 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.44 65.82 3.93 Favored Glycine 0 C--N 1.352 1.45 0 N-CA-C 115.028 0.771 . . . . 74.25 115.028 -169.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.9 m -148.7 -51.98 0.17 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.383 -1.34 . . . . 74.11 107.383 171.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.565 ' SG ' HD21 ' A' ' 70' ' ' LEU . 55.8 m -69.48 -40.27 77.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.518 0.727 . . . . 62.52 109.916 170.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.537 ' HA ' HG12 ' A' ' 67' ' ' ILE . 13.2 m -74.09 -16.58 61.02 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.402 -1.272 . . . . 74.33 111.784 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.3 m -72.41 -9.99 59.22 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.634 0.774 . . . . 73.31 112.955 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.8 m -136.65 118.94 11.63 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 123.532 0.733 . . . . 71.32 109.574 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.33 -44.64 45.14 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 124.032 3.155 . . . . 64.41 115.047 -172.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.3 t -73.21 -35.38 66.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.373 0.269 . . . . 65.13 110.903 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.0 m -64.14 -30.9 71.94 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.138 0.575 . . . . 71.32 111.826 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.537 HG12 ' HA ' ' A' ' 61' ' ' THR . 70.6 mt -58.44 -55.35 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.89 0.876 . . . . 75.32 110.227 171.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.87 -42.8 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 114.633 -1.167 . . . . 72.34 110.389 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.7 m -67.16 -43.37 82.41 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 123.829 0.706 . . . . 74.33 111.128 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.565 HD21 ' SG ' ' A' ' 60' ' ' CYS . 58.8 tp -65.05 -49.26 70.82 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.344 0.402 . . . . 63.55 109.967 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -55.57 -43.37 75.86 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 124.25 0.969 . . . . 74.32 110.758 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -73.46 -34.56 65.45 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.587 0.755 . . . . 72.01 111.899 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.81 91.8 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 112.162 -0.375 . . . . 62.44 112.162 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.19 -41.61 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.22 1.008 . . . . 75.31 109.778 174.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -59.46 -47.73 84.38 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 124.314 1.046 . . . . 71.33 110.206 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -64.68 -37.5 87.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.522 0.729 . . . . 73.41 111.161 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.407 ' SD ' HD11 ' A' ' 31' ' ' ILE . 41.0 ttp -65.7 -53.91 34.54 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.958 0.408 . . . . 60.45 110.548 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.528 ' HB3' HG21 ' A' ' 85' ' ' VAL . 93.0 mt -65.69 -30.53 71.23 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.241 -0.89 . . . . 72.34 111.765 -177.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -74.59 -35.18 63.0 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.905 0.482 . . . . 72.44 110.812 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -61.43 -45.44 94.32 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.468 0.707 . . . . 71.53 110.306 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.28 -58.94 2.48 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.804 -0.634 . . . . 75.13 110.711 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.7 mt -97.44 122.03 56.75 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.035 0.934 . . . . 75.35 110.333 -172.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -75.54 -20.53 15.74 Favored 'Trans proline' 0 C--N 1.37 1.663 0 C-N-CA 122.572 2.181 . . . . 73.12 112.672 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.16 -25.24 63.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.451 0.701 . . . . 74.14 112.306 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.528 HG21 ' HB3' ' A' ' 78' ' ' LEU . 91.4 t -72.9 96.8 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 109.516 -0.55 . . . . 64.45 109.516 175.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -69.98 -33.96 72.75 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.744 -0.662 . . . . 75.22 110.092 170.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.3 -173.79 39.21 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.68 -0.691 . . . . 74.41 113.444 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.568 HG21 ' HB ' ' A' ' 52' ' ' VAL . 78.5 t -132.47 149.27 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.982 1.313 . . . . 74.51 108.352 175.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -136.74 150.53 48.46 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.426 0.69 . . . . 71.53 110.311 177.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -88.07 118.19 27.47 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.175 0.99 . . . . 75.35 109.923 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.475 0.824 0 C-N-CA 123.667 0.787 . . . . 64.25 109.265 176.363 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 119.354 -0.355 . . . . 73.24 111.516 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.15 -48.68 24.61 Favored Glycine 0 C--N 1.353 1.482 0 O-C-N 123.065 0.228 . . . . 74.23 112.778 -176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.03 -45.92 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.418 0.687 . . . . 74.03 109.505 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 68.8 t -56.86 -44.09 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 124.08 0.952 . . . . 73.42 111.142 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.22 78.46 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.712 0.805 . . . . 73.04 111.63 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.1 ptm -74.86 -27.41 60.25 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-O 119.228 -0.415 . . . . 74.54 110.881 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.1 -48.85 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 108.628 -0.878 . . . . 70.21 108.628 171.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 97.3 mttt -56.45 -41.89 77.23 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.862 0.726 . . . . 72.3 111.938 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.0 -43.78 64.52 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 109.468 -0.567 . . . . 75.32 109.468 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.59 -30.14 70.49 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.481 0.713 . . . . 74.21 110.778 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.96 -57.12 4.27 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 122.936 0.494 . . . . 74.05 109.767 172.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.32 -32.66 74.35 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.846 0.858 . . . . 64.41 112.821 -168.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 80.4 p -91.45 -28.58 17.54 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.661 0.785 . . . . 73.03 111.685 -174.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -116.17 -58.37 2.11 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.934 0.493 . . . . 75.14 111.518 -170.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.424 ' O ' HG22 ' A' ' 35' ' ' VAL . 45.4 mm -77.22 -58.42 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.315 0.646 . . . . 75.41 111.434 -170.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -48.31 -48.48 65.74 Favored Pre-proline 0 N--CA 1.482 1.173 0 CA-C-O 117.425 -1.274 . . . . 72.43 112.749 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.489 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 80.9 Cg_exo -48.51 -51.91 9.43 Favored 'Trans proline' 0 C--N 1.399 3.189 0 C-N-CA 122.376 2.051 . . . . 71.34 112.58 173.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.7 m -59.92 -44.82 94.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.148 0.979 . . . . 74.43 112.35 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 31' ' ' ILE . 4.2 t -71.06 -31.64 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 122.752 0.421 . . . . 74.41 110.574 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -73.88 -27.47 61.08 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.177 0.591 . . . . 75.24 111.194 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 19.7 mm-40 -70.81 -37.69 73.25 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 108.91 -0.774 . . . . 74.54 108.91 171.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.57 -21.98 62.63 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.273 1.029 . . . . 73.2 111.469 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.88 -18.08 9.9 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 119.902 -0.388 . . . . 73.24 113.587 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.0 -145.05 14.79 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 116.982 0.391 . . . . 64.41 112.787 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -172.17 165.08 6.08 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.243 1.017 . . . . 75.54 109.579 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.403 HG12 HG21 ' A' ' 35' ' ' VAL . 27.7 m -125.71 125.15 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.917 0.887 . . . . 74.21 109.018 175.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.547 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -110.17 125.81 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.71 -0.848 . . . . 64.12 108.71 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -65.64 113.74 4.45 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 122.828 0.451 . . . . 75.5 110.65 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HD2' ' HB2' ' A' ' 55' ' ' LYS . 9.3 mmpt? -93.53 -41.28 9.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.677 0.791 . . . . 74.44 110.993 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.54 -176.51 46.83 Favored Glycine 0 C--N 1.344 0.984 0 O-C-N 123.61 0.569 . . . . 64.21 113.355 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -155.02 118.51 4.5 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.713 1.205 . . . . 70.01 107.977 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -147.66 144.25 28.23 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.098 0.559 . . . . 75.55 109.745 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.8 t70 66.3 -82.75 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.804 1.241 . . . . 75.43 109.623 -172.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.27 13.18 0.24 Allowed Glycine 0 C--N 1.338 0.684 0 N-CA-C 110.817 -0.913 . . . . 74.13 110.817 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.1 mm -106.15 117.22 51.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 C-N-CA 123.504 0.722 . . . . 70.42 109.528 -173.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.51 ' HB ' HG22 ' A' ' 88' ' ' VAL . 21.2 t -86.34 109.4 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.515 -0.92 . . . . 70.3 108.515 176.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -85.51 122.14 29.21 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.362 -0.977 . . . . 74.2 108.362 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.1 mt -131.48 140.01 49.46 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.248 0.619 . . . . 73.33 110.541 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.547 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 77.4 tttt -87.65 121.83 30.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.998 -1.001 . . . . 71.43 109.077 174.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.09 146.65 23.49 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.119 -1.067 . . . . 65.33 108.119 170.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -91.11 161.99 14.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.966 0.506 . . . . 74.44 110.455 -178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.403 ' HA2' ' OG1' ' A' ' 61' ' ' THR . . . -73.75 67.35 1.66 Allowed Glycine 0 C--N 1.352 1.449 0 O-C-N 124.461 1.101 . . . . 65.41 113.094 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.6 m -156.75 -59.06 0.09 Allowed 'General case' 0 C--O 1.234 0.258 0 N-CA-C 106.714 -1.587 . . . . 73.22 106.714 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 37.4 t -69.84 -36.6 75.71 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.582 -0.735 . . . . 72.21 110.601 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.403 ' OG1' ' HA2' ' A' ' 58' ' ' GLY . 34.8 p -63.48 -27.07 69.02 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.812 0.845 . . . . 63.53 112.037 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.1 m -61.6 -22.35 65.14 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.024 0.93 . . . . 73.42 112.527 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 81.6 m -124.47 112.79 27.65 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 123.972 0.909 . . . . 73.14 109.224 175.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.91 -28.08 86.41 Favored 'Trans proline' 0 C--N 1.381 2.239 0 C-N-CA 123.073 2.515 . . . . 74.11 113.248 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 t -73.15 -32.42 64.86 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.814 0.446 . . . . 72.53 110.557 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.1 m -66.22 -36.58 83.41 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.518 0.327 . . . . 74.44 110.483 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.68 -50.42 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.704 0.802 . . . . 74.32 110.538 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.64 -50.86 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.318 0.647 . . . . 73.34 110.755 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 m -60.63 -45.42 94.12 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.553 0.741 . . . . 63.23 111.587 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.423 ' O ' HG13 ' A' ' 74' ' ' ILE . 34.5 tp -63.98 -53.47 49.66 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.729 0.643 . . . . 74.54 110.227 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -56.82 -41.97 78.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.062 0.945 . . . . 74.1 111.142 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.26 -43.2 87.18 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.309 0.644 . . . . 64.32 111.563 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.49 -44.51 97.49 Favored Glycine 0 C--N 1.346 1.097 0 O-C-N 123.513 0.508 . . . . 54.42 112.038 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 70' ' ' LEU . 71.6 mt -64.02 -47.49 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.664 0.786 . . . . 73.31 109.93 177.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.32 -51.73 68.57 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.26 0.975 . . . . 74.4 110.975 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.43 -34.6 78.32 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 124.11 0.881 . . . . 44.15 111.334 -176.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 34.9 ttp -65.79 -52.08 53.74 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.54 0.525 . . . . 72.21 110.54 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.536 ' HB3' HG21 ' A' ' 85' ' ' VAL . 91.2 mt -62.4 -38.26 88.95 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.628 0.771 . . . . 65.44 111.004 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 70.9 mt-30 -65.44 -37.7 87.69 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.337 0.655 . . . . 71.54 111.286 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -63.04 -31.43 72.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.739 0.816 . . . . 64.54 111.433 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -105.76 -21.81 13.09 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.293 0.637 . . . . 73.35 111.974 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.8 mt -133.81 108.78 11.87 Favored Pre-proline 0 N--CA 1.488 1.472 0 C-N-CA 123.774 0.83 . . . . 75.41 109.782 -173.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -70.86 -11.77 29.87 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 122.661 2.241 . . . . 74.53 113.304 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.22 -35.54 78.1 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.478 0.711 . . . . 71.35 110.846 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.536 HG21 ' HB3' ' A' ' 78' ' ' LEU . 85.0 t -69.03 105.02 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.86 -0.609 . . . . 72.45 109.845 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -84.19 -30.16 26.01 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.099 0.96 . . . . 64.32 110.727 170.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.22 -173.01 37.93 Favored Glycine 0 C--N 1.348 1.22 0 CA-C-N 116.33 -0.396 . . . . 45.44 113.488 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.51 HG22 ' HB ' ' A' ' 52' ' ' VAL . 55.3 t -137.57 133.21 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.892 1.277 . . . . 75.14 108.75 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -107.11 137.31 45.41 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.138 0.975 . . . . 63.11 109.397 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -85.86 128.97 34.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.579 -0.897 . . . . 75.55 108.579 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 3.5 m . . . . . 0 N--CA 1.473 0.705 0 C-N-CA 125.216 1.407 . . . . 74.4 107.27 166.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.563 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 6.6 p-10 . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 112.018 0.377 . . . . 74.34 112.018 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.43 -46.29 20.57 Favored Glycine 0 C--N 1.353 1.498 0 N-CA-C 111.044 -0.823 . . . . 72.41 111.044 166.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.476 HG13 HD13 ' A' ' 82' ' ' ILE . 57.2 t -58.85 -49.73 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.674 0.79 . . . . 75.22 109.905 172.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.563 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 41.9 t -59.38 -43.76 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.978 1.311 . . . . 74.33 111.631 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.61 90.72 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.337 0.655 . . . . 72.23 111.994 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.7 ptm -74.46 -24.55 59.06 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 119.299 -0.381 . . . . 72.11 111.036 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 19' ' ' VAL . 82.0 mt -64.08 -50.94 74.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.113 0 N-CA-C 108.8 -0.815 . . . . 72.45 108.8 170.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -52.49 -41.65 63.59 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 124.067 0.854 . . . . 73.14 111.25 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.18 -51.86 58.5 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.107 0.88 . . . . 62.24 110.779 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.1 mt -58.63 -33.91 70.58 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.782 0.833 . . . . 64.11 111.379 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -69.29 -56.35 7.81 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.88 -0.6 . . . . 73.44 109.831 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.21 -34.06 77.48 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.739 0.816 . . . . 53.31 112.14 -167.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -86.27 -49.29 7.8 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.282 0.633 . . . . 70.1 111.565 -176.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mtp-105 -91.83 -59.19 2.18 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.5 0.32 . . . . 73.45 111.384 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 35' ' ' VAL . 44.9 mm -75.93 -60.33 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-O 118.644 -0.693 . . . . 73.12 111.598 -163.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.44 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 74.8 mtp180 -45.78 -53.16 21.53 Favored Pre-proline 0 N--CA 1.489 1.506 0 CA-C-O 117.366 -1.302 . . . . 74.5 112.327 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.44 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 78.5 Cg_exo -51.95 -45.0 41.48 Favored 'Trans proline' 0 C--N 1.404 3.479 0 C-N-CA 122.965 2.444 . . . . 72.41 113.342 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.1 m -60.55 -47.67 85.16 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.213 1.005 . . . . 74.11 111.672 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 31' ' ' ILE . 15.3 t -69.08 -31.5 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 115.263 -0.881 . . . . 72.3 110.625 -177.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -71.36 -23.9 61.99 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.6 0.76 . . . . 75.43 111.584 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.53 -36.43 82.68 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.862 -0.421 . . . . 63.21 109.862 172.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -77.63 -23.43 49.76 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.376 -0.829 . . . . 73.21 110.683 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.51 -3.53 29.4 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 116.218 -0.446 . . . . 53.12 113.177 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.86 -158.52 33.12 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 112.182 -0.367 . . . . 64.03 112.182 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -173.33 160.19 3.92 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.171 0.988 . . . . 73.3 108.966 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 m -123.76 125.14 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 109.195 -0.669 . . . . 70.45 109.195 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.487 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.5 mp -113.84 127.61 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 107.852 -1.166 . . . . 70.32 107.852 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -67.97 119.04 11.96 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 110.162 -0.31 . . . . 74.44 110.162 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.52 ' HG3' HG23 ' A' ' 91' ' ' VAL . 10.9 mmpt? -99.44 -45.51 5.81 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.493 0.717 . . . . 75.2 110.557 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.97 -172.98 44.55 Favored Glycine 0 C--N 1.34 0.797 0 C-N-CA 121.341 -0.457 . . . . 61.52 113.866 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -153.97 115.26 4.12 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 106.334 -1.728 . . . . 75.42 106.334 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.89 134.67 15.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.045 0.538 . . . . 75.22 110.161 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.74 24.6 14.67 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.628 1.171 . . . . 72.43 111.113 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.3 -1.27 88.63 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 115.976 -0.556 . . . . 63.22 113.721 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mm -96.24 110.77 25.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 C-N-CA 123.859 0.864 . . . . 74.31 109.718 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.487 HG21 HD11 ' A' ' 78' ' ' LEU . 38.3 t -79.84 104.34 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 108.161 -1.051 . . . . 64.23 108.161 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.481 ' HB3' HG22 ' A' ' 91' ' ' VAL . 73.6 mt-30 -88.41 122.73 32.23 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 109.254 -0.647 . . . . 74.33 109.254 -175.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.8 mt -131.36 142.6 50.1 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.924 0.89 . . . . 61.42 111.597 -172.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.487 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 86.3 tttt -89.41 116.54 27.68 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.015 0.926 . . . . 75.45 109.611 176.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.2 mt -92.76 146.15 23.86 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.251 -0.648 . . . . 74.22 109.251 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -102.28 176.12 5.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.116 0.567 . . . . 75.24 110.666 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.91 166.63 2.66 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 123.957 0.786 . . . . 64.34 114.955 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.2 t 77.07 -57.04 0.53 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.709 1.604 . . . . 71.25 110.658 -173.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.459 ' SG ' HG13 ' A' ' 35' ' ' VAL . 58.5 m -62.96 -40.07 96.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.464 0.706 . . . . 73.14 110.68 173.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.3 p -80.46 -11.25 59.7 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.348 -0.842 . . . . 63.23 112.572 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.5 m -66.62 -29.42 69.46 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.036 0.534 . . . . 71.12 111.436 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 72.9 m -122.32 121.82 27.65 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 123.639 0.775 . . . . 73.5 110.243 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.75 -39.04 85.24 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.25 2.634 . . . . 71.24 112.335 173.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 p -63.02 -36.75 84.6 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.988 0.915 . . . . 74.41 111.503 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.6 m -71.77 -34.81 69.76 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.061 0.545 . . . . 62.35 110.987 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.29 -46.3 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.305 0.642 . . . . 73.34 109.963 173.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.25 -54.2 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.077 0.951 . . . . 72.41 110.846 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.3 m -59.07 -45.11 91.63 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.954 0.902 . . . . 74.43 111.226 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.71 -50.11 70.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.289 0.635 . . . . 73.23 110.64 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.35 -37.81 70.53 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.348 1.059 . . . . 72.32 111.185 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -69.82 -41.42 75.03 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.906 0.883 . . . . 72.3 111.746 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.61 -45.58 95.52 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.897 -0.481 . . . . 73.2 111.897 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.62 -42.84 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.241 1.016 . . . . 74.05 110.233 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.423 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 34.6 tt0 -56.48 -60.4 3.58 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.731 0.813 . . . . 70.52 110.675 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -60.04 -36.83 78.16 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.49 0.716 . . . . 73.2 111.809 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.6 ttp -58.41 -58.45 8.44 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 123.5 0.5 . . . . 75.24 109.808 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.55 ' HB3' HG21 ' A' ' 85' ' ' VAL . 95.3 mt -63.94 -31.35 72.51 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.683 0.793 . . . . 72.13 111.7 -177.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -76.14 -23.47 54.82 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.798 0.839 . . . . 72.22 112.149 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -69.01 -45.99 69.13 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.617 0.573 . . . . 75.22 109.846 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -86.09 -37.67 18.59 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.664 -0.698 . . . . 73.15 110.798 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.476 HD13 HG13 ' A' ' 19' ' ' VAL . 45.7 mt -124.34 107.89 29.68 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 124.117 0.967 . . . . 74.41 109.766 -170.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.11 -4.69 15.83 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.546 2.164 . . . . 61.34 113.21 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -78.39 -12.74 60.02 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.005 0.522 . . . . 74.12 111.304 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.55 HG21 ' HB3' ' A' ' 78' ' ' LEU . 99.3 t -84.38 104.58 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 109.761 -0.459 . . . . 72.33 109.761 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.32 -35.95 66.15 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.031 0.932 . . . . 74.23 110.569 171.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.423 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -179.58 -170.53 41.45 Favored Glycine 0 C--N 1.34 0.776 0 CA-C-N 115.858 -0.61 . . . . 73.51 112.513 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 73.1 t -130.99 149.32 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.108 1.363 . . . . 71.32 108.673 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -137.96 149.78 46.45 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.309 0.643 . . . . 75.14 110.337 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -85.53 127.67 34.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.835 0.854 . . . . 75.2 109.205 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.52 HG23 ' HG3' ' A' ' 45' ' ' LYS . 2.6 m . . . . . 0 N--CA 1.481 1.091 0 C-N-CA 125.286 1.434 . . . . 74.52 108.569 173.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 119.72 -0.181 . . . . 74.41 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.39 -40.81 79.54 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.909 0.755 . . . . 73.13 112.528 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.46 ' O ' HG13 ' A' ' 23' ' ' ILE . 55.5 t -63.09 -50.57 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.294 0.638 . . . . 75.13 109.646 173.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.465 HG13 ' HE3' ' A' ' 24' ' ' LYS . 98.2 t -57.9 -42.02 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.193 0.997 . . . . 75.23 110.846 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.16 83.64 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.854 0.862 . . . . 65.13 111.289 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.5 ptm -74.37 -24.84 59.21 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 119.096 -0.478 . . . . 62.44 110.8 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 19' ' ' VAL . 78.8 mt -62.83 -48.27 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 N-CA-C 108.579 -0.897 . . . . 75.11 108.579 171.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HE3' HG13 ' A' ' 20' ' ' VAL . 97.9 mttt -55.92 -41.72 74.99 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.012 0.82 . . . . 74.14 111.986 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.78 -42.6 63.78 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 110.051 -0.352 . . . . 75.14 110.051 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' HB3' ' HE1' ' A' ' 77' ' ' MET . 89.3 mt -63.3 -32.11 73.43 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.727 0.811 . . . . 74.54 110.967 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.16 -56.85 8.19 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 108.945 -0.761 . . . . 75.04 108.945 171.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.06 -31.77 72.98 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.453 0.701 . . . . 72.15 112.845 -170.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.3 p -92.17 -37.9 12.45 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.747 0.819 . . . . 72.22 111.925 -174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -106.96 -57.55 2.05 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.847 0.459 . . . . 72.04 112.138 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.46 ' O ' HG22 ' A' ' 35' ' ' VAL . 51.2 mm -75.99 -63.79 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 122.724 0.41 . . . . 74.22 111.306 -167.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -43.73 -50.92 17.62 Favored Pre-proline 0 CA--C 1.56 1.363 0 CA-C-O 117.375 -1.298 . . . . 72.42 113.429 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.95 -46.68 32.17 Favored 'Trans proline' 0 C--N 1.397 3.105 0 C-N-CA 122.614 2.209 . . . . 73.01 113.219 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -61.81 -43.37 98.98 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.937 0.895 . . . . 74.44 111.578 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.471 HG23 HD12 ' A' ' 70' ' ' LEU . 9.7 t -72.5 -30.04 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.319 0.648 . . . . 65.22 110.738 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -74.35 -25.87 59.78 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.401 0.68 . . . . 72.41 110.882 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.43 -32.37 62.62 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.237 0.615 . . . . 64.11 109.643 169.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -76.06 -21.02 57.23 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.372 -0.831 . . . . 74.55 111.084 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.42 -26.04 5.84 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 116.473 -0.331 . . . . 70.25 113.248 172.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.401 ' HA3' ' SG ' ' A' ' 60' ' ' CYS . . . -105.44 -142.45 11.2 Favored Glycine 0 N--CA 1.472 1.061 0 CA-C-N 116.851 0.325 . . . . 63.13 112.852 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -174.2 164.65 4.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.212 1.005 . . . . 72.12 109.233 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.07 124.22 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 109.026 -0.731 . . . . 75.42 109.026 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.2 mp -106.71 124.66 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.331 -0.989 . . . . 72.12 108.331 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.79 107.62 3.58 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 123.618 0.573 . . . . 71.23 110.05 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -98.65 -34.41 10.57 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.736 0.814 . . . . 74.31 111.326 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.04 -176.94 47.25 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 115.165 0.826 . . . . 74.25 115.165 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -156.73 109.43 2.55 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 125.24 1.416 . . . . 73.11 107.32 176.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -141.89 131.26 23.66 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.117 -1.068 . . . . 73.34 108.117 -176.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 63.3 23.47 13.81 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.393 1.077 . . . . 72.13 110.727 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.489 ' HA3' ' HG2' ' A' ' 86' ' ' GLU . . . 81.1 6.45 89.41 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 115.891 -0.595 . . . . 71.13 113.538 -176.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.6 mm -100.95 115.64 42.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 123.637 0.775 . . . . 73.21 109.556 -177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.572 ' HB ' HG21 ' A' ' 88' ' ' VAL . 32.2 t -82.38 110.61 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 123.919 0.888 . . . . 75.43 109.257 -178.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -88.9 120.3 30.18 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.119 0.568 . . . . 74.42 109.492 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.1 mt -129.23 143.8 50.99 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.629 0.772 . . . . 75.23 110.363 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.529 ' HE3' ' NE2' ' A' ' 57' ' ' GLN . 55.7 tttp -90.15 125.74 35.56 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.827 -0.805 . . . . 71.0 108.827 169.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.8 mt -94.54 139.46 31.14 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.323 -0.992 . . . . 72.13 108.323 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.529 ' NE2' ' HE3' ' A' ' 55' ' ' LYS . 71.4 mm-40 -94.75 169.03 10.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.143 0.577 . . . . 71.54 110.99 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.51 151.27 32.78 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 115.462 -0.79 . . . . 74.24 112.784 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.5 m 72.56 9.49 5.69 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.234 1.414 . . . . 71.11 111.858 -171.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.401 ' SG ' ' HA3' ' A' ' 40' ' ' GLY . 67.9 m -137.28 -37.53 0.63 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.353 1.061 . . . . 73.12 109.395 175.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -96.69 3.11 52.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.566 0.747 . . . . 65.43 111.401 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.1 m -74.4 -39.44 62.67 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.056 0.542 . . . . 73.02 110.891 -176.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 82.5 m -107.11 122.54 41.15 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 123.642 0.777 . . . . 73.24 109.507 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.35 -33.71 92.3 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.489 2.793 . . . . 74.45 113.394 178.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.7 m -59.83 -45.65 91.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.381 0.672 . . . . 74.22 110.683 175.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.8 m -67.29 -34.69 77.93 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.173 -0.921 . . . . 73.33 111.1 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.2 -51.45 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.349 0.659 . . . . 72.34 110.515 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.02 -51.68 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.529 0.731 . . . . 75.24 110.81 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.8 m -59.84 -46.84 88.01 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.857 0.863 . . . . 75.11 111.146 -177.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.471 HD12 HG23 ' A' ' 35' ' ' VAL . 46.0 tp -62.56 -53.26 57.3 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.749 0.656 . . . . 73.44 110.239 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.34 -39.5 76.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.379 1.072 . . . . 75.03 111.698 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -67.69 -38.95 84.4 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.499 0.72 . . . . 75.44 111.263 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.73 -47.24 85.5 Favored Glycine 0 C--N 1.348 1.195 0 O-C-N 123.48 0.488 . . . . 65.24 112.082 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 70' ' ' LEU . 57.4 mt -60.15 -43.93 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.04 0.936 . . . . 74.41 109.863 176.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.447 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 9.1 tt0 -58.65 -57.62 12.2 Favored 'General case' 0 C--O 1.22 -0.473 0 O-C-N 124.424 1.077 . . . . 72.43 111.06 -178.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -27.01 67.13 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.319 0.647 . . . . 64.22 111.667 -175.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.438 ' HE1' ' HB3' ' A' ' 26' ' ' LEU . 15.0 tmm? -69.93 -53.07 19.53 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.704 -0.48 . . . . 74.23 109.704 174.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.547 ' HB3' HG21 ' A' ' 85' ' ' VAL . 75.1 mt -62.91 -28.46 70.07 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.617 0.767 . . . . 72.31 111.684 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.5 mt-30 -78.55 -31.13 47.29 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.627 0.771 . . . . 74.33 111.189 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -64.65 -41.64 95.98 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.158 0.583 . . . . 74.24 110.183 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -86.13 -34.29 20.64 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.642 0.777 . . . . 71.32 111.536 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.402 HG22 HG11 ' A' ' 19' ' ' VAL . 16.2 mt -132.18 119.16 16.49 Favored Pre-proline 0 N--CA 1.49 1.531 0 C-N-CA 123.104 0.561 . . . . 71.23 110.411 -170.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.72 -5.13 15.18 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.595 2.197 . . . . 74.02 113.091 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.1 -23.64 38.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.906 0.882 . . . . 73.13 111.22 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' A' ' 78' ' ' LEU . 86.5 t -74.83 103.13 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 109.075 -0.713 . . . . 65.12 109.075 176.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.489 ' HG2' ' HA3' ' A' ' 50' ' ' GLY . 8.6 mm-40 -77.48 -27.01 51.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.783 0.833 . . . . 72.0 109.859 174.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.447 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 179.11 -171.16 43.13 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 116.004 -0.544 . . . . 65.44 113.212 176.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.572 HG21 ' HB ' ' A' ' 52' ' ' VAL . 76.8 t -131.49 136.49 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 125.309 1.444 . . . . 71.34 107.877 174.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -120.77 144.55 48.23 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.227 0.611 . . . . 73.34 110.06 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -85.51 116.59 23.9 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.292 -0.633 . . . . 71.14 109.292 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 9.0 m . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 107.393 -1.336 . . . . 74.52 107.393 164.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 118.832 -0.604 . . . . 75.52 112.218 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.27 -36.09 10.08 Favored Glycine 0 C--N 1.365 2.148 0 N-CA-C 115.639 1.015 . . . . 71.03 115.639 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 23' ' ' ILE . 59.9 t -59.23 -58.21 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.33 0.652 . . . . 72.13 110.066 172.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.512 HG12 ' HE3' ' A' ' 24' ' ' LYS . 64.7 t -60.63 -33.72 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.838 1.255 . . . . 61.25 110.953 -178.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.42 -44.64 67.5 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.599 1.16 . . . . 71.34 110.692 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.486 ' HG3' HD12 ' A' ' 82' ' ' ILE . 26.9 ptm -74.48 -25.04 59.13 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.612 -0.709 . . . . 74.24 110.979 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 19' ' ' VAL . 83.5 mt -62.39 -49.36 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 109.357 -0.608 . . . . 74.35 109.357 173.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HE3' HG12 ' A' ' 20' ' ' VAL . 79.7 mttt -49.48 -44.8 46.19 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.165 0.986 . . . . 71.32 111.389 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.0 -53.9 15.62 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.874 -1.057 . . . . 72.02 111.613 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.77 -37.06 70.56 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.331 1.052 . . . . 70.13 111.205 -176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.54 -57.37 7.42 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.764 -0.653 . . . . 74.14 110.584 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.87 -36.23 83.24 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.332 0.653 . . . . 75.03 112.422 -168.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.8 p -85.4 -45.44 11.87 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.958 -0.564 . . . . 74.45 111.405 -176.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -95.66 -58.28 2.15 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.581 0.352 . . . . 75.44 111.804 -173.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.4 mm -78.54 -58.41 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 118.949 -0.548 . . . . 75.04 111.616 -164.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -45.56 -54.52 15.11 Favored Pre-proline 0 C--N 1.367 1.369 0 CA-C-O 117.011 -1.471 . . . . 75.14 112.511 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.488 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 53.0 Cg_exo -55.43 -42.29 69.57 Favored 'Trans proline' 0 C--N 1.408 3.662 0 C-N-CA 122.514 2.143 . . . . 71.42 112.493 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.5 m -61.65 -48.28 81.55 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.341 1.056 . . . . 74.01 111.621 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 31' ' ' ILE . 11.6 t -69.34 -32.99 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.335 0.654 . . . . 73.11 110.471 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -67.56 -30.7 70.4 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.601 0.76 . . . . 74.23 110.828 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 18.2 mm-40 -70.09 -31.94 69.76 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.501 0.32 . . . . 51.52 111.105 174.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.6 -21.84 51.75 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.471 0.709 . . . . 72.14 110.401 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.19 -16.47 15.19 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-O 119.965 -0.353 . . . . 55.33 112.948 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.77 -158.28 33.73 Favored Glycine 0 C--N 1.351 1.395 0 C-N-CA 122.952 0.31 . . . . 72.42 112.83 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -173.16 159.34 3.85 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.311 1.044 . . . . 74.12 108.816 175.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.29 113.62 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 N-CA-C 108.358 -0.978 . . . . 74.31 108.358 177.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.542 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.6 mp -106.84 114.54 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 107.174 -1.417 . . . . 61.34 107.174 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.503 ' HH ' HG11 ' A' ' 20' ' ' VAL . 30.2 t80 -66.12 109.13 2.48 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.007 0.523 . . . . 71.54 110.168 -174.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.537 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 11.0 mmpt? -94.47 -42.55 8.79 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.614 0.766 . . . . 75.33 110.824 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.28 -179.31 47.52 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 121.01 -0.614 . . . . 70.52 114.11 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -160.3 122.85 3.32 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.208 -1.405 . . . . 74.34 107.208 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.78 138.24 32.13 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 108.926 -0.768 . . . . 75.32 108.926 173.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 62.64 -82.36 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.057 1.343 . . . . 72.44 110.611 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.63 4.65 0.79 Allowed Glycine 0 C--N 1.348 1.203 0 CA-C-O 120.191 -0.227 . . . . 62.44 113.241 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.9 mm -104.22 117.87 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 122.908 0.483 . . . . 73.52 109.99 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.498 HG21 HD13 ' A' ' 78' ' ' LEU . 42.2 t -89.37 105.24 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.256 1.022 . . . . 72.13 108.667 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -86.23 116.7 24.58 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 109.857 -0.423 . . . . 74.41 109.857 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.4 mt -122.86 145.44 48.44 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.39 1.076 . . . . 71.2 110.289 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.542 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 81.9 tttt -89.65 106.97 18.81 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.439 -0.948 . . . . 75.31 108.439 174.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.6 mt -90.42 126.71 35.98 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.815 -1.18 . . . . 75.41 107.815 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -92.55 173.31 7.85 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.37 0.668 . . . . 75.3 110.867 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.23 169.5 13.73 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-N 115.78 -0.646 . . . . 74.43 113.907 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m 75.22 -49.23 0.64 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 126.234 1.814 . . . . 65.21 111.587 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.711 ' SG ' HD22 ' A' ' 70' ' ' LEU . 53.1 t -70.99 -35.09 71.95 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.858 0.463 . . . . 73.34 110.931 174.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.4 p -92.55 27.2 2.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.475 0.71 . . . . 73.24 111.661 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.0 p -65.69 -36.63 84.17 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.081 0.953 . . . . 74.12 111.806 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.8 p -141.41 143.89 31.81 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 123.586 0.754 . . . . 75.11 109.822 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HA ' HD13 ' A' ' 67' ' ' ILE . 54.1 Cg_exo -54.03 -29.23 53.88 Favored 'Trans proline' 0 C--N 1.391 2.765 0 C-N-CA 123.681 2.921 . . . . 73.5 113.859 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 p -60.86 -49.28 78.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.488 0.715 . . . . 75.43 110.74 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -68.22 -33.07 73.74 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.241 0.616 . . . . 63.32 112.239 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 64' ' ' PRO . 69.7 mt -62.32 -51.75 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.783 0.833 . . . . 74.44 110.807 176.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.8 mt -68.14 -39.65 81.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.801 0.841 . . . . 75.35 111.133 -178.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.8 m -65.67 -37.74 87.34 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.24 0.616 . . . . 74.24 111.104 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.711 HD22 ' SG ' ' A' ' 60' ' ' CYS . 56.1 tp -68.83 -47.17 66.69 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 109.792 -0.447 . . . . 74.24 109.792 175.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.95 -33.24 68.63 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.662 1.185 . . . . 74.45 111.474 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -82.15 -35.82 28.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.222 1.009 . . . . 74.12 111.204 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.42 -49.96 66.09 Favored Glycine 0 N--CA 1.469 0.869 0 CA-C-O 121.142 0.301 . . . . 74.3 112.464 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.7 mt -62.75 -41.77 93.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 124.322 1.049 . . . . 74.31 110.158 175.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.489 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 8.6 tt0 -53.36 -58.78 5.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.451 1.1 . . . . 60.13 110.821 177.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -61.57 -34.99 76.54 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.643 0.777 . . . . 75.31 112.17 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -67.14 -50.56 60.86 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.932 0.493 . . . . 63.41 109.844 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HB3' HG22 ' A' ' 85' ' ' VAL . 89.3 mt -64.53 -30.88 71.91 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.721 0.808 . . . . 74.45 111.534 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.7 mt-30 -74.6 -36.12 62.97 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.496 0.718 . . . . 72.43 111.02 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -58.43 -41.79 85.81 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.868 0.867 . . . . 73.11 110.292 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -88.49 -35.36 17.05 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.61 -0.723 . . . . 72.33 111.779 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.486 HD12 ' HG3' ' A' ' 22' ' ' MET . 26.3 mt -130.38 109.76 16.33 Favored Pre-proline 0 N--CA 1.486 1.368 0 C-N-CA 123.77 0.828 . . . . 71.31 109.923 -168.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.02 -3.14 13.12 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 122.664 2.243 . . . . 75.2 113.309 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -79.34 -26.05 42.18 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.572 0.749 . . . . 72.23 111.049 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.517 HG22 ' HB3' ' A' ' 78' ' ' LEU . 95.9 t -74.85 109.78 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.146 0.578 . . . . 64.45 109.543 176.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.76 -27.81 26.64 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.397 0.679 . . . . 74.22 110.564 171.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.489 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -175.77 -177.01 44.48 Favored Glycine 0 C--N 1.344 0.985 0 CA-C-N 116.222 -0.445 . . . . 61.2 113.405 -177.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.483 HG21 ' HB ' ' A' ' 52' ' ' VAL . 62.2 t -128.18 153.3 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 125.944 1.698 . . . . 72.5 107.392 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -142.83 143.02 31.96 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.426 0.69 . . . . 71.42 109.302 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -85.18 132.89 34.22 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.07 0.462 . . . . 64.12 110.597 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 3.8 m . . . . . 0 N--CA 1.474 0.766 0 C-N-CA 125.425 1.49 . . . . 64.33 108.284 171.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 111.217 0.08 . . . . 75.32 111.217 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.8 -38.83 96.07 Favored Glycine 0 C--N 1.349 1.257 0 N-CA-C 111.164 -0.775 . . . . 71.45 111.164 169.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.0 -48.59 87.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 123.455 0.702 . . . . 62.35 109.93 172.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.408 HG13 ' OH ' ' A' ' 44' ' ' TYR . 55.0 t -55.97 -43.58 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.78 0.832 . . . . 73.11 111.565 178.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.6 80.72 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.452 0.701 . . . . 72.11 111.874 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.425 ' HG3' HD12 ' A' ' 82' ' ' ILE . 26.7 ptm -75.53 -23.04 56.6 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.619 -0.264 . . . . 73.03 110.922 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.9 -46.1 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 108.635 -0.876 . . . . 71.3 108.635 169.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -56.92 -42.6 80.28 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.601 0.76 . . . . 74.11 111.729 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -69.11 -46.0 68.79 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 109.457 -0.571 . . . . 62.43 109.457 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' HB3' ' HE1' ' A' ' 77' ' ' MET . 89.7 mt -63.43 -31.91 73.21 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 123.189 0.596 . . . . 72.44 111.507 -177.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.44 -56.52 6.42 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.002 -0.545 . . . . 74.15 109.624 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.58 -36.21 82.08 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.892 0.477 . . . . 75.33 111.636 -168.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.8 p -83.13 -39.64 20.82 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.098 0.559 . . . . 73.0 111.544 -175.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -105.3 -58.13 1.94 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.833 0.453 . . . . 72.43 111.371 -172.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 35' ' ' VAL . 47.9 mm -75.57 -59.95 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 115.864 -0.607 . . . . 62.31 110.666 -164.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.44 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 69.6 mtp180 -46.78 -52.71 30.27 Favored Pre-proline 0 N--CA 1.487 1.376 0 CA-C-O 117.403 -1.284 . . . . 75.51 112.479 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.44 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 64.0 Cg_exo -53.96 -43.75 55.39 Favored 'Trans proline' 0 C--N 1.394 2.967 0 C-N-CA 122.58 2.186 . . . . 74.51 113.201 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -60.74 -45.55 93.85 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.671 0.788 . . . . 62.24 111.214 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 31' ' ' ILE . 22.0 t -72.86 -29.64 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.311 0.644 . . . . 75.11 111.042 -178.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 76.2 mt-30 -71.69 -38.01 70.64 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.269 0.628 . . . . 64.21 110.513 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.07 -42.2 97.08 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.356 0.662 . . . . 74.5 109.86 170.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.1 -22.11 66.9 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.444 1.098 . . . . 74.32 111.505 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.35 -30.88 3.23 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-O 119.907 -0.385 . . . . 74.31 112.815 171.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -105.35 -137.92 9.17 Favored Glycine 0 C--N 1.342 0.885 0 CA-C-N 116.821 0.311 . . . . 74.34 113.291 -175.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -174.01 159.05 3.24 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 124.631 1.172 . . . . 75.51 108.525 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.8 m -120.75 124.5 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.513 -0.921 . . . . 73.43 108.513 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.3 mp -114.18 122.75 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.173 -1.047 . . . . 75.1 108.173 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.408 ' OH ' HG13 ' A' ' 20' ' ' VAL . 85.3 t80 -67.97 113.45 5.68 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.362 0.665 . . . . 74.2 109.91 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 11.4 mmpt? -94.28 -41.66 9.34 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.223 0.609 . . . . 75.33 110.582 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.08 -178.45 48.28 Favored Glycine 0 C--N 1.351 1.388 0 C-N-CA 120.805 -0.712 . . . . 43.31 114.353 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -156.11 112.66 3.12 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.38 -1.341 . . . . 71.52 107.38 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -129.33 142.65 50.77 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 107.82 -1.178 . . . . 70.35 107.82 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 62.08 -84.93 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.47 1.108 . . . . 63.33 109.665 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.58 9.9 0.41 Allowed Glycine 0 C--N 1.338 0.694 0 C-N-CA 123.736 0.684 . . . . 75.13 112.061 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.4 mm -99.49 117.23 44.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 123.403 0.681 . . . . 75.22 109.448 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.526 ' HB ' HG23 ' A' ' 88' ' ' VAL . 21.5 t -85.88 108.37 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 108.478 -0.934 . . . . 75.35 108.478 176.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -84.77 114.74 22.28 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.522 -0.547 . . . . 73.24 109.522 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.54 135.28 53.04 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.3 1.04 . . . . 75.31 110.306 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -88.64 131.82 34.82 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.813 0.845 . . . . 64.51 108.834 173.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 41.4 mt -101.21 141.43 34.11 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.695 -0.483 . . . . 73.43 109.695 175.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -97.05 174.9 6.52 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.802 0.841 . . . . 74.55 110.275 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.24 159.97 7.81 Favored Glycine 0 C--N 1.361 1.921 0 O-C-N 124.199 0.937 . . . . 64.42 113.832 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.3 m 76.39 -57.1 0.56 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 125.705 1.602 . . . . 54.54 110.286 -169.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.5 m -68.83 -38.62 79.98 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.692 0.797 . . . . 75.13 111.859 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.449 ' HA ' HG12 ' A' ' 67' ' ' ILE . 8.3 t -95.69 4.26 53.17 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.208 0.603 . . . . 70.33 111.39 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -76.82 -46.44 24.88 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 122.93 0.492 . . . . 74.33 111.514 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.6 p -112.74 128.51 25.48 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 123.934 0.894 . . . . 74.44 109.862 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -54.38 -25.59 40.21 Favored 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.797 2.998 . . . . 74.44 114.385 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 t -58.16 -48.23 80.93 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 123.823 0.849 . . . . 75.13 110.434 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -72.83 -37.02 67.59 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.31 -0.859 . . . . 75.44 111.287 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.449 HG12 ' HA ' ' A' ' 61' ' ' THR . 66.9 mt -57.6 -55.25 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 123.86 0.864 . . . . 74.43 111.726 -178.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.7 mt -67.71 -49.13 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 115.436 -0.802 . . . . 72.2 110.739 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.1 m -66.36 -35.8 81.28 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.15 0.58 . . . . 63.51 112.182 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' O ' HG13 ' A' ' 74' ' ' ILE . 40.5 tp -65.58 -53.93 34.97 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.384 -0.598 . . . . 72.33 109.384 176.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -55.01 -40.25 69.95 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 124.22 0.95 . . . . 71.33 111.791 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -71.01 -42.64 69.33 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.336 0.655 . . . . 75.33 111.147 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.85 -45.3 96.03 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 112.34 -0.304 . . . . 72.43 112.34 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 70' ' ' LEU . 64.1 mt -60.77 -44.52 97.57 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 C-N-CA 124.23 1.012 . . . . 75.23 109.831 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -57.67 -54.4 47.32 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.414 1.071 . . . . 72.52 111.009 -177.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -64.22 -33.4 75.71 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.438 0.461 . . . . 73.43 111.73 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.47 ' HE1' ' HB3' ' A' ' 26' ' ' LEU . 15.6 tmm? -67.92 -45.81 73.31 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.886 0.374 . . . . 71.01 110.529 176.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.535 ' HB3' HG22 ' A' ' 85' ' ' VAL . 81.8 mt -67.12 -29.06 68.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.386 0.674 . . . . 72.21 111.437 177.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.7 mt-30 -81.59 -23.8 36.88 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.589 0.756 . . . . 65.05 111.625 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.28 -39.57 93.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.01 0.924 . . . . 74.22 109.91 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -91.73 -43.85 9.33 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.994 -1.003 . . . . 73.33 111.903 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.425 HD12 ' HG3' ' A' ' 22' ' ' MET . 33.2 mt -125.18 108.45 27.39 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 123.542 0.737 . . . . 73.31 109.953 -167.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.79 -12.73 35.3 Favored 'Trans proline' 0 C--N 1.369 1.61 0 C-N-CA 122.65 2.234 . . . . 73.44 112.682 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -70.05 -26.25 63.94 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.484 0.714 . . . . 63.25 110.815 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.535 HG22 ' HB3' ' A' ' 78' ' ' LEU . 91.8 t -71.1 101.34 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 108.388 -0.968 . . . . 75.42 108.388 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -85.0 -26.33 27.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.019 -0.991 . . . . 73.32 110.324 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.11 178.88 46.69 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 115.711 -0.677 . . . . 62.22 112.263 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.526 HG23 ' HB ' ' A' ' 52' ' ' VAL . 74.1 t -131.91 146.65 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.739 1.216 . . . . 74.34 108.058 174.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -127.26 143.2 51.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.164 0.586 . . . . 64.31 110.062 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.406 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 45.3 tt0 -84.26 117.18 23.38 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 108.04 -1.096 . . . . 74.2 108.04 170.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.242 0.663 0 CA-C-O 121.624 0.726 . . . . 64.12 109.972 177.097 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 CA--C 1.539 0.535 0 CA-C-O 119.37 -0.348 . . . . 62.31 111.515 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.96 -56.18 6.65 Favored Glycine 0 C--N 1.354 1.552 0 N-CA-C 112.094 -0.403 . . . . 71.23 112.094 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.93 -44.26 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.593 0.757 . . . . 72.43 110.43 174.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.42 HG11 ' HE3' ' A' ' 24' ' ' LYS . 73.7 t -60.78 -43.17 94.74 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 123.85 0.86 . . . . 73.44 111.481 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.58 87.73 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.128 0.571 . . . . 74.21 111.721 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.0 ptm -76.25 -26.19 55.73 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 111.636 0.235 . . . . 75.5 111.636 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 85.0 mt -65.76 -49.43 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.578 -0.897 . . . . 72.31 108.578 169.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HE3' HG11 ' A' ' 20' ' ' VAL . 98.3 mttt -54.08 -42.13 68.97 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.068 0.947 . . . . 73.23 112.008 179.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -73.36 -41.85 62.92 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-O 119.005 -0.521 . . . . 65.2 110.385 -177.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.66 -32.8 73.93 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 122.962 0.505 . . . . 73.43 111.471 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 77.7 mt -68.88 -54.53 15.11 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.878 -0.601 . . . . 71.51 109.526 172.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -63.51 -29.29 70.58 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.556 1.142 . . . . 74.3 112.793 -171.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -90.44 -46.7 8.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.288 0.635 . . . . 53.53 111.674 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 26.1 mtp180 -98.93 -56.09 2.53 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.766 0.426 . . . . 72.53 111.28 -173.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -76.19 -61.77 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 118.962 -0.542 . . . . 73.43 110.983 -164.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -49.17 -49.62 68.62 Favored Pre-proline 0 CA--C 1.557 1.248 0 CA-C-O 117.399 -1.286 . . . . 75.33 113.342 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.436 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 66.1 Cg_exo -54.02 -46.82 30.74 Favored 'Trans proline' 0 C--N 1.399 3.203 0 C-N-CA 122.128 1.886 . . . . 63.31 112.592 176.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.8 m -64.22 -43.38 95.15 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.074 0.95 . . . . 62.44 111.75 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.526 HG13 ' SG ' ' A' ' 60' ' ' CYS . 61.6 t -74.52 -32.03 29.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 123.922 0.889 . . . . 74.14 111.233 -176.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.0 -22.68 52.73 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.157 0.583 . . . . 73.13 111.148 176.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 26.4 mm-40 -78.34 -31.07 48.48 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.371 -0.603 . . . . 72.33 109.371 169.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -72.42 -24.15 61.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.378 0.671 . . . . 71.33 110.454 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.41 -19.75 6.67 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 116.424 -0.353 . . . . 70.42 113.394 174.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.23 -145.92 16.08 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-O 120.129 -0.262 . . . . 64.31 113.289 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -172.39 162.01 5.3 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.905 1.282 . . . . 72.23 108.726 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.9 m -120.76 122.04 66.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 N-CA-C 108.076 -1.083 . . . . 75.01 108.076 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.7 mp -106.51 123.32 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 107.339 -1.356 . . . . 72.34 107.339 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -67.62 119.88 13.1 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 109.561 -0.533 . . . . 75.2 109.561 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.711 ' HA ' ' HZ1' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -109.21 -43.57 4.12 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.543 0.737 . . . . 74.42 111.486 -174.526 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.89 178.93 41.48 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 114.277 0.471 . . . . 71.31 114.277 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -157.78 112.96 2.72 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.868 1.267 . . . . 73.12 107.978 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -126.63 104.48 8.13 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.89 -0.411 . . . . 63.24 109.89 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 65.04 10.27 6.16 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.434 1.093 . . . . 72.42 112.875 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.79 -17.03 6.44 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-O 120.105 -0.275 . . . . 71.03 113.627 -176.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.8 mm -86.92 101.54 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 109.325 -0.62 . . . . 73.51 109.325 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.454 HG23 HD12 ' A' ' 78' ' ' LEU . 50.5 t -78.71 116.23 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.242 1.017 . . . . 72.13 108.45 177.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -105.2 120.11 40.71 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.793 -0.447 . . . . 74.2 109.793 -174.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.4 mt -126.81 143.76 51.16 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.817 1.247 . . . . 74.14 109.889 -173.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . 87.7 tttt -87.22 105.78 17.45 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.984 -1.117 . . . . 73.31 107.984 173.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.6 mt -86.75 126.42 34.58 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.71 -1.218 . . . . 75.22 107.71 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -94.39 168.07 11.12 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.316 0.646 . . . . 61.11 111.161 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.54 161.75 9.1 Favored Glycine 0 C--N 1.36 1.881 0 O-C-N 124.192 0.932 . . . . 64.22 113.969 -178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.6 t 78.16 -41.74 0.33 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 125.895 1.678 . . . . 65.51 111.385 -172.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.526 ' SG ' HG13 ' A' ' 35' ' ' VAL . 58.2 m -85.47 -13.25 49.74 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.506 0.722 . . . . 72.14 111.561 176.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.8 p -107.16 24.57 12.61 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.275 1.03 . . . . 75.03 111.86 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -67.29 92.38 0.28 Allowed 'General case' 0 CA--C 1.546 0.825 0 O-C-N 123.466 0.479 . . . . 74.45 110.32 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 59.6 m 74.69 152.61 0.14 Allowed Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 125.266 1.426 . . . . 72.24 111.074 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -53.14 -26.05 31.71 Favored 'Trans proline' 0 C--N 1.394 2.948 0 C-N-CA 123.381 2.721 . . . . 75.5 114.35 -177.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.8 t -58.47 -57.42 13.02 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.275 0.63 . . . . 71.41 110.677 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -62.19 -35.71 79.68 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.328 0.651 . . . . 71.03 112.132 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.22 -54.51 33.92 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 C-N-CA 123.941 0.896 . . . . 75.31 111.111 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.6 mt -69.19 -37.12 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 123.736 0.814 . . . . 74.3 111.219 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.1 m -66.67 -42.6 86.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.387 0.675 . . . . 73.32 111.03 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.32 -46.78 82.04 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.775 0.672 . . . . 70.01 109.646 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.43 -40.3 78.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.382 1.473 . . . . 73.33 111.052 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -76.65 -33.98 58.29 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.681 0.792 . . . . 62.54 111.71 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.04 -45.5 95.97 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.521 -0.632 . . . . 74.14 111.521 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.81 -39.26 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 C-N-CA 124.245 1.018 . . . . 74.14 110.0 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.528 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 33.0 tt0 -56.64 -61.5 2.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.375 1.07 . . . . 74.24 111.122 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -66.94 -30.13 70.18 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 123.522 0.514 . . . . 64.25 111.727 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.443 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 35.1 ttp -64.04 -51.98 61.6 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 110.055 -0.35 . . . . 72.44 110.055 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.515 ' HB3' HG21 ' A' ' 85' ' ' VAL . 96.4 mt -65.3 -39.03 91.97 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 123.341 0.657 . . . . 75.02 111.233 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -67.51 -30.86 70.64 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.454 0.701 . . . . 74.54 111.947 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.25 -46.11 90.3 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.657 0.783 . . . . 63.42 110.229 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -87.75 -34.67 18.26 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.05 0.54 . . . . 61.31 111.607 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mt -123.13 107.68 32.7 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.7 1.2 . . . . 73.32 108.843 -168.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.66 -4.03 14.78 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 122.389 2.06 . . . . 71.2 112.455 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -78.36 -27.62 46.98 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.669 0.788 . . . . 74.45 111.278 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' A' ' 78' ' ' LEU . 99.4 t -73.11 117.51 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 C-N-CA 123.287 0.635 . . . . 74.55 110.692 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -83.89 -35.09 24.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.926 1.29 . . . . 72.55 110.285 173.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.528 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 178.7 -167.46 37.87 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 115.562 -0.745 . . . . 74.45 112.106 -178.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.403 HG21 ' HB ' ' A' ' 52' ' ' VAL . 87.5 t -131.19 161.28 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 N-CA-C 107.849 -1.167 . . . . 74.34 107.849 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.28 145.84 31.42 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.36 0.664 . . . . 72.53 109.39 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -84.02 119.26 24.72 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.46 -0.941 . . . . 53.53 108.46 170.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.455 HG23 ' HG3' ' A' ' 45' ' ' LYS . 5.2 m . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 108.647 -0.872 . . . . 75.34 108.647 170.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 119.523 -0.275 . . . . 72.11 111.106 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.23 -34.22 88.48 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 123.372 0.42 . . . . 72.34 112.882 171.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 23' ' ' ILE . 95.3 t -60.29 -51.08 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.181 0.592 . . . . 75.33 109.625 171.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.499 HG13 ' HE3' ' A' ' 24' ' ' LYS . 90.3 t -58.6 -40.81 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 124.394 1.078 . . . . 73.31 110.852 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.04 82.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.872 0.869 . . . . 74.14 111.593 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.527 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.6 ptm -79.19 -22.65 44.63 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 119.357 -0.354 . . . . 72.12 111.41 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 19' ' ' VAL . 89.2 mt -67.81 -41.06 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 108.999 -0.741 . . . . 73.13 108.999 170.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.499 ' HE3' HG13 ' A' ' 20' ' ' VAL . 99.5 mttt -52.5 -44.0 65.4 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.387 0.675 . . . . 75.33 111.679 177.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.54 -38.72 54.62 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 119.046 -0.502 . . . . 64.31 110.178 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 -28.85 70.29 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 118.401 0.546 . . . . 74.21 111.502 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.03 -55.59 6.3 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 109.06 -0.719 . . . . 75.14 109.06 171.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.84 -32.02 73.52 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.353 0.661 . . . . 64.44 112.31 -168.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -86.87 -38.22 16.96 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.385 0.674 . . . . 70.21 111.338 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 22.9 mtp-105 -108.42 -58.46 1.99 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 111.847 0.314 . . . . 75.25 111.847 -173.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 35' ' ' VAL . 47.8 mm -76.69 -58.3 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.117 0.567 . . . . 74.1 111.751 -166.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -48.59 -50.49 58.88 Favored Pre-proline 0 CA--C 1.56 1.353 0 CA-C-O 117.481 -1.247 . . . . 74.34 112.842 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.72 -37.87 84.41 Favored 'Trans proline' 0 C--N 1.398 3.153 0 C-N-CA 122.216 1.944 . . . . 71.14 113.181 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.9 m -69.47 -49.46 54.65 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.76 0.824 . . . . 72.24 111.421 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 31' ' ' ILE . 14.6 t -71.35 -31.14 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 123.134 0.574 . . . . 75.55 110.809 -174.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -69.02 -27.83 66.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.307 0.643 . . . . 74.45 111.21 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.27 -36.24 68.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.47 0.308 . . . . 63.32 110.173 170.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.04 -19.88 60.48 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.248 0.619 . . . . 75.42 111.303 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.62 3.96 28.54 Favored Glycine 0 C--N 1.344 1.012 0 CA-C-O 119.832 -0.427 . . . . 71.31 113.259 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.92 -152.43 9.19 Favored Glycine 0 N--CA 1.472 1.092 0 C-N-CA 123.364 0.507 . . . . 52.15 112.314 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' HB2' ' A' ' 57' ' ' GLN . 26.5 t70 -172.69 163.21 5.16 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.478 1.111 . . . . 64.22 108.744 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.26 119.22 57.79 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 CA-C-O 121.347 0.594 . . . . 72.5 109.47 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.57 128.92 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.764 -1.198 . . . . 73.0 107.764 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.22 123.44 27.42 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 109.302 -0.629 . . . . 71.41 109.302 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -104.43 -47.79 4.01 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.964 0.906 . . . . 74.23 111.729 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.97 -179.9 47.59 Favored Glycine 0 N--CA 1.477 1.372 0 C-N-CA 120.618 -0.801 . . . . 53.12 114.144 -176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -151.41 117.9 5.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.965 0.906 . . . . 64.51 109.019 -175.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -143.67 142.22 30.9 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.113 0.565 . . . . 72.23 109.821 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 63.74 -77.99 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.34 1.456 . . . . 75.11 110.606 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.88 13.24 0.16 Allowed Glycine 0 C--N 1.338 0.641 0 N-CA-C 111.147 -0.781 . . . . 73.33 111.147 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.9 mm -103.65 119.93 52.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 123.179 0.592 . . . . 73.13 109.752 -172.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.461 ' HB ' HG22 ' A' ' 88' ' ' VAL . 28.1 t -86.86 101.51 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 108.753 -0.832 . . . . 75.32 108.753 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -79.93 114.13 18.61 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.101 0.56 . . . . 72.23 110.013 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -123.31 135.57 54.27 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.836 1.254 . . . . 72.33 109.974 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 85.8 tttt -88.74 110.16 20.76 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.527 -0.545 . . . . 75.11 109.527 173.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.425 HD13 HG22 ' A' ' 67' ' ' ILE . 42.1 mt -85.19 140.6 30.78 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.533 -0.914 . . . . 74.41 108.533 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.408 ' HB2' ' N ' ' A' ' 41' ' ' ASP . 78.8 mm-40 -96.05 175.88 6.31 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.472 0.709 . . . . 70.33 110.889 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.79 171.59 0.8 Allowed Glycine 0 C--N 1.357 1.697 0 O-C-N 124.144 0.902 . . . . 72.4 115.342 -175.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m 74.11 -61.97 0.48 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.528 1.531 . . . . 64.25 110.229 -171.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.4 m -62.49 -42.93 99.83 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.614 0.766 . . . . 71.24 111.035 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.408 HG22 ' NE2' ' A' ' 90' ' ' GLN . 71.4 p -77.39 -18.75 57.04 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.532 0.733 . . . . 71.12 112.382 -178.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -73.58 -11.36 60.41 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.44 0.696 . . . . 75.05 111.385 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 66' ' ' SER . 1.6 p -132.86 106.79 12.68 Favored Pre-proline 0 CA--C 1.563 1.457 0 C-N-CA 124.517 1.127 . . . . 73.21 109.126 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.91 -38.57 94.41 Favored 'Trans proline' 0 C--N 1.388 2.612 0 C-N-CA 123.969 3.113 . . . . 70.12 115.363 -171.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 m -70.48 -33.89 71.76 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 117.705 0.23 . . . . 74.1 110.741 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.436 ' HB3' ' SG ' ' A' ' 63' ' ' CYS . 19.5 t -68.5 -31.6 70.99 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.071 0.548 . . . . 61.02 110.839 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.425 HG22 HD13 ' A' ' 56' ' ' LEU . 78.3 mt -57.23 -53.11 47.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.947 0 C-N-CA 123.755 0.822 . . . . 75.13 110.072 171.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.03 -46.92 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-N 114.698 -1.137 . . . . 75.52 110.563 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.5 m -65.05 -40.63 95.04 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.806 0.843 . . . . 74.45 111.503 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.71 -50.61 70.45 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.127 0.571 . . . . 74.4 109.897 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -38.89 72.2 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.155 1.382 . . . . 73.44 111.292 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -68.23 -39.9 82.17 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.792 0.837 . . . . 74.44 111.419 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.75 -46.03 92.94 Favored Glycine 0 C--N 1.346 1.086 0 O-C-N 123.431 0.457 . . . . 42.11 112.27 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.44 -42.92 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.069 0.947 . . . . 63.31 109.885 176.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.89 -55.86 28.02 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.957 -1.02 . . . . 71.43 111.272 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.64 -32.14 72.28 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.713 0.805 . . . . 74.45 111.349 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.451 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 45.6 ttp -62.64 -54.85 33.26 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.068 0.547 . . . . 74.11 110.158 171.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.522 ' HB3' HG23 ' A' ' 85' ' ' VAL . 83.6 mt -66.46 -27.55 67.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.044 0.937 . . . . 75.21 112.321 -175.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 97.7 mt-30 -81.32 -26.6 35.51 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.197 0.599 . . . . 72.32 111.216 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.96 -39.51 83.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 122.905 0.482 . . . . 74.43 109.936 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -86.82 -65.7 0.99 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.974 -0.557 . . . . 75.13 110.471 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.527 HD11 ' HG3' ' A' ' 22' ' ' MET . 46.3 mt -97.85 118.02 64.46 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 124.45 1.1 . . . . 71.52 110.873 -173.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.67 -14.5 24.54 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 123.074 2.516 . . . . 65.52 113.221 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.41 -27.66 64.45 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.218 0.607 . . . . 73.0 110.953 -176.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.522 HG23 ' HB3' ' A' ' 78' ' ' LEU . 57.5 t -72.12 99.53 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 123.587 0.755 . . . . 73.12 110.482 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.96 -28.34 57.87 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 123.741 0.816 . . . . 73.43 110.64 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.2 -176.39 43.44 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 116.328 -0.396 . . . . 71.3 113.058 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.461 HG22 ' HB ' ' A' ' 52' ' ' VAL . 63.1 t -129.28 148.85 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.958 1.303 . . . . 74.22 107.981 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -130.15 142.5 50.58 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.18 0.592 . . . . 73.42 109.826 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.408 ' NE2' HG22 ' A' ' 61' ' ' THR . 42.6 tt0 -85.8 116.31 23.97 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.525 -0.917 . . . . 72.12 108.525 169.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 13.3 m . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 108.5 -0.926 . . . . 73.24 108.5 171.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.427 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 19.7 t70 . . . . . 0 CA--C 1.548 0.883 0 CA-C-O 120.476 0.179 . . . . 72.0 110.739 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.11 -43.98 96.42 Favored Glycine 0 C--N 1.349 1.285 0 N-CA-C 111.59 -0.604 . . . . 71.42 111.59 170.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 23' ' ' ILE . 76.3 t -60.5 -50.73 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.819 0.847 . . . . 72.14 109.507 172.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.427 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 64.7 t -58.16 -39.46 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.705 1.202 . . . . 63.51 112.194 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.26 -42.25 69.01 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.36 0.664 . . . . 71.31 110.974 -175.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.542 ' HG3' HD11 ' A' ' 82' ' ' ILE . 25.2 ptm -73.26 -23.98 60.39 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 119.057 -0.497 . . . . 74.14 110.969 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 19' ' ' VAL . 81.1 mt -64.09 -48.81 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 108.722 -0.844 . . . . 73.42 108.722 169.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HE3' HG11 ' A' ' 20' ' ' VAL . 99.4 mttt -52.5 -45.03 66.03 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.964 0.905 . . . . 74.43 111.868 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.35 -38.94 55.17 Favored 'General case' 0 C--O 1.207 -1.145 0 CA-C-O 118.948 -0.549 . . . . 71.34 110.583 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.72 -28.89 70.19 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 118.355 0.525 . . . . 63.35 110.86 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -74.82 -54.91 6.45 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.225 -0.657 . . . . 75.45 109.225 171.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.97 -26.4 68.82 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.731 0.812 . . . . 74.55 112.858 -171.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.0 p -91.4 -52.33 4.84 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.651 0.78 . . . . 71.21 110.477 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -91.11 -49.85 6.17 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.54 0.57 . . . . 73.32 112.54 -169.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.8 mm -89.61 -59.09 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.023 0.529 . . . . 73.43 112.26 -168.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.42 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 50.1 mtp180 -49.53 -54.08 34.4 Favored Pre-proline 0 N--CA 1.49 1.552 0 CA-C-O 117.676 -1.154 . . . . 75.13 113.186 -173.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 44.3 Cg_exo -57.96 -37.12 97.27 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 121.939 1.759 . . . . 70.51 112.529 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.9 m -63.18 -46.74 85.7 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.827 0.851 . . . . 73.14 110.966 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.2 t -73.04 -27.67 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 116.1 -0.5 . . . . 63.23 110.325 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -72.8 -30.06 63.77 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.113 0.565 . . . . 75.23 111.411 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -78.12 -26.22 47.81 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.914 0.486 . . . . 71.43 110.028 171.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -72.65 -22.56 60.91 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.642 0.777 . . . . 53.41 110.663 170.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.03 -24.42 10.75 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 116.22 -0.445 . . . . 52.44 112.899 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.09 -153.46 29.88 Favored Glycine 0 C--N 1.348 1.218 0 N-CA-C 112.189 -0.364 . . . . 75.24 112.189 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.444 ' HB3' ' HG3' ' A' ' 57' ' ' GLN . 21.9 t0 -173.13 159.39 3.89 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.987 0.915 . . . . 74.34 109.215 177.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 m -125.77 126.09 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 107.631 -1.248 . . . . 72.43 107.631 176.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -116.69 126.51 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 108.351 -0.981 . . . . 73.23 108.351 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -67.46 114.25 5.98 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 122.656 0.382 . . . . 71.42 110.304 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 9.4 mmpt? -97.92 -43.16 7.21 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.638 0.775 . . . . 73.42 111.612 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.37 -176.57 41.97 Favored Glycine 0 C--N 1.349 1.285 0 C-N-CA 120.756 -0.735 . . . . 61.33 114.586 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -156.26 110.96 2.84 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.927 1.291 . . . . 75.42 107.618 176.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -139.41 124.61 18.95 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.979 0.512 . . . . 74.24 109.892 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 57.51 33.0 22.69 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.912 1.285 . . . . 72.55 111.885 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.53 2.3 82.46 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.594 -0.73 . . . . 62.33 113.963 178.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.4 mm -101.91 114.27 40.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.353 0.661 . . . . 72.42 109.955 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.526 ' HB ' HG22 ' A' ' 88' ' ' VAL . 33.1 t -81.7 110.33 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.783 0.833 . . . . 74.24 109.324 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HB3' HG22 ' A' ' 91' ' ' VAL . 79.5 mt-30 -86.55 121.05 28.55 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.335 0.654 . . . . 74.13 109.853 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.6 mt -130.46 137.7 49.92 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.863 0.865 . . . . 75.44 111.47 -175.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -90.94 109.65 20.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.103 0.961 . . . . 74.31 109.523 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.7 mt -90.86 140.58 29.67 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.234 -0.654 . . . . 75.1 109.234 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.444 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 83.6 mm-40 -102.04 165.69 11.03 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.241 0.616 . . . . 74.44 112.287 -175.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.49 84.41 0.08 OUTLIER Glycine 0 C--N 1.356 1.643 0 CA-C-N 115.237 -0.892 . . . . 63.43 114.306 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t 176.56 -55.38 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.615 1.566 . . . . 70.04 107.924 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.3 p -75.32 -9.66 58.76 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.649 -1.16 . . . . 73.12 110.781 173.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -99.46 -1.93 37.31 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.231 1.013 . . . . 73.0 112.682 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.1 m -61.48 -21.8 64.51 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.308 0.855 . . . . 63.04 113.308 -171.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.3 p -146.34 148.37 34.28 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 123.397 0.679 . . . . 72.42 109.337 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.57 -27.31 81.61 Favored 'Trans proline' 0 C--N 1.385 2.468 0 C-N-CA 122.378 2.052 . . . . 75.41 111.77 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 m -56.72 -54.22 48.78 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.802 0.841 . . . . 64.34 111.382 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.9 p -68.19 -36.08 79.01 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.201 0.6 . . . . 73.12 111.937 -176.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.1 mt -54.22 -53.77 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.536 0.735 . . . . 74.33 110.584 175.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.35 -41.1 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.016 -0.993 . . . . 74.41 110.954 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.2 m -64.07 -44.86 91.12 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.277 0.631 . . . . 74.4 111.537 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.18 -50.47 73.53 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.184 0.594 . . . . 74.41 109.843 174.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -34.78 69.37 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.691 1.196 . . . . 75.22 112.005 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -75.85 -42.0 50.82 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.403 0.681 . . . . 71.04 111.491 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.46 -40.76 99.17 Favored Glycine 0 C--N 1.347 1.193 0 N-CA-C 111.83 -0.508 . . . . 72.03 111.83 178.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.2 -45.2 99.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.938 0.895 . . . . 75.24 110.54 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.63 -47.54 85.75 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.636 0.585 . . . . 74.21 111.13 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -39.58 92.61 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.585 0.754 . . . . 74.41 111.22 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.6 ttp -61.12 -55.91 26.98 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.708 0.63 . . . . 71.22 110.205 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.567 ' HB3' HG23 ' A' ' 85' ' ' VAL . 95.9 mt -64.15 -32.58 74.21 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.693 0.797 . . . . 71.33 111.839 -176.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -68.39 -32.4 72.45 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.904 0.481 . . . . 74.54 111.362 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.63 -45.89 84.91 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.475 0.485 . . . . 74.13 110.681 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -83.56 -27.84 29.0 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.74 -0.664 . . . . 75.32 111.32 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.542 HD11 ' HG3' ' A' ' 22' ' ' MET . 81.5 mt -141.71 112.15 6.37 Favored Pre-proline 0 N--CA 1.484 1.267 0 C-N-CA 123.884 0.874 . . . . 73.41 110.023 -168.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.28 -11.65 22.95 Favored 'Trans proline' 0 C--N 1.372 1.816 0 C-N-CA 122.332 2.021 . . . . 71.43 112.755 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.89 -28.54 66.78 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.548 0.739 . . . . 75.41 111.109 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 78' ' ' LEU . 84.0 t -71.61 104.84 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 109.343 -0.614 . . . . 72.12 109.343 176.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -91.81 -31.6 15.68 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.281 1.033 . . . . 72.43 110.459 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.96 175.05 38.5 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 116.094 -0.503 . . . . 74.44 112.379 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.526 HG22 ' HB ' ' A' ' 52' ' ' VAL . 82.9 t -131.58 142.81 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 108.152 -1.055 . . . . 71.25 108.152 173.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -124.75 143.06 50.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.267 1.027 . . . . 75.24 109.335 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -84.3 124.94 31.79 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.424 -0.954 . . . . 75.15 108.424 170.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.52 HG22 ' HB3' ' A' ' 53' ' ' GLN . 6.2 m . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 124.141 0.977 . . . . 75.52 108.733 172.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 CA--C 1.55 0.976 0 CA-C-O 119.785 -0.15 . . . . 74.05 110.64 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.36 -57.14 19.63 Favored Glycine 0 C--N 1.361 1.917 0 N-CA-C 113.901 0.32 . . . . 75.32 113.901 -172.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 23' ' ' ILE . 75.6 t -64.69 -39.18 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 117.095 0.447 . . . . 71.22 109.942 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.49 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 63.9 t -57.63 -38.64 65.47 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 123.951 0.901 . . . . 74.25 110.486 178.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.56 87.07 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.353 1.061 . . . . 72.31 112.069 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.434 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 24.2 ptm -72.78 -27.06 61.77 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.044 0.137 . . . . 73.04 111.188 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 19' ' ' VAL . 64.9 mt -65.98 -39.86 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 109.371 -0.603 . . . . 74.32 109.371 173.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 92.1 mttt -52.36 -46.23 66.08 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.45 0.7 . . . . 74.04 111.524 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 22' ' ' MET . 10.2 pt-20 -72.59 -46.02 56.33 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.579 0.55 . . . . 63.42 109.668 -176.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.42 -32.29 71.2 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.242 0.617 . . . . 75.03 111.555 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.6 mt -72.3 -54.99 7.9 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 109.633 -0.506 . . . . 73.21 109.633 173.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.8 -24.42 66.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.488 0.715 . . . . 71.54 112.558 -170.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.9 p -91.92 -52.95 4.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.788 0.835 . . . . 72.13 111.359 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.438 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 49.2 mtp180 -89.17 -50.81 5.92 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.878 0.471 . . . . 74.24 111.94 -173.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.437 ' O ' HG21 ' A' ' 35' ' ' VAL . 50.7 mm -85.89 -65.17 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-O 118.801 -0.618 . . . . 74.2 111.53 -167.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 48.9 mtp180 -43.23 -56.27 6.83 Favored Pre-proline 0 N--CA 1.487 1.386 0 CA-C-O 117.313 -1.327 . . . . 71.31 113.442 -173.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.408 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 46.3 Cg_exo -56.91 -39.83 88.54 Favored 'Trans proline' 0 C--N 1.406 3.553 0 C-N-CA 122.304 2.002 . . . . 73.42 112.256 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.4 m -65.53 -44.11 87.91 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.81 0.844 . . . . 75.11 110.439 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 31' ' ' ILE . 14.1 t -70.66 -31.01 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.08 0.552 . . . . 75.02 110.518 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -67.14 -36.46 81.9 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.598 0.759 . . . . 71.45 110.815 176.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -73.26 -28.75 62.31 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.441 0.696 . . . . 72.03 110.632 173.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.04 -22.73 58.23 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.864 0.865 . . . . 75.31 111.179 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.68 -5.98 26.1 Favored Glycine 0 N--CA 1.473 1.139 0 CA-C-O 119.835 -0.425 . . . . 45.13 113.46 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.45 -151.59 14.07 Favored Glycine 0 N--CA 1.474 1.178 0 N-CA-C 111.473 -0.651 . . . . 65.22 111.473 173.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -174.7 162.32 3.3 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.659 1.183 . . . . 71.34 108.695 172.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.7 m -123.22 127.66 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 N-CA-C 107.653 -1.24 . . . . 74.32 107.653 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -119.06 128.6 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 107.754 -1.202 . . . . 72.4 107.754 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.62 123.75 25.42 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 109.554 -0.535 . . . . 73.22 109.554 -176.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.676 ' HZ3' ' HA ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -116.77 -33.29 4.85 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.787 0.835 . . . . 74.15 112.167 -172.558 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.23 176.65 48.13 Favored Glycine 0 C--N 1.347 1.15 0 C-N-CA 121.38 -0.438 . . . . 74.22 112.98 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -151.88 111.08 3.9 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.607 -1.257 . . . . 72.41 107.607 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -140.45 122.26 15.42 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.826 0.451 . . . . 64.22 110.337 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 64.97 20.13 12.03 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.781 1.232 . . . . 73.31 111.819 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.69 -3.06 57.39 Favored Glycine 0 C--N 1.344 1.005 0 CA-C-N 115.566 -0.743 . . . . 64.44 113.329 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.1 mm -96.07 109.85 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.139 0.576 . . . . 75.34 110.035 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.537 ' HB ' HG22 ' A' ' 88' ' ' VAL . 48.7 t -77.94 106.02 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.574 -0.899 . . . . 54.35 108.574 177.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -91.95 116.76 29.19 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.702 0.801 . . . . 74.21 110.04 -174.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -126.09 138.21 53.68 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.719 1.208 . . . . 73.31 110.438 -173.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -86.54 114.15 23.04 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.221 -1.029 . . . . 74.02 108.221 172.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.475 HD11 HD21 ' A' ' 70' ' ' LEU . 35.9 mt -93.53 137.98 32.26 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.238 -0.653 . . . . 74.32 109.238 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -96.38 167.6 11.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.787 0.835 . . . . 64.4 111.692 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.42 169.97 2.77 Favored Glycine 0 C--N 1.359 1.819 0 O-C-N 124.337 1.023 . . . . 62.41 115.212 -174.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.5 m 77.63 -58.79 0.47 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.796 1.638 . . . . 73.12 110.525 -173.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.673 ' SG ' HD22 ' A' ' 70' ' ' LEU . 39.1 t -68.41 -32.27 72.2 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.203 0.601 . . . . 72.11 110.885 176.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.413 ' HA ' HG12 ' A' ' 67' ' ' ILE . 64.8 p -82.16 -23.91 35.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.333 0.653 . . . . 65.11 111.79 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.9 m -64.66 -23.04 67.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.592 0.757 . . . . 73.33 111.428 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.1 m -115.8 114.33 41.92 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.058 0.943 . . . . 60.31 108.95 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.13 -34.8 88.83 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.032 2.488 . . . . 74.44 113.233 -174.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -70.27 -30.08 67.02 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.03 0.532 . . . . 75.44 111.148 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.0 m -71.28 -31.27 67.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.749 0.42 . . . . 70.33 111.456 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.413 HG12 ' HA ' ' A' ' 61' ' ' THR . 38.8 mt -63.7 -43.25 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 109.45 -0.574 . . . . 74.31 109.45 173.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.48 -56.41 17.88 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 C-N-CA 123.59 0.756 . . . . 72.44 110.56 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 m -59.49 -40.72 87.9 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.575 0.75 . . . . 72.24 111.217 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.673 HD22 ' SG ' ' A' ' 60' ' ' CYS . 60.5 tp -61.53 -61.91 2.19 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 123.768 0.667 . . . . 72.53 110.174 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -58.31 -42.07 85.89 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.422 1.076 . . . . 75.43 111.641 -174.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -65.93 -40.85 91.78 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.945 0.898 . . . . 75.21 111.483 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.05 -44.18 91.94 Favored Glycine 0 C--N 1.341 0.833 0 O-C-N 123.368 0.417 . . . . 65.54 112.184 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 70' ' ' LEU . 79.2 mt -58.02 -45.81 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.324 1.05 . . . . 74.45 109.662 174.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -59.93 -57.37 13.17 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 114.508 -1.224 . . . . 75.4 110.673 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -62.25 -33.11 73.97 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.994 0.809 . . . . 74.31 111.726 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.438 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 40.5 ttp -63.08 -53.72 49.28 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.128 0.571 . . . . 75.31 109.94 175.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.541 ' HB3' HG21 ' A' ' 85' ' ' VAL . 99.2 mt -66.99 -29.24 69.03 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.723 0.809 . . . . 72.54 111.292 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -71.72 -31.52 66.8 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.355 0.662 . . . . 73.13 110.86 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -64.78 -48.53 74.14 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.564 0.54 . . . . 74.3 110.339 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -79.71 -37.99 34.46 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.126 -0.943 . . . . 75.24 111.339 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.3 mt -127.1 112.78 21.71 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 123.84 0.856 . . . . 72.41 109.957 -165.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -72.94 -9.02 23.18 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 123.154 2.57 . . . . 73.35 112.915 177.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.53 -30.49 63.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.091 0.556 . . . . 74.41 110.839 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.541 HG21 ' HB3' ' A' ' 78' ' ' LEU . 97.7 t -73.73 99.12 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 123.716 0.806 . . . . 74.12 111.085 -175.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.16 -39.19 68.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.534 0.734 . . . . 74.35 110.548 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.31 -175.86 37.65 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.324 -0.853 . . . . 63.13 112.404 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.537 HG22 ' HB ' ' A' ' 52' ' ' VAL . 70.3 t -129.89 146.39 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.844 1.257 . . . . 74.42 107.887 174.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -135.99 141.46 44.4 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.215 0.606 . . . . 61.43 109.656 -177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -84.09 121.8 27.93 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 108.828 -0.805 . . . . 65.13 108.828 173.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.47 0.544 0 C-N-CA 124.296 1.038 . . . . 73.34 109.526 179.649 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 112.158 0.429 . . . . 75.23 112.158 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.44 -35.27 90.78 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 112.181 -0.368 . . . . 53.33 112.181 168.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 23' ' ' ILE . 98.8 t -62.5 -50.0 81.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.588 0.755 . . . . 75.22 109.637 171.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.7 -34.05 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 C-N-CA 123.937 0.895 . . . . 72.35 111.022 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.47 -45.46 68.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.057 0.943 . . . . 73.12 111.605 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.3 ptm -72.8 -23.87 60.84 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 119.514 -0.279 . . . . 74.11 110.959 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 19' ' ' VAL . 88.6 mt -67.32 -45.51 85.82 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 N-CA-C 109.054 -0.721 . . . . 75.22 109.054 169.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -54.45 -42.33 70.47 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.194 0.598 . . . . 74.34 110.912 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.84 -52.25 52.05 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 124.066 0.854 . . . . 72.41 111.063 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.1 -36.68 77.97 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.579 0.752 . . . . 73.44 111.281 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.4 -49.64 58.62 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.801 -0.444 . . . . 74.33 109.801 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 26.7 t70 -66.47 -33.95 76.84 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.536 0.734 . . . . 61.41 112.665 -169.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.4 p -87.95 -46.93 8.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.081 0.552 . . . . 72.0 111.652 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -89.15 -54.0 4.31 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.24 0.616 . . . . 75.34 111.955 -169.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.9 mm -88.79 -57.04 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 115.939 -0.573 . . . . 74.24 111.216 -165.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 73.9 mtp180 -51.15 -55.48 27.98 Favored Pre-proline 0 N--CA 1.481 1.121 0 CA-C-O 117.416 -1.278 . . . . 74.41 112.914 -172.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.47 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 32.6 Cg_exo -59.77 -37.85 84.29 Favored 'Trans proline' 0 C--N 1.395 2.979 0 C-N-CA 122.328 2.019 . . . . 72.13 111.927 -175.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.2 m -60.86 -47.82 84.64 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.025 0.93 . . . . 75.11 110.743 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.648 HG12 ' SG ' ' A' ' 60' ' ' CYS . 40.4 t -72.38 -30.28 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 115.677 -0.692 . . . . 54.3 110.365 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 74.0 mt-30 -67.44 -38.87 85.18 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.638 0.775 . . . . 65.33 111.233 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 33' ' ' PRO . 45.5 mt-10 -71.19 -33.04 69.58 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.356 0.41 . . . . 64.53 109.914 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.76 -21.03 63.47 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.507 -0.77 . . . . 73.2 110.79 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.03 -13.13 11.38 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-O 120.092 -0.282 . . . . 74.42 113.281 172.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -103.66 -145.76 15.42 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-O 120.064 -0.298 . . . . 73.35 113.124 177.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t0 179.3 159.88 0.69 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.573 1.549 . . . . 75.15 108.385 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.6 m -123.05 120.86 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 108.521 -0.918 . . . . 73.12 108.521 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.453 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.4 mp -113.08 121.17 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 108.321 -0.992 . . . . 74.44 108.321 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.444 ' OH ' ' HB2' ' A' ' 47' ' ' PHE . 1.6 t80 -71.7 112.87 8.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.232 0.613 . . . . 75.41 109.642 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -97.73 -44.6 6.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.713 0.805 . . . . 73.12 111.967 -174.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.66 167.76 37.95 Favored Glycine 0 C--N 1.348 1.224 0 C-N-CA 120.572 -0.823 . . . . 73.13 114.802 -175.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.444 ' HB2' ' OH ' ' A' ' 44' ' ' TYR . 39.8 t80 -146.1 113.62 6.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.711 1.204 . . . . 74.1 108.067 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -146.96 124.0 11.41 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.248 0.619 . . . . 63.31 109.772 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 66.91 19.03 10.66 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.989 1.315 . . . . 62.33 111.938 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.58 -0.48 70.8 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 116.682 -0.235 . . . . 74.02 113.078 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.1 mm -92.93 112.13 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.6 0.76 . . . . 75.23 109.471 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.499 ' HB ' HG23 ' A' ' 88' ' ' VAL . 58.0 t -88.67 100.56 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.468 1.107 . . . . 74.1 109.077 -178.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.63 115.7 20.28 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.164 0.586 . . . . 75.44 109.457 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -120.3 141.02 50.39 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.126 0.97 . . . . 72.25 111.248 -176.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HE2' ' NE2' ' A' ' 57' ' ' GLN . 79.0 tttt -90.89 108.14 19.65 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.706 1.202 . . . . 75.41 109.258 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.9 mt -91.56 132.12 36.52 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.174 -0.676 . . . . 74.21 109.174 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.577 ' NE2' ' HE2' ' A' ' 55' ' ' LYS . 76.9 mm-40 -95.27 175.37 6.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.214 0.606 . . . . 72.43 110.543 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.99 169.06 1.88 Allowed Glycine 0 C--N 1.353 1.498 0 O-C-N 124.04 0.837 . . . . 75.43 114.513 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.3 t 75.75 -52.43 0.63 Allowed 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.513 1.525 . . . . 72.54 110.4 -169.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.648 ' SG ' HG12 ' A' ' 35' ' ' VAL . 83.8 m -82.25 -50.13 9.32 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.319 0.647 . . . . 70.21 111.275 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 t -76.56 -13.33 60.09 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.735 0.414 . . . . 63.03 111.628 -175.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m -69.69 -22.33 63.42 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.912 0.885 . . . . 64.52 112.218 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 75.4 m -128.19 122.13 21.94 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 123.498 0.719 . . . . 75.31 109.216 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.533 ' HA ' HD13 ' A' ' 67' ' ' ILE . 28.6 Cg_endo -60.15 -23.54 74.01 Favored 'Trans proline' 0 C--N 1.383 2.365 0 C-N-CA 123.513 2.809 . . . . 71.35 112.777 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.2 p -62.31 -51.58 67.1 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.783 0.833 . . . . 63.35 110.105 172.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.5 m -70.94 -27.31 63.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.651 0.781 . . . . 64.3 111.75 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 64' ' ' PRO . 87.2 mt -61.53 -51.58 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.097 0.559 . . . . 74.04 109.983 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.54 -46.18 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 123.863 0.727 . . . . 61.34 110.63 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.4 m -63.18 -44.79 94.41 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.211 0.604 . . . . 74.23 111.494 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.0 tp -65.22 -46.56 80.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.814 0.445 . . . . 74.44 109.944 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -57.43 -43.76 84.14 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.125 0.97 . . . . 71.33 111.314 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -67.53 -42.73 82.25 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.397 1.079 . . . . 74.52 110.993 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.82 -47.52 89.7 Favored Glycine 0 C--N 1.344 1.004 0 O-C-N 123.658 0.599 . . . . 74.51 112.043 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.95 -40.72 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.871 0.869 . . . . 73.11 110.188 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -59.2 -56.83 17.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.613 0.765 . . . . 73.25 110.164 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -64.16 -30.93 71.96 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.629 0.581 . . . . 72.41 111.501 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -67.01 -48.81 67.27 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.678 0.391 . . . . 74.53 110.695 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.51 ' HB3' HG22 ' A' ' 85' ' ' VAL . 90.7 mt -66.59 -35.49 80.33 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.635 0.774 . . . . 71.41 111.198 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -73.01 -28.61 62.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.501 0.72 . . . . 74.31 111.157 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -64.13 -45.17 89.76 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.832 0.853 . . . . 74.24 110.465 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -90.73 -34.46 15.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.69 -0.686 . . . . 74.54 111.462 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.1 mt -125.11 107.24 28.01 Favored Pre-proline 0 N--CA 1.482 1.167 0 C-N-CA 123.689 0.796 . . . . 70.34 109.912 -172.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.09 -11.61 30.73 Favored 'Trans proline' 0 C--N 1.369 1.634 0 C-N-CA 122.961 2.441 . . . . 70.33 113.071 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -70.21 -26.66 63.97 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.676 0.79 . . . . 65.34 112.046 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.51 HG22 ' HB3' ' A' ' 78' ' ' LEU . 85.7 t -73.57 120.6 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 123.188 0.595 . . . . 73.21 110.201 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -94.9 -31.99 13.43 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.192 0.997 . . . . 75.43 110.929 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.96 -178.22 41.37 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-N 116.325 -0.398 . . . . 60.13 113.289 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.499 HG23 ' HB ' ' A' ' 52' ' ' VAL . 63.1 t -131.26 134.68 60.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 124.941 1.296 . . . . 73.43 108.11 175.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -114.41 142.75 45.95 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.639 0.776 . . . . 75.23 109.628 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -85.71 125.13 32.97 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.577 -0.527 . . . . 75.42 109.577 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 11.6 m . . . . . 0 CA--C 1.554 1.12 0 N-CA-C 108.547 -0.909 . . . . 71.53 108.547 172.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.217 -0.608 0 CA-C-O 119.501 -0.285 . . . . 73.23 111.391 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.46 -36.88 86.48 Favored Glycine 0 C--N 1.351 1.383 0 C-N-CA 123.292 0.473 . . . . 74.21 113.217 168.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG13 HD13 ' A' ' 82' ' ' ILE . 76.0 t -60.56 -52.46 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.362 0.665 . . . . 64.51 109.518 171.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.527 HG11 ' HE3' ' A' ' 24' ' ' LYS . 88.1 t -60.54 -34.6 58.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 124.645 1.178 . . . . 74.35 110.755 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.52 -42.08 59.5 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.964 0.906 . . . . 72.31 110.818 -176.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.514 ' HG3' HD12 ' A' ' 82' ' ' ILE . 24.3 ptp -71.27 -31.22 67.23 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.21 -0.45 . . . . 74.55 110.004 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 19' ' ' VAL . 96.1 mt -58.35 -50.27 79.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 109.105 -0.702 . . . . 71.21 109.105 171.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.527 ' HE3' HG11 ' A' ' 20' ' ' VAL . 96.8 mttt -54.69 -41.45 70.26 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.951 0.782 . . . . 74.35 112.718 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -74.4 -43.29 57.03 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 109.737 -0.468 . . . . 72.52 109.737 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.14 -33.46 75.5 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.838 0.855 . . . . 75.11 110.913 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 95.6 mt -65.37 -56.13 14.29 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 109.314 -0.624 . . . . 74.51 109.314 171.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.99 -32.27 73.92 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 116.15 -0.477 . . . . 73.52 112.269 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.2 p -90.33 -43.51 10.29 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.731 0.812 . . . . 64.15 111.88 -174.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -99.09 -54.1 3.07 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.484 0.179 . . . . 75.04 111.484 -175.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.429 ' O ' HG21 ' A' ' 35' ' ' VAL . 50.7 mm -76.24 -62.85 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 118.744 -0.646 . . . . 73.04 111.267 -167.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -44.45 -51.72 19.46 Favored Pre-proline 0 N--CA 1.486 1.369 0 CA-C-O 116.931 -1.509 . . . . 73.01 113.171 -177.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.519 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 69.4 Cg_exo -51.32 -49.29 17.6 Favored 'Trans proline' 0 C--N 1.404 3.457 0 C-N-CA 122.509 2.14 . . . . 71.41 112.299 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.0 m -60.14 -44.25 95.1 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.218 1.007 . . . . 75.22 111.721 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 31' ' ' ILE . 17.4 t -69.77 -32.57 52.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 115.735 -0.666 . . . . 74.22 110.456 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -76.32 -18.87 58.72 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.754 0.822 . . . . 73.43 111.112 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 6.3 mm-40 -68.8 -34.59 75.78 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.286 -0.635 . . . . 65.12 109.286 169.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -79.58 -23.11 42.97 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.286 -0.87 . . . . 74.31 110.645 174.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.84 -10.6 34.75 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 119.96 -0.356 . . . . 55.02 112.596 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.15 -162.15 37.33 Favored Glycine 0 C--N 1.348 1.196 0 N-CA-C 111.789 -0.525 . . . . 62.22 111.789 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -166.85 162.81 16.15 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.246 0.618 . . . . 74.14 109.548 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 m -128.34 130.78 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.866 0.866 . . . . 75.32 109.488 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.541 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -115.28 129.09 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 107.69 -1.226 . . . . 71.34 107.69 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.44 ' OH ' HG13 ' A' ' 20' ' ' VAL . 74.5 t80 -72.18 128.2 34.94 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.821 -0.437 . . . . 64.15 109.821 176.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.559 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 9.7 mmpt? -113.14 -46.38 3.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.543 0.737 . . . . 73.41 111.323 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.44 -174.26 41.07 Favored Glycine 0 C--N 1.342 0.888 0 C-N-CA 120.266 -0.969 . . . . 72.15 113.965 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -155.93 109.89 2.79 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 106.345 -1.724 . . . . 73.45 106.345 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -138.0 123.71 19.86 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.077 -0.712 . . . . 74.03 109.077 -174.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 60.83 30.72 19.84 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.677 1.191 . . . . 62.45 111.107 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.1 2.86 85.6 Favored Glycine 0 C--N 1.347 1.194 0 CA-C-N 115.868 -0.606 . . . . 75.41 113.796 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.2 mm -104.36 116.81 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.324 0.65 . . . . 72.44 110.062 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.58 ' HB ' HG23 ' A' ' 88' ' ' VAL . 46.1 t -82.42 111.89 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 123.566 0.746 . . . . 64.11 109.6 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -87.15 120.81 28.82 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.143 0.577 . . . . 72.03 109.453 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.6 mt -126.77 136.72 52.78 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.25 0.62 . . . . 73.22 110.753 -177.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.541 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 79.5 tttt -87.25 110.26 20.06 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.437 -0.949 . . . . 72.3 108.437 172.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.6 mt -90.73 146.45 23.98 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.646 -0.872 . . . . 65.0 108.646 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -95.38 176.59 6.14 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.268 0.627 . . . . 73.24 111.104 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.41 166.41 20.88 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.42 -0.655 . . . . 52.23 112.116 172.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.5 t 76.31 -55.84 0.58 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.302 1.441 . . . . 61.35 110.318 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.528 ' HB2' HD22 ' A' ' 70' ' ' LEU . 27.8 p -74.66 -5.29 42.24 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 112.593 0.59 . . . . 74.43 112.593 177.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.491 ' HA ' HG12 ' A' ' 67' ' ' ILE . 21.6 p -109.52 8.58 25.22 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.767 0.827 . . . . 70.01 111.862 175.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -69.73 103.77 2.24 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 119.278 -0.392 . . . . 62.24 110.986 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 73.6 m 74.72 145.84 0.11 Allowed Pre-proline 0 N--CA 1.488 1.464 0 C-N-CA 125.206 1.403 . . . . 74.24 111.317 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -58.54 -41.29 66.12 Favored 'Trans proline' 0 C--N 1.384 2.423 0 C-N-CA 123.08 2.52 . . . . 72.15 112.799 -173.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -54.93 -40.23 69.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.689 0.796 . . . . 74.14 112.109 -177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.5 m -67.8 -40.4 83.9 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 123.544 0.527 . . . . 65.24 111.268 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.491 HG12 ' HA ' ' A' ' 61' ' ' THR . 45.7 mt -64.44 -41.33 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 122.977 0.511 . . . . 71.23 110.202 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.13 -49.99 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.882 0.873 . . . . 75.24 109.985 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.0 m -62.63 -40.32 96.6 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.542 0.737 . . . . 62.13 111.261 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.528 HD22 ' HB2' ' A' ' 60' ' ' CYS . 62.2 tp -66.31 -58.71 4.75 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.494 0.497 . . . . 73.12 109.964 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -56.14 -40.21 73.46 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.626 1.17 . . . . 71.54 111.52 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -73.71 -34.51 64.85 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.366 0.666 . . . . 73.34 111.732 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.01 -45.88 94.68 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 111.184 -0.766 . . . . 74.34 111.184 174.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 70' ' ' LEU . 71.4 mt -63.7 -43.53 98.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.827 0.851 . . . . 74.02 109.918 176.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -58.68 -57.8 11.41 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.265 0.978 . . . . 65.23 110.554 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -63.97 -30.53 71.6 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.479 0.711 . . . . 75.33 111.585 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -67.12 -46.56 73.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 109.973 -0.38 . . . . 75.35 109.973 174.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.49 HD11 HG23 ' A' ' 52' ' ' VAL . 89.7 mt -68.9 -26.82 65.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.621 0.769 . . . . 72.44 111.671 178.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.4 mt-30 -80.52 -26.27 38.22 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.621 0.768 . . . . 71.41 110.467 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -66.86 -33.83 76.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.17 0.988 . . . . 75.55 110.482 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -94.95 -40.07 9.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.21 0.604 . . . . 73.2 111.324 177.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.514 HD12 ' HG3' ' A' ' 22' ' ' MET . 37.6 mt -127.04 115.14 21.93 Favored Pre-proline 0 N--CA 1.483 1.21 0 C-N-CA 123.345 0.658 . . . . 74.11 110.384 -170.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.85 -8.75 20.54 Favored 'Trans proline' 0 C--N 1.374 1.89 0 C-N-CA 122.764 2.309 . . . . 72.1 112.613 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -76.86 -25.24 52.9 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.096 0.558 . . . . 71.55 111.32 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.435 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 84.6 t -72.03 97.78 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 N-CA-C 109.552 -0.536 . . . . 74.04 109.552 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -73.39 -28.86 62.24 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.517 0.727 . . . . 71.42 111.108 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -173.19 -177.2 42.26 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 121.514 -0.374 . . . . 73.01 113.489 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.58 HG23 ' HB ' ' A' ' 52' ' ' VAL . 77.8 t -132.52 139.73 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.991 1.317 . . . . 73.22 107.615 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -124.84 146.69 49.15 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 122.87 0.468 . . . . 70.54 110.297 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -84.75 127.21 34.0 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.482 -0.781 . . . . 75.31 109.016 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 24.0 m . . . . . 0 N--CA 1.474 0.757 0 C-N-CA 124.151 0.981 . . . . 73.34 108.553 170.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.753 0.279 . . . . 74.5 111.753 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.11 -35.44 92.08 Favored Glycine 0 C--N 1.349 1.301 0 N-CA-C 112.039 -0.424 . . . . 73.1 112.039 169.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.458 HG13 HG21 ' A' ' 82' ' ' ILE . 76.6 t -56.26 -54.61 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.725 0.81 . . . . 75.34 109.494 170.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -55.88 -42.42 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.358 1.463 . . . . 74.54 111.693 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.48 80.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.262 1.025 . . . . 73.41 111.3 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.4 ptm -76.99 -23.02 52.28 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 118.99 -0.528 . . . . 73.33 111.723 -177.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 19' ' ' VAL . 87.0 mt -62.95 -49.43 83.6 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 N-CA-C 108.31 -0.996 . . . . 72.53 108.31 171.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -52.29 -43.43 64.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.647 0.779 . . . . 75.41 111.553 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.91 -51.87 62.52 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.756 0.66 . . . . 74.44 110.295 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.445 ' HB3' ' HE1' ' A' ' 77' ' ' MET . 91.1 mt -59.56 -32.58 70.48 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.827 0.851 . . . . 73.14 111.424 -178.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 92.6 mt -71.28 -56.52 5.87 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.114 -0.699 . . . . 73.52 109.114 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 24.7 t70 -61.66 -29.57 70.16 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.389 1.076 . . . . 75.42 112.727 -169.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.8 p -100.21 -24.9 14.44 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 112.687 0.625 . . . . 64.45 112.687 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -118.0 -57.03 2.13 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 122.581 0.353 . . . . 75.24 111.55 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 35' ' ' VAL . 43.5 mm -77.99 -60.13 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.142 0.577 . . . . 61.03 111.086 -169.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 75.6 mtp180 -47.98 -51.77 45.25 Favored Pre-proline 0 CA--C 1.561 1.392 0 CA-C-O 116.874 -1.536 . . . . 75.44 112.125 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -54.63 -38.9 90.85 Favored 'Trans proline' 0 C--N 1.405 3.533 0 C-N-CA 122.557 2.171 . . . . 64.23 113.074 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.8 m -63.77 -46.39 85.47 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.311 0.644 . . . . 73.41 110.861 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 HG11 ' A' ' 42' ' ' VAL . 6.0 t -70.03 -32.23 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 115.581 -0.736 . . . . 71.11 110.563 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -73.47 -31.17 63.62 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.363 0.665 . . . . 75.32 110.716 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -69.41 -33.52 73.12 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 122.741 0.416 . . . . 64.02 110.226 171.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.76 -23.19 61.56 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.502 0.721 . . . . 73.34 110.894 173.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.09 -27.15 6.51 Favored Glycine 0 C--N 1.342 0.903 0 N-CA-C 112.504 -0.238 . . . . 75.43 112.504 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.73 -148.24 20.54 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-O 120.085 -0.286 . . . . 73.1 113.187 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -174.39 159.17 3.0 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.51 1.124 . . . . 72.52 108.717 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.459 HG11 HG21 ' A' ' 35' ' ' VAL . 26.9 m -122.65 125.98 73.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 108.591 -0.892 . . . . 71.41 108.591 176.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.581 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.4 mp -110.93 125.78 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 N-CA-C 107.41 -1.33 . . . . 75.21 107.41 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -67.05 109.07 2.85 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.88 -0.415 . . . . 74.44 109.88 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.441 ' HD2' ' HB2' ' A' ' 55' ' ' LYS . 8.9 mmpt? -88.49 -50.4 6.32 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.653 0.781 . . . . 73.44 110.335 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.81 -171.41 41.21 Favored Glycine 0 C--N 1.345 1.062 0 C-N-CA 120.625 -0.797 . . . . 73.04 114.068 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -147.05 111.9 5.37 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 106.981 -1.488 . . . . 74.12 106.981 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -132.78 114.64 14.36 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.287 0.635 . . . . 74.03 109.591 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 61.3 38.69 16.24 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.493 1.117 . . . . 75.42 111.317 171.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.45 -3.84 82.06 Favored Glycine 0 C--N 1.345 1.071 0 CA-C-N 115.513 -0.767 . . . . 71.5 114.045 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.5 mm -102.96 114.21 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.397 0.679 . . . . 64.51 110.822 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.555 ' HB ' HG21 ' A' ' 88' ' ' VAL . 44.3 t -81.91 108.36 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.546 -0.909 . . . . 72.13 108.546 176.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -96.94 125.82 41.64 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.078 0.551 . . . . 74.41 109.592 -175.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.5 mt -129.47 147.55 51.3 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.586 0.754 . . . . 74.25 110.914 -173.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 85.7 tttt -88.64 110.37 20.88 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.293 1.037 . . . . 71.31 109.266 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.9 mt -87.02 135.79 33.15 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 109.35 -0.611 . . . . 73.01 109.35 177.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.444 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 82.0 mm-40 -95.53 174.97 6.74 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.705 0.802 . . . . 65.24 110.576 177.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.75 157.37 5.51 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 119.368 -0.684 . . . . 64.34 112.824 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.5 t 77.78 -66.92 0.21 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.329 1.451 . . . . 74.04 109.544 -167.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 57' ' ' GLN . 29.7 p -68.9 -22.29 64.18 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.28 0.474 . . . . 64.35 112.28 -175.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.451 ' HA ' HG12 ' A' ' 67' ' ' ILE . 12.2 t -105.23 3.26 29.89 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.895 0.478 . . . . 74.31 111.926 176.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.9 t -71.84 -58.57 3.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.085 0.554 . . . . 73.22 111.166 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 74.8 m -94.2 139.01 22.36 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.066 0.546 . . . . 73.3 110.466 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -60.23 -37.33 83.75 Favored 'Trans proline' 0 C--N 1.383 2.347 0 C-N-CA 123.515 2.81 . . . . 75.54 112.987 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -68.18 -35.41 77.98 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.103 0.561 . . . . 74.41 110.504 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.3 m -63.3 -42.35 99.05 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.195 0.598 . . . . 54.34 111.219 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.451 HG12 ' HA ' ' A' ' 61' ' ' THR . 84.9 mt -58.22 -52.37 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.269 1.028 . . . . 74.25 111.135 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.76 -42.01 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 O-C-N 123.609 0.568 . . . . 73.32 111.144 -174.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 84.8 m -57.17 -45.15 83.91 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.41 0.684 . . . . 73.23 110.81 176.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.424 ' O ' HG13 ' A' ' 74' ' ' ILE . 43.2 tp -64.42 -53.25 51.34 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.434 -0.803 . . . . 72.23 110.076 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -55.44 -40.46 71.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.902 1.281 . . . . 74.24 111.693 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -69.63 -44.71 70.1 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.145 0.978 . . . . 74.25 111.103 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.28 -46.8 93.71 Favored Glycine 0 CA--C 1.533 1.173 0 O-C-N 123.185 0.303 . . . . 72.3 112.644 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 70' ' ' LEU . 60.3 mt -60.56 -44.55 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.215 1.006 . . . . 75.14 109.681 175.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.407 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 8.5 tt0 -55.41 -61.6 2.23 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.408 1.083 . . . . 74.53 111.283 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -60.94 -36.43 79.33 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 123.884 0.74 . . . . 61.33 112.179 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.445 ' HE1' ' HB3' ' A' ' 26' ' ' LEU . 16.0 tmm? -64.36 -50.49 67.51 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.618 0.367 . . . . 75.15 110.219 178.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.537 ' HB3' HG23 ' A' ' 85' ' ' VAL . 86.7 mt -61.78 -39.64 92.4 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.45 0.7 . . . . 73.12 111.176 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.5 mt-30 -65.6 -34.45 78.26 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.799 0.84 . . . . 73.31 111.392 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.5 -30.72 71.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.88 0.872 . . . . 74.52 111.092 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -102.65 -27.02 12.98 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.295 0.638 . . . . 74.54 111.868 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.458 HG21 HG13 ' A' ' 19' ' ' VAL . 61.9 mt -135.89 114.29 10.95 Favored Pre-proline 0 N--CA 1.488 1.444 0 C-N-CA 123.958 0.903 . . . . 75.45 110.478 -168.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -76.81 -9.55 18.26 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.813 2.342 . . . . 73.13 113.469 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -72.38 -27.62 62.49 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.726 0.411 . . . . 72.03 111.06 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 78' ' ' LEU . 94.0 t -74.18 101.52 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 108.865 -0.791 . . . . 71.15 108.865 177.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -84.81 -24.07 28.84 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.901 -1.045 . . . . 62.53 110.15 174.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.407 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -178.55 -178.52 47.96 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 116.275 -0.42 . . . . 72.33 112.745 176.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.555 HG21 ' HB ' ' A' ' 52' ' ' VAL . 76.6 t -126.98 152.45 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.278 1.431 . . . . 74.32 108.029 174.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -143.73 147.7 34.6 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.071 0.548 . . . . 73.25 110.21 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -85.05 131.73 34.42 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.914 0.886 . . . . 72.24 110.396 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 4.7 m . . . . . 0 N--CA 1.471 0.591 0 N-CA-C 106.741 -1.577 . . . . 61.31 106.741 164.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 110.386 -0.227 . . . . 73.02 110.386 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.32 173.67 53.96 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 114.065 0.386 . . . . 63.25 114.065 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -76.07 76.92 2.92 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.922 0.889 . . . . 74.11 109.297 176.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -130.75 -68.45 0.68 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.89 -1.522 . . . . 75.33 106.89 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 42.7 m80 59.14 20.54 8.52 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 125.039 1.336 . . . . 71.05 112.804 171.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -110.47 134.35 52.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.207 1.003 . . . . 73.52 109.385 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -117.19 122.26 43.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.566 0.746 . . . . 75.54 109.469 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -70.5 -38.07 74.28 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.916 0.886 . . . . 71.43 109.351 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.2 t -136.6 168.67 19.05 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.111 -0.949 . . . . 65.52 109.637 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -151.43 137.62 18.38 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.759 0.824 . . . . 74.44 110.347 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.0 mtp -83.9 177.49 8.29 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.996 0.918 . . . . 75.43 110.755 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.85 -74.11 2.33 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 110.901 -0.88 . . . . 73.52 110.901 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.8 p -84.42 79.07 9.69 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-O 121.825 0.821 . . . . 71.04 108.791 168.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -100.7 -173.9 2.51 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.398 1.079 . . . . 70.15 111.26 -174.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -64.31 103.22 0.61 Allowed 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.656 -0.702 . . . . 74.11 110.243 173.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 t0 59.35 74.05 0.46 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.091 1.357 . . . . 74.32 109.538 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.444 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 5.9 p-10 -65.5 -16.21 63.44 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.758 -0.656 . . . . 74.15 111.274 -177.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.18 -50.91 57.22 Favored Glycine 0 C--N 1.353 1.522 0 N-CA-C 111.676 -0.57 . . . . 75.2 111.676 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.424 HG11 HD12 ' A' ' 82' ' ' ILE . 41.0 t -63.92 -51.56 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.519 0.728 . . . . 75.21 110.129 174.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.444 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 53.2 t -53.13 -46.15 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.494 1.118 . . . . 74.45 112.02 -176.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.55 81.89 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.668 0.787 . . . . 61.21 111.851 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.472 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.2 ptm -74.96 -23.07 58.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 119.295 -0.383 . . . . 74.42 110.956 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 19' ' ' VAL . 82.2 mt -66.53 -44.93 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 108.972 -0.751 . . . . 74.35 108.972 170.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -52.59 -43.39 65.28 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.957 0.785 . . . . 75.21 111.965 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.74 -40.35 55.63 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-O 119.127 -0.464 . . . . 73.21 109.878 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.408 ' HB3' ' HE3' ' A' ' 77' ' ' MET . 57.3 mt -59.89 -29.59 68.43 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.709 0.804 . . . . 73.2 111.15 178.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.88 -57.09 4.05 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.224 -0.658 . . . . 73.32 109.224 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -59.94 -32.43 70.78 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.645 0.778 . . . . 71.43 113.068 -169.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.7 p -90.53 -46.96 7.99 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.769 0.827 . . . . 73.14 111.416 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -98.97 -47.38 5.27 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.08 0.552 . . . . 73.54 112.388 -168.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.424 ' O ' HG22 ' A' ' 35' ' ' VAL . 51.5 mm -88.27 -63.75 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.06 0.544 . . . . 75.33 111.773 -170.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 55.9 mtp180 -43.61 -53.41 12.17 Favored Pre-proline 0 N--CA 1.492 1.658 0 CA-C-O 117.584 -1.198 . . . . 73.13 113.242 -175.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 71.3 Cg_exo -52.1 -46.62 31.38 Favored 'Trans proline' 0 C--N 1.398 3.156 0 C-N-CA 122.337 2.025 . . . . 71.23 113.23 177.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.9 m -60.77 -47.68 85.24 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.89 0.876 . . . . 75.31 111.049 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.626 HG12 ' SG ' ' A' ' 60' ' ' CYS . 15.0 t -65.38 -38.85 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 115.489 -0.778 . . . . 74.13 110.441 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -68.28 -32.25 72.27 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.707 0.803 . . . . 73.01 111.642 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 32.8 mm-40 -65.92 -31.72 72.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.894 0.478 . . . . 73.52 110.797 174.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -80.74 -22.28 40.37 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.409 -0.36 . . . . 74.22 110.998 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.37 36.36 2.49 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 116.061 -0.518 . . . . 73.34 112.342 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.19 -153.29 6.08 Favored Glycine 0 C--N 1.339 0.697 0 N-CA-C 111.238 -0.745 . . . . 72.25 111.238 174.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' N ' ' HB2' ' A' ' 57' ' ' GLN . 30.0 t0 -175.55 163.45 2.94 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.339 1.056 . . . . 75.01 109.366 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.9 122.34 68.35 Favored 'Isoleucine or valine' 0 C--O 1.246 0.904 0 N-CA-C 108.511 -0.922 . . . . 72.34 108.511 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.467 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 2.3 mp -104.02 119.43 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 107.864 -1.161 . . . . 74.43 107.864 178.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -68.6 108.64 3.42 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 123.616 0.572 . . . . 74.3 110.479 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 10.6 mmpt? -88.48 -36.15 16.62 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.738 0.815 . . . . 74.41 110.69 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.21 -171.61 39.8 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 121.589 -0.339 . . . . 62.42 113.706 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -140.89 110.83 6.53 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 106.373 -1.714 . . . . 72.21 106.373 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.77 123.29 13.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.247 -0.649 . . . . 75.44 109.247 -171.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 t70 65.26 23.92 12.2 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.961 1.304 . . . . 74.2 111.484 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.23 6.43 81.47 Favored Glycine 0 C--N 1.347 1.16 0 CA-C-N 115.716 -0.675 . . . . 71.14 113.246 -176.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.0 mm -106.2 113.62 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 123.475 0.71 . . . . 75.15 109.549 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.562 ' HB ' HG21 ' A' ' 88' ' ' VAL . 36.5 t -79.96 105.42 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.563 -0.902 . . . . 75.14 108.563 174.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -87.66 121.66 30.37 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 108.88 -0.785 . . . . 75.42 108.88 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.7 mt -130.74 137.82 49.67 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.319 1.048 . . . . 73.43 110.075 -176.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 87.0 tttt -90.23 122.52 33.24 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.717 -0.846 . . . . 74.11 108.717 171.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.4 mt -96.34 138.03 34.53 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.686 -0.487 . . . . 73.12 109.686 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.404 ' HB2' ' N ' ' A' ' 41' ' ' ASP . 83.8 mm-40 -96.5 175.73 6.3 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.926 0.891 . . . . 73.11 110.408 175.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.423 ' HA2' HG21 ' A' ' 61' ' ' THR . . . -55.24 171.88 1.33 Allowed Glycine 0 C--N 1.351 1.367 0 N-CA-C 116.255 1.262 . . . . 74.33 116.255 -172.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 m 71.4 -63.09 0.43 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.637 1.575 . . . . 73.11 110.762 -172.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.626 ' SG ' HG12 ' A' ' 35' ' ' VAL . 63.9 m -65.11 -42.81 93.6 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.857 0.863 . . . . 52.32 111.894 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.495 ' HA ' HG12 ' A' ' 67' ' ' ILE . 6.6 t -85.26 -16.2 40.92 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.44 0.296 . . . . 65.53 111.338 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 m -71.3 -40.52 70.79 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.87 0.468 . . . . 72.32 110.959 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.6 m -97.32 121.47 58.55 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 123.245 0.618 . . . . 71.03 109.627 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -58.01 -35.97 98.38 Favored 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 123.659 2.906 . . . . 74.21 113.268 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -63.68 -43.07 97.74 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.231 0.612 . . . . 75.32 110.643 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.1 m -67.76 -29.82 69.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.968 0.907 . . . . 62.54 111.668 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.495 HG12 ' HA ' ' A' ' 61' ' ' THR . 78.0 mt -61.06 -51.13 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.028 0.531 . . . . 74.2 110.062 173.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.34 -44.45 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.868 0.73 . . . . 74.12 110.401 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.4 m -63.58 -45.4 90.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.731 0.812 . . . . 75.41 111.146 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.81 -51.13 61.52 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.561 0.538 . . . . 73.14 110.2 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.76 -44.56 77.75 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.111 0.964 . . . . 74.42 110.806 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -69.33 -38.77 78.36 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.736 0.815 . . . . 74.44 111.942 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.8 -47.61 84.67 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 111.865 -0.494 . . . . 72.23 111.865 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.41 -46.57 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.801 0.84 . . . . 73.04 109.605 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.438 ' NE2' ' HA2' ' A' ' 87' ' ' GLY . 63.5 tt0 -56.48 -55.82 28.88 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.326 1.016 . . . . 74.31 111.089 -177.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.406 ' N ' HD21 ' A' ' 76' ' ' ASN . 0.8 OUTLIER -62.62 -38.1 88.89 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.747 0.819 . . . . 70.23 111.31 -176.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.408 ' HE3' ' HB3' ' A' ' 26' ' ' LEU . 31.9 ttp -61.86 -49.06 77.78 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.14 0.576 . . . . 73.31 110.645 177.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.524 ' HB3' HG21 ' A' ' 85' ' ' VAL . 94.4 mt -66.25 -38.67 88.41 Favored 'General case' 0 C--O 1.212 -0.916 0 C-N-CA 123.953 0.901 . . . . 74.32 111.041 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.9 mt-30 -67.8 -30.51 69.95 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.541 0.736 . . . . 75.3 111.198 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.77 -47.88 84.33 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 123.891 0.745 . . . . 74.02 110.534 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -88.41 -30.35 19.55 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.436 0.694 . . . . 74.1 111.151 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.472 HD11 ' HG3' ' A' ' 22' ' ' MET . 46.1 mt -131.27 94.0 28.26 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.401 1.08 . . . . 73.34 108.965 -169.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.08 -3.41 12.81 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 122.509 2.139 . . . . 75.32 112.986 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -69.9 -28.88 65.99 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.997 0.919 . . . . 74.34 110.059 173.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 78' ' ' LEU . 69.4 t -70.83 106.23 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 108.964 -0.754 . . . . 74.41 108.964 174.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -92.0 -33.52 14.8 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.388 0.675 . . . . 65.34 109.737 172.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.438 ' HA2' ' NE2' ' A' ' 75' ' ' GLN . . . -151.47 167.97 30.9 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.797 -0.638 . . . . 71.12 113.122 -177.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.562 HG21 ' HB ' ' A' ' 52' ' ' VAL . 61.4 t -132.81 136.74 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 106.908 -1.516 . . . . 64.55 106.908 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -125.3 131.58 53.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.112 0.565 . . . . 61.54 110.184 -171.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -84.29 108.66 17.27 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.288 -1.004 . . . . 75.21 108.288 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.64 110.32 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 124.028 0.931 . . . . 65.43 109.176 176.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 21.8 ptp -78.13 85.07 4.34 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.011 -1.107 . . . . 75.2 108.011 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -98.68 91.41 5.1 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 114.704 -1.135 . . . . 75.53 109.218 -174.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -157.66 112.9 2.74 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.058 -0.719 . . . . 74.34 109.058 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.37 11.23 2.52 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 113.446 0.906 . . . . 62.25 113.446 -169.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.6 p -73.47 -27.96 61.69 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 118.14 0.427 . . . . 72.35 110.297 171.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 C--O 1.252 1.187 0 CA-C-N 115.351 -0.84 . . . . 70.2 108.872 173.013 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.437 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.4 mpt? . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 108.984 -0.747 . . . . 71.51 108.984 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.77 99.46 1.37 Allowed Glycine 0 C--N 1.344 0.991 0 O-C-N 123.734 0.646 . . . . 72.22 111.75 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 7' ' ' HIS . 16.2 m-70 -73.97 110.75 8.5 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.325 -0.991 . . . . 61.54 108.325 174.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -64.62 -35.58 81.46 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.931 0.892 . . . . 74.45 112.53 -168.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -94.53 -82.75 0.36 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.559 -0.534 . . . . 75.33 109.559 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -91.66 113.06 25.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.977 0.911 . . . . 71.43 109.968 -172.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 3' ' ' HIS . 8.3 p80 -151.75 132.02 13.66 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.25 -1.018 . . . . 64.13 108.25 173.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -74.49 110.34 8.71 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.45 -0.574 . . . . 74.3 109.45 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.0 t -77.79 -38.0 47.59 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 109.102 -0.703 . . . . 73.33 109.102 174.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -140.6 98.62 3.45 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.71 1.204 . . . . 71.2 108.214 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.1 ttt -76.67 83.13 3.31 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.651 -0.87 . . . . 75.44 108.651 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.28 168.33 36.49 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 114.426 -1.261 . . . . 64.11 110.342 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.5 t -151.67 29.05 0.61 Allowed 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 116.965 0.383 . . . . 75.51 111.367 -168.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.34 145.59 55.54 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 109.769 -0.456 . . . . 75.41 109.769 -177.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 79.88 0.27 Allowed 'General case' 0 CA--C 1.558 1.269 0 CA-C-O 122.373 1.082 . . . . 75.42 109.337 176.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -75.23 166.15 24.08 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-N 114.982 -1.008 . . . . 73.54 111.179 -168.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -65.13 -15.31 62.27 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.359 -1.291 . . . . 71.41 112.077 -176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.38 -45.43 93.34 Favored Glycine 0 C--N 1.357 1.728 0 N-CA-C 112.003 -0.439 . . . . 63.33 112.003 174.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 23' ' ' ILE . 59.4 t -64.49 -52.49 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.518 0.727 . . . . 60.35 110.158 175.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.93 -43.41 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.287 1.035 . . . . 72.43 111.58 -174.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -44.02 78.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.598 0.759 . . . . 73.42 111.367 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.42 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.8 ptm -70.48 -30.1 66.81 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 119.071 -0.49 . . . . 74.5 110.742 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 19' ' ' VAL . 72.7 mt -63.4 -48.05 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 109.136 -0.69 . . . . 75.43 109.136 172.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -53.26 -47.9 68.71 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 123.927 0.767 . . . . 73.32 111.297 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.62 -41.39 65.6 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 123.77 0.669 . . . . 64.23 110.705 -174.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 22' ' ' MET . 83.9 mt -60.06 -36.28 76.99 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.946 0.499 . . . . 74.23 110.634 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.7 mt -71.3 -52.02 21.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.813 -0.63 . . . . 74.44 109.753 174.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.36 -24.54 66.52 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.534 0.734 . . . . 64.43 112.806 -169.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.3 p -96.59 -40.8 8.85 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.387 0.675 . . . . 72.51 111.794 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HD2' ' SD ' ' A' ' 77' ' ' MET . 40.8 mtt180 -98.5 -54.5 3.02 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.843 0.457 . . . . 72.4 111.648 -172.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -86.29 -60.19 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 116.129 -0.487 . . . . 71.41 110.929 -166.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -47.1 -52.35 34.89 Favored Pre-proline 0 N--CA 1.488 1.432 0 CA-C-O 117.175 -1.393 . . . . 70.01 112.5 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.49 -43.37 58.75 Favored 'Trans proline' 0 C--N 1.408 3.669 0 C-N-CA 122.458 2.106 . . . . 72.13 112.635 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.0 m -59.66 -47.94 83.63 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.055 0.942 . . . . 72.12 110.938 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.721 HG11 ' SG ' ' A' ' 60' ' ' CYS . 24.4 t -71.59 -33.52 49.46 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 CA-C-N 114.965 -1.016 . . . . 73.03 110.224 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -66.54 -38.61 87.5 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.8 0.84 . . . . 73.22 110.755 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -69.68 -28.69 66.07 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.138 0.575 . . . . 74.43 110.495 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -77.6 -22.13 51.29 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.712 0.805 . . . . 74.52 110.828 176.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.67 8.78 22.22 Favored Glycine 0 N--CA 1.476 1.364 0 CA-C-O 120.065 -0.297 . . . . 60.15 113.721 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.14 -145.09 7.34 Favored Glycine 0 N--CA 1.47 0.941 0 CA-C-O 119.682 -0.51 . . . . 74.4 112.105 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -179.29 161.03 1.06 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.466 1.507 . . . . 74.14 108.956 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.2 m -124.57 118.5 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 108.238 -1.023 . . . . 71.03 108.238 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.434 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -106.25 120.55 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 108.261 -1.014 . . . . 73.04 108.261 -176.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -66.46 109.77 2.87 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.503 -0.554 . . . . 73.44 109.503 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' HG3' HG22 ' A' ' 91' ' ' VAL . 10.6 mmpt? -90.07 -38.36 13.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.296 0.639 . . . . 72.1 110.23 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 170.96 -171.42 43.86 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 121.101 -0.571 . . . . 75.32 113.675 177.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -144.68 111.09 5.6 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 106.502 -1.666 . . . . 71.2 106.502 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -124.86 133.51 53.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.249 -1.019 . . . . 75.44 108.249 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 67.67 -81.65 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 125.009 1.324 . . . . 73.21 109.817 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.89 15.79 0.36 Allowed Glycine 0 C--N 1.343 0.939 0 C-N-CA 123.814 0.721 . . . . 53.42 111.304 175.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.6 mm -108.19 116.01 50.47 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 C-N-CA 124.028 0.931 . . . . 75.11 108.774 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.537 ' HB ' HG21 ' A' ' 88' ' ' VAL . 46.9 t -78.73 103.59 5.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 N-CA-C 108.012 -1.107 . . . . 75.21 108.012 175.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -88.6 114.71 25.5 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 115.44 -0.8 . . . . 73.11 109.674 -174.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.0 mt -121.74 139.26 53.81 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.23 1.012 . . . . 73.12 110.618 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.541 ' HE2' ' NE2' ' A' ' 57' ' ' GLN . 83.4 tttt -88.6 114.42 25.2 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.173 0.989 . . . . 72.23 108.49 173.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.605 HD13 HD22 ' A' ' 70' ' ' LEU . 25.0 mt -95.92 134.63 38.68 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.085 -0.709 . . . . 74.2 109.085 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.541 ' NE2' ' HE2' ' A' ' 55' ' ' LYS . 81.6 mm-40 -95.23 174.43 7.06 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.699 0.8 . . . . 73.33 110.218 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.48 174.33 3.91 Favored Glycine 0 C--N 1.361 1.929 0 O-C-N 124.329 1.018 . . . . 53.24 113.945 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.0 t 76.76 -55.11 0.57 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.418 1.487 . . . . 64.44 111.048 -176.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.721 ' SG ' HG11 ' A' ' 35' ' ' VAL . 85.8 m -78.79 -27.87 44.57 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.376 0.671 . . . . 75.22 111.464 176.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.2 p -77.7 -18.31 56.75 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.704 0.402 . . . . 74.4 111.662 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.9 m -60.84 119.11 7.58 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.353 0.661 . . . . 53.14 109.873 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.4 m 68.45 121.6 0.03 OUTLIER Pre-proline 0 CA--C 1.56 1.364 0 C-N-CA 125.327 1.451 . . . . 73.44 111.103 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.472 ' HA ' HD11 ' A' ' 67' ' ' ILE . 85.7 Cg_exo -50.57 -26.41 16.75 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 123.811 3.007 . . . . 63.14 114.329 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.3 t -56.71 -47.66 79.45 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.24 1.016 . . . . 73.13 110.851 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.0 m -72.11 -28.39 63.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.232 0.613 . . . . 74.23 111.962 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.472 HD11 ' HA ' ' A' ' 64' ' ' PRO . 66.4 mt -65.37 -43.21 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.416 0.686 . . . . 73.05 110.395 173.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 64' ' ' PRO . 83.4 mt -63.09 -45.81 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.638 0.775 . . . . 63.41 109.7 177.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.4 m -63.39 -40.8 98.2 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.781 0.832 . . . . 72.15 111.375 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.605 HD22 HD13 ' A' ' 56' ' ' LEU . 28.9 tp -67.37 -48.23 68.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 122.943 0.497 . . . . 65.41 109.997 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -55.09 -46.74 75.5 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.865 0.866 . . . . 74.11 110.869 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -68.47 -48.76 63.66 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.732 1.27 . . . . 74.1 111.161 -168.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.31 -46.63 90.17 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 123.824 0.703 . . . . 71.32 112.509 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.72 -43.44 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.902 0.881 . . . . 74.55 110.526 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.14 -50.72 69.32 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.333 -0.849 . . . . 64.24 110.438 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -59.0 -36.73 75.42 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.018 0.824 . . . . 70.22 111.242 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.404 ' SD ' ' HD2' ' A' ' 30' ' ' ARG . 54.6 ttp -64.41 -57.3 9.67 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.261 0.624 . . . . 73.44 110.218 178.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.54 ' HB3' HG23 ' A' ' 85' ' ' VAL . 97.2 mt -66.63 -28.25 68.34 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.743 0.817 . . . . 72.41 112.069 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.441 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.3 mt-30 -75.76 -35.41 60.17 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.015 0.526 . . . . 74.35 110.664 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -62.34 -49.33 76.0 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.752 0.821 . . . . 74.32 109.737 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -79.85 -36.39 36.79 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.628 -0.714 . . . . 73.33 111.985 -178.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.4 mt -126.98 115.31 22.04 Favored Pre-proline 0 N--CA 1.488 1.44 0 C-N-CA 123.447 0.699 . . . . 75.11 110.667 -169.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.17 -9.79 26.13 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 123.041 2.494 . . . . 75.32 113.679 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -76.38 -28.52 56.78 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.27 0.628 . . . . 75.23 110.779 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' A' ' 78' ' ' LEU . 98.3 t -73.99 99.86 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 123.372 0.669 . . . . 70.42 110.179 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -77.83 -33.38 52.35 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.663 0.785 . . . . 62.34 110.015 173.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.93 179.51 40.66 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 116.233 -0.44 . . . . 75.41 112.938 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.537 HG21 ' HB ' ' A' ' 52' ' ' VAL . 52.7 t -133.53 135.99 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.613 1.165 . . . . 73.43 108.375 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -122.26 154.17 37.91 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.122 0.569 . . . . 72.34 110.578 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -94.93 108.25 20.29 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.334 -0.987 . . . . 64.43 108.334 167.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.437 HG22 ' HG3' ' A' ' 45' ' ' LYS . 3.7 m -102.51 110.68 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.261 -1.015 . . . . 74.13 108.261 169.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 96.1 mmm -80.6 87.99 5.73 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 115.442 -0.799 . . . . 74.42 110.195 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.413 ' HB3' ' HD2' ' A' ' 55' ' ' LYS . 13.9 t70 -82.6 67.59 8.71 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 114.674 -1.148 . . . . 72.53 108.291 171.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -94.0 126.35 39.16 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.759 -0.655 . . . . 74.45 109.38 -177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.02 -37.56 75.66 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 109.105 -0.702 . . . . 74.42 109.105 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.9 m -142.28 152.84 43.4 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.419 1.087 . . . . 64.14 109.263 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 N--CA 1.483 1.205 0 C-N-CA 124.03 0.932 . . . . 74.23 109.892 177.497 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 110.291 -0.262 . . . . 74.31 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.43 124.2 0.77 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 109.744 -1.342 . . . . 74.0 109.744 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -73.78 93.52 2.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.202 0.601 . . . . 73.31 110.945 -174.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -111.47 95.71 5.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.546 0.689 . . . . 74.5 109.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -145.55 39.05 1.15 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.891 0.876 . . . . 65.12 110.305 -176.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -128.87 -39.68 1.58 Allowed 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 115.32 -0.855 . . . . 75.02 109.62 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -156.72 114.26 3.18 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.169 -0.923 . . . . 73.32 108.921 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -90.32 136.77 32.85 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.023 0.439 . . . . 75.52 109.851 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -148.08 151.65 36.03 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 124.844 1.257 . . . . 73.33 108.236 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 61.3 64.83 1.04 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.887 0.875 . . . . 75.42 109.853 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -139.43 169.5 17.63 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 114.342 -1.299 . . . . 75.1 109.625 -174.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.77 -19.12 76.2 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 116.102 -0.499 . . . . 64.42 112.46 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m -73.73 114.81 12.42 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 123.67 0.788 . . . . 73.42 110.176 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -160.4 36.84 0.17 Allowed 'General case' 0 C--O 1.244 0.804 0 C-N-CA 124.45 1.1 . . . . 75.4 109.452 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -56.81 152.98 11.56 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 114.858 -1.065 . . . . 73.31 111.167 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.01 141.06 23.32 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.697 1.199 . . . . 75.31 113.887 -164.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -72.25 -18.13 61.84 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.973 -1.012 . . . . 64.21 111.286 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.71 -34.5 66.67 Favored Glycine 0 C--N 1.349 1.281 0 N-CA-C 111.828 -0.509 . . . . 74.21 111.828 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 23' ' ' ILE . 47.4 t -64.78 -47.53 88.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 C-N-CA 123.105 0.562 . . . . 72.05 109.631 173.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 68.8 t -52.59 -46.78 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.296 1.039 . . . . 71.5 110.54 175.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.69 91.77 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 124.347 1.029 . . . . 70.41 111.892 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.88 -28.46 61.57 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 119.326 -0.369 . . . . 65.14 111.56 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 19' ' ' VAL . 83.7 mt -63.43 -42.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 N-CA-C 109.027 -0.731 . . . . 75.24 109.027 173.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 98.9 mttt -52.91 -45.68 67.7 Favored 'General case' 0 C--N 1.36 1.038 0 O-C-N 124.169 0.918 . . . . 75.4 111.185 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.98 -41.05 37.29 Favored 'General case' 0 C--O 1.212 -0.921 0 O-C-N 123.639 0.587 . . . . 75.1 110.637 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.39 -29.14 65.82 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 118.32 0.509 . . . . 74.43 110.967 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.5 mt -78.54 -58.22 3.36 Favored 'General case' 0 C--O 1.218 -0.59 0 C-N-CA 123.11 0.564 . . . . 73.14 109.636 171.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.3 -31.4 72.0 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.162 0.801 . . . . 73.42 113.162 -167.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.6 p -91.71 -41.35 10.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.683 0.793 . . . . 72.35 111.382 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -100.71 -55.08 2.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.818 0.447 . . . . 74.44 111.263 -171.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.5 mm -84.48 -56.63 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.011 0.524 . . . . 74.34 111.673 -166.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -48.62 -51.39 53.19 Favored Pre-proline 0 N--CA 1.484 1.257 0 CA-C-O 117.416 -1.278 . . . . 75.34 112.282 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.508 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 75.5 Cg_exo -52.16 -43.35 53.8 Favored 'Trans proline' 0 C--N 1.409 3.721 0 C-N-CA 122.44 2.094 . . . . 74.23 112.324 176.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -62.84 -48.78 77.59 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.348 1.059 . . . . 73.13 111.512 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 42' ' ' VAL . 8.7 t -69.79 -31.49 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 115.872 -0.604 . . . . 72.14 110.588 -176.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -70.35 -29.71 66.46 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.621 0.768 . . . . 73.2 111.187 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 28.1 mm-40 -68.97 -33.33 73.52 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 121.156 0.503 . . . . 75.54 109.916 171.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -79.97 -19.05 48.81 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.625 -0.716 . . . . 75.41 110.916 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.29 -32.04 4.26 Favored Glycine 0 C--N 1.351 1.414 0 C-N-CA 123.298 0.475 . . . . 74.44 113.274 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.91 -150.17 26.08 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 119.971 -0.35 . . . . 73.35 112.96 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -170.4 158.93 6.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.851 0.86 . . . . 72.14 109.908 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.426 HG13 HG22 ' A' ' 35' ' ' VAL . 34.2 m -117.66 120.35 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 108.318 -0.993 . . . . 75.13 108.318 174.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.05 120.76 61.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 108.032 -1.099 . . . . 74.33 108.032 -178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -68.54 122.42 18.43 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.857 -0.423 . . . . 74.14 109.857 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -111.55 -36.74 5.42 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.365 0.666 . . . . 73.11 112.113 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.03 178.33 48.21 Favored Glycine 0 C--N 1.34 0.761 0 C-N-CA 120.672 -0.775 . . . . 72.51 113.762 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -152.87 109.81 3.48 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 106.67 -1.604 . . . . 74.32 106.67 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -151.93 133.41 14.62 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 123.694 0.797 . . . . 74.21 110.099 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 67.95 19.44 9.41 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.743 1.217 . . . . 74.44 111.068 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.78 90.13 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 116.55 -0.295 . . . . 75.35 112.949 -173.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -101.74 111.07 30.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 C-N-CA 123.529 0.732 . . . . 70.41 109.623 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.528 ' HB ' HG23 ' A' ' 88' ' ' VAL . 14.5 t -79.63 107.65 12.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 N-CA-C 107.939 -1.134 . . . . 74.41 107.939 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -90.13 111.74 22.98 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 109.472 -0.566 . . . . 74.31 109.472 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.83 137.19 54.87 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.232 1.013 . . . . 75.23 110.361 -175.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -88.31 132.41 34.42 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.009 -0.737 . . . . 71.44 109.009 174.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.429 HD13 HG21 ' A' ' 67' ' ' ILE . 47.9 mt -105.73 143.77 33.41 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 108.968 -0.752 . . . . 75.22 108.968 176.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -98.04 172.78 7.4 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.359 0.664 . . . . 75.43 112.167 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.18 164.32 6.41 Favored Glycine 0 C--N 1.361 1.919 0 CA-C-N 114.598 -1.183 . . . . 74.14 113.652 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m 76.93 -49.82 0.55 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 125.248 1.419 . . . . 63.23 110.535 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.4 t -71.46 -42.01 68.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.481 0.713 . . . . 61.32 110.15 172.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.1 p -76.9 -21.03 55.51 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.915 -0.584 . . . . 72.55 112.067 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -59.93 -39.63 86.15 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.488 0.715 . . . . 74.41 111.439 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 p -110.12 122.88 37.54 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 123.298 0.639 . . . . 64.34 109.527 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.46 -28.62 26.47 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 123.182 2.588 . . . . 65.1 113.992 -168.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.5 m -69.72 -35.81 75.34 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.452 0.301 . . . . 72.51 110.591 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.3 t -64.5 -36.5 84.39 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.752 0.821 . . . . 73.11 111.191 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.429 HG21 HD13 ' A' ' 56' ' ' LEU . 67.6 mt -55.98 -52.62 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.803 0.841 . . . . 75.33 110.466 175.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -71.32 -46.41 65.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 114.51 -1.223 . . . . 74.4 110.879 -173.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 m -60.48 -43.22 97.19 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.754 0.821 . . . . 71.35 111.018 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.1 tp -63.87 -53.79 45.08 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 123.826 0.704 . . . . 64.0 109.929 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.82 -36.88 72.85 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 124.297 0.998 . . . . 64.32 111.153 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -71.48 -41.75 68.96 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.426 0.691 . . . . 73.31 110.997 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.01 -44.22 98.09 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 111.806 -0.518 . . . . 71.12 111.806 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.17 -42.08 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 124.42 1.088 . . . . 73.13 109.999 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 32.6 tt0 -59.45 -52.71 64.43 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 123.86 0.864 . . . . 60.14 110.118 -177.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -64.7 -32.58 74.32 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 124.238 0.961 . . . . 73.4 110.781 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 47.8 ttp -66.27 -50.96 61.92 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.375 0.67 . . . . 75.45 110.799 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.547 ' HB3' HG22 ' A' ' 85' ' ' VAL . 90.4 mt -69.39 -30.42 68.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.569 0.748 . . . . 73.43 111.446 -176.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 47.4 mt-30 -77.65 -24.99 49.31 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.843 0.457 . . . . 74.11 110.928 175.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -73.21 -45.67 54.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.189 0.995 . . . . 73.33 110.326 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -81.76 -44.6 16.79 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.926 0.393 . . . . 74.13 111.424 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.1 mt -113.19 121.42 38.05 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.712 0.805 . . . . 73.15 110.283 -169.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -67.43 -26.15 41.11 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.966 2.444 . . . . 74.33 113.195 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -68.74 -31.48 70.57 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.284 0.633 . . . . 73.21 112.19 -174.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.547 HG22 ' HB3' ' A' ' 78' ' ' LEU . 70.7 t -69.69 103.96 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.207 0.527 . . . . 74.3 109.73 178.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.93 -21.13 21.51 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.436 1.094 . . . . 73.12 110.942 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.87 176.67 44.93 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 115.832 -0.622 . . . . 53.54 112.103 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.528 HG23 ' HB ' ' A' ' 52' ' ' VAL . 76.7 t -141.04 138.36 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 107.45 -1.315 . . . . 63.43 107.45 178.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -129.84 146.92 51.56 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.315 0.646 . . . . 72.05 109.787 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -84.24 115.58 22.52 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.198 -1.038 . . . . 75.42 108.198 172.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.0 m -112.94 118.49 58.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 C-N-CA 123.414 0.686 . . . . 71.35 109.393 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.6 ptp -82.55 82.83 7.8 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 122.397 1.094 . . . . 75.42 108.352 172.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -86.81 101.54 13.44 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 114.361 -1.29 . . . . 61.04 107.551 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -155.83 162.26 40.49 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.113 -0.494 . . . . 71.25 110.851 -168.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -152.92 15.81 0.56 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.7 1.2 . . . . 73.14 110.469 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.2 p -145.58 -65.57 0.32 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 122.703 0.401 . . . . 75.04 111.144 -171.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 N--CA 1.484 1.27 0 C-N-CA 123.483 0.713 . . . . 62.23 109.479 178.286 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptp . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 121.16 0.505 . . . . 73.35 110.493 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.39 -88.87 0.21 Allowed Glycine 0 C--N 1.347 1.191 0 CA-C-N 115.581 -0.736 . . . . 74.22 112.964 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 61.68 48.13 5.83 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.82 1.248 . . . . 62.44 109.739 -174.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -69.14 142.43 54.37 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.0 -1.454 . . . . 74.41 110.077 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -81.48 70.91 8.45 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.892 0.853 . . . . 72.31 110.311 -175.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -69.01 -54.63 14.16 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.707 1.203 . . . . 65.4 111.28 -172.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -61.19 -31.18 70.93 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.195 0.598 . . . . 75.22 112.506 -170.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.5 m80 67.75 -66.84 0.2 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.11 1.364 . . . . 72.44 112.927 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.0 m -37.23 101.0 0.02 OUTLIER 'General case' 0 C--N 1.359 1.004 0 C-N-CA 125.657 1.583 . . . . 73.24 113.476 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -73.42 115.87 13.3 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.964 -1.016 . . . . 74.11 109.94 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.3 ttm -79.34 82.31 5.5 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 108.933 -0.765 . . . . 74.42 108.933 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.15 177.64 25.17 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 114.837 -1.074 . . . . 70.33 111.448 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.5 m -87.54 58.22 4.82 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.59 0.756 . . . . 63.04 110.375 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.7 -174.69 5.09 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.994 0.917 . . . . 71.11 111.659 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 65.16 21.09 12.11 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.381 1.086 . . . . 74.31 109.176 -167.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -80.2 -172.36 3.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.641 1.576 . . . . 63.11 112.542 -165.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.506 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 7.3 p-10 -61.2 -19.64 61.85 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.685 1.194 . . . . 72.12 112.846 -174.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.08 -49.18 63.53 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 111.703 -0.559 . . . . 71.45 111.703 173.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 23' ' ' ILE . 47.2 t -63.47 -48.02 88.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.636 0.774 . . . . 72.42 109.996 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.506 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 49.9 t -55.71 -43.02 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 125.261 1.424 . . . . 75.45 111.738 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.28 84.51 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.657 0.783 . . . . 63.24 112.008 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.2 ptm -73.57 -26.62 60.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.356 -0.384 . . . . 65.54 111.27 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 19' ' ' VAL . 70.0 mt -64.74 -49.24 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 108.829 -0.804 . . . . 75.33 108.829 172.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -50.88 -46.05 60.3 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.126 0.97 . . . . 64.05 112.056 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.17 -42.41 65.91 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 123.543 0.527 . . . . 72.41 110.298 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -64.61 -26.55 68.45 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.192 0.597 . . . . 74.24 111.162 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.94 -54.26 7.54 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.549 -0.537 . . . . 71.04 109.549 171.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.99 -22.51 64.09 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.57 -0.741 . . . . 74.54 112.079 -169.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.2 p -91.26 -39.05 12.29 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.803 0.841 . . . . 75.04 111.059 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 59.1 mtp180 -109.9 -60.83 1.74 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.824 0.45 . . . . 73.12 112.205 -171.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.7 mm -74.93 -60.81 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 119.066 -0.492 . . . . 73.25 111.163 -165.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -47.18 -51.52 40.98 Favored Pre-proline 0 C--N 1.367 1.336 0 CA-C-O 117.292 -1.337 . . . . 73.32 111.852 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -49.18 -47.04 23.39 Favored 'Trans proline' 0 C--N 1.404 3.459 0 C-N-CA 122.873 2.382 . . . . 75.22 113.818 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 m -63.84 -46.19 86.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.741 0.816 . . . . 75.14 111.125 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.743 HG12 ' SG ' ' A' ' 60' ' ' CYS . 40.5 t -69.77 -33.78 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 123.937 0.895 . . . . 71.21 110.819 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 70.5 mt-30 -64.49 -40.94 96.62 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.863 0.865 . . . . 73.43 110.755 176.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.59 -32.4 72.27 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.823 0.702 . . . . 74.01 111.209 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.61 -23.31 61.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.041 0.536 . . . . 70.21 110.395 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.44 -20.85 5.79 Favored Glycine 0 C--N 1.342 0.882 0 CA-C-N 116.354 -0.384 . . . . 73.35 113.052 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -98.24 -141.68 12.51 Favored Glycine 0 C--N 1.342 0.864 0 CA-C-O 120.079 -0.289 . . . . 63.25 113.487 -178.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -178.73 159.93 1.13 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.773 1.629 . . . . 73.24 108.194 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.74 112.58 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 108.944 -0.762 . . . . 74.52 108.944 175.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.503 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.3 mp -97.54 117.6 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 107.988 -1.116 . . . . 74.41 107.988 -178.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -67.46 112.1 4.46 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.854 0.462 . . . . 73.54 110.059 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -97.6 -32.77 11.62 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.153 0.981 . . . . 71.42 111.471 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.26 -170.48 42.59 Favored Glycine 0 C--N 1.343 0.928 0 C-N-CA 120.767 -0.73 . . . . 74.41 113.796 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -153.43 108.58 3.19 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.949 -1.13 . . . . 72.03 107.949 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -135.28 125.06 25.41 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 108.672 -0.862 . . . . 75.44 108.672 -171.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.4 t70 66.86 24.66 9.71 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.623 1.169 . . . . 74.21 111.029 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.7 11.47 83.95 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 115.716 -0.674 . . . . 55.41 113.031 -175.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.5 mm -108.72 116.62 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 123.547 0.739 . . . . 75.23 109.544 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.457 ' HB ' HG21 ' A' ' 88' ' ' VAL . 16.4 t -80.08 107.84 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.777 0.831 . . . . 74.12 109.463 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -82.69 113.78 20.6 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 109.341 -0.615 . . . . 73.34 109.341 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.9 mt -126.72 140.32 52.48 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.388 1.075 . . . . 72.24 109.787 -177.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.601 ' HZ2' ' NE2' ' A' ' 57' ' ' GLN . 42.2 tttm -93.36 113.15 25.25 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.651 -0.87 . . . . 74.43 108.651 176.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.566 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 18.8 mt -89.18 135.06 33.78 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.367 -0.975 . . . . 71.3 108.367 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.601 ' NE2' ' HZ2' ' A' ' 55' ' ' LYS . 69.3 mm-40 -94.22 177.4 5.97 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.126 0.97 . . . . 74.43 109.526 175.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.8 168.07 1.49 Allowed Glycine 0 C--N 1.356 1.652 0 O-C-N 123.726 0.641 . . . . 73.44 114.513 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.6 m 76.53 -53.13 0.59 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.756 1.622 . . . . 72.44 111.398 -172.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.743 ' SG ' HG12 ' A' ' 35' ' ' VAL . 70.1 m -75.01 -30.88 61.26 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.76 0.824 . . . . 73.23 111.684 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.8 p -78.85 -10.19 59.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.239 0.616 . . . . 73.4 111.959 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 m -66.94 108.91 2.75 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 123.23 0.612 . . . . 75.4 109.865 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 84.2 m 72.97 139.05 0.06 OUTLIER Pre-proline 0 CA--C 1.56 1.361 0 C-N-CA 125.048 1.339 . . . . 73.21 111.469 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -56.6 -35.43 97.16 Favored 'Trans proline' 0 C--N 1.386 2.52 0 C-N-CA 123.177 2.585 . . . . 75.21 113.053 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -60.98 -38.45 86.03 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.224 0.61 . . . . 72.34 112.336 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 m -68.51 -39.74 81.11 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.874 0.47 . . . . 71.14 110.905 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.4 mt -58.32 -47.47 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.149 0.98 . . . . 74.52 110.619 173.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.5 -43.99 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.968 0.907 . . . . 75.12 110.666 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.8 m -64.44 -46.67 82.16 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.25 0.62 . . . . 75.54 111.189 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 56' ' ' LEU . 45.2 tp -62.86 -52.0 64.83 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.896 0.747 . . . . 73.13 109.996 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HG2' ' HB ' ' A' ' 88' ' ' VAL . 1.1 tmmt? -54.66 -42.09 70.92 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.878 1.271 . . . . 72.54 111.593 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -71.48 -38.44 71.23 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.462 0.705 . . . . 75.42 111.646 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.63 -49.65 67.56 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 111.962 -0.455 . . . . 55.15 111.962 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.6 mt -58.31 -48.9 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.585 1.154 . . . . 74.05 110.22 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -55.19 -60.52 3.27 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.56 1.163 . . . . 73.45 111.209 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.414 ' N ' HD21 ' A' ' 76' ' ' ASN . 0.8 OUTLIER -64.31 -33.9 76.9 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.176 0.923 . . . . 73.5 111.5 -173.754 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.472 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 38.5 ttp -62.8 -55.36 27.08 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.791 0.682 . . . . 64.55 109.75 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' HB3' HG21 ' A' ' 85' ' ' VAL . 95.2 mt -60.4 -35.93 76.9 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.674 0.789 . . . . 75.44 111.443 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.28 -29.57 70.66 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.775 0.83 . . . . 72.14 112.114 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -66.51 -35.93 81.46 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.505 0.722 . . . . 75.31 110.682 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -94.96 -29.21 14.76 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.171 0.588 . . . . 70.51 111.244 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.1 mt -131.54 115.53 15.98 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 124.083 0.953 . . . . 73.4 109.874 -166.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.88 -23.96 34.4 Favored 'Trans proline' 0 C--N 1.369 1.654 0 C-N-CA 123.182 2.588 . . . . 63.32 113.01 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -63.07 -38.93 93.13 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 74.41 112.111 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.471 HG21 ' HB3' ' A' ' 78' ' ' LEU . 78.4 t -64.72 98.6 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-O 121.512 0.672 . . . . 70.34 110.867 -177.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -80.28 -39.44 28.84 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.958 -1.019 . . . . 73.15 110.302 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -160.42 -177.66 33.71 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.073 -0.512 . . . . 72.53 112.941 -175.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.457 HG21 ' HB ' ' A' ' 52' ' ' VAL . 73.2 t -135.05 132.44 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.835 1.254 . . . . 73.43 107.67 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -114.54 135.75 53.78 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.422 1.089 . . . . 75.24 109.175 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.566 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 47.5 tt0 -86.26 132.62 33.95 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 109.339 -0.615 . . . . 72.12 109.339 171.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 11.8 m -129.22 150.9 35.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.903 1.281 . . . . 72.34 108.109 173.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 18.8 ptm -140.8 132.05 26.56 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.695 0.398 . . . . 62.22 110.317 -176.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.4 139.58 40.99 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.811 0.844 . . . . 65.5 109.967 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.7 t70 60.54 86.16 0.1 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.789 1.236 . . . . 73.44 111.734 175.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -114.63 -15.23 12.0 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 114.983 -1.008 . . . . 73.5 109.599 169.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.5 t -155.61 100.28 2.08 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 124.807 1.243 . . . . 51.24 108.13 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 N--CA 1.476 0.858 0 C-N-CA 123.075 0.55 . . . . 64.13 110.041 -177.307 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.1 tpp . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 108.274 -1.01 . . . . 73.32 108.274 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.1 -65.42 3.98 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 114.467 0.547 . . . . 62.4 114.467 167.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.1 m170 -65.35 -12.73 54.87 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.291 1.036 . . . . 72.23 113.215 -166.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -91.94 56.63 2.95 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.962 0.905 . . . . 74.31 109.004 173.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -70.22 -33.13 71.3 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.571 0.748 . . . . 75.01 110.758 175.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -66.73 100.5 0.7 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.469 0.708 . . . . 74.13 110.194 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -121.48 148.58 44.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.206 1.002 . . . . 74.35 109.571 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -144.19 125.01 14.21 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.065 0.946 . . . . 74.43 109.292 173.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.0 m -71.35 100.91 2.25 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 107.362 -1.347 . . . . 74.04 107.362 165.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -131.36 31.76 4.31 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.388 0.613 . . . . 74.33 110.764 -165.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 80.0 mtp -69.76 -31.52 69.52 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.087 -1.079 . . . . 72.43 108.087 159.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.61 -84.6 0.06 OUTLIER Glycine 0 CA--C 1.521 0.437 0 N-CA-C 107.825 -2.11 . . . . 74.24 107.825 161.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -155.74 -57.55 0.1 Allowed 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.141 -1.429 . . . . 73.12 107.141 173.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.25 98.59 4.15 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 106.144 -1.798 . . . . 73.32 106.144 173.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -65.79 162.5 18.64 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.572 0.749 . . . . 75.2 111.474 -168.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.407 ' O ' HG21 ' A' ' 20' ' ' VAL . 6.3 m-20 -65.52 78.06 0.07 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.116 0.967 . . . . 74.34 112.959 -169.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.19 -23.86 63.03 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.808 0.843 . . . . 70.34 111.413 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.9 -49.22 64.15 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.746 0.654 . . . . 72.4 112.077 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 23' ' ' ILE . 84.7 t -60.55 -49.35 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.617 0.767 . . . . 75.22 109.936 175.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.504 HG12 ' HE3' ' A' ' 24' ' ' LYS . 74.8 t -55.5 -45.65 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.411 1.085 . . . . 73.43 111.471 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.76 -40.38 72.68 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.837 0.855 . . . . 73.13 111.795 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.402 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.1 ptm -73.36 -28.51 62.08 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 119.177 -0.44 . . . . 72.02 110.64 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 19' ' ' VAL . 86.9 mt -62.74 -47.4 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 N-CA-C 109.139 -0.689 . . . . 74.42 109.139 170.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.504 ' HE3' HG12 ' A' ' 20' ' ' VAL . 99.7 mttt -51.53 -46.23 63.25 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 124.111 0.882 . . . . 74.42 111.898 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.58 -35.87 52.6 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 119.065 -0.493 . . . . 63.34 110.825 -176.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 22' ' ' MET . 71.6 mt -61.59 -30.55 70.75 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 118.39 0.541 . . . . 75.23 110.446 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.5 mt -72.91 -52.82 13.17 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.494 -0.558 . . . . 74.4 109.494 170.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.28 -27.92 69.67 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.319 1.048 . . . . 71.11 112.975 -170.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.2 p -95.55 -36.39 11.29 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.833 0.853 . . . . 73.4 111.321 -177.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -107.08 -57.5 2.06 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.008 0.523 . . . . 75.43 111.819 -171.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.412 ' O ' HG21 ' A' ' 35' ' ' VAL . 48.7 mm -81.59 -62.63 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 119.286 -0.387 . . . . 74.2 111.223 -167.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 78.7 mtp180 -45.71 -53.58 19.44 Favored Pre-proline 0 C--N 1.364 1.213 0 CA-C-O 117.141 -1.409 . . . . 73.33 112.381 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 80.5 Cg_exo -51.19 -43.32 49.39 Favored 'Trans proline' 0 C--N 1.407 3.636 0 C-N-CA 122.757 2.305 . . . . 64.53 113.018 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -65.95 -42.42 89.99 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.31 1.044 . . . . 65.1 111.202 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.463 HG12 ' SG ' ' A' ' 60' ' ' CYS . 38.3 t -71.26 -32.5 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.69 0.796 . . . . 74.33 110.894 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -69.75 -34.49 73.89 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.459 0.704 . . . . 75.25 110.466 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -69.13 -35.71 76.7 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.547 0.739 . . . . 74.54 110.564 171.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -67.89 -23.55 65.13 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.02 0.928 . . . . 73.52 111.314 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.68 34.29 2.88 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 116.385 -0.37 . . . . 65.14 112.466 175.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.16 -142.14 3.41 Favored Glycine 0 C--N 1.339 0.714 0 N-CA-C 110.587 -1.005 . . . . 72.44 110.587 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -178.32 161.36 1.41 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.627 1.171 . . . . 75.52 108.95 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.406 HG22 ' HG2' ' A' ' 32' ' ' ARG . 27.8 m -126.79 119.97 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.178 -1.045 . . . . 72.14 108.178 175.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -106.1 129.81 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.048 -1.093 . . . . 74.12 108.048 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -69.77 116.31 10.01 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.262 0.351 . . . . 74.4 110.211 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 45' ' ' LYS . 71.7 mmtt -106.14 -20.44 13.41 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.473 0.709 . . . . 71.44 111.933 -178.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 163.66 -172.4 39.56 Favored Glycine 0 C--N 1.346 1.116 0 C-N-CA 120.732 -0.747 . . . . 45.33 114.332 171.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -148.16 108.35 4.09 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 106.753 -1.573 . . . . 73.31 106.753 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -124.17 104.41 8.83 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.374 -0.973 . . . . 74.42 108.374 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 53.63 59.15 4.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.255 1.022 . . . . 70.32 111.55 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.41 -16.59 33.88 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-N 115.033 -0.985 . . . . 74.51 114.696 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mm -95.01 110.9 24.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 117.026 0.413 . . . . 72.34 110.264 -173.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.436 HG21 HD11 ' A' ' 78' ' ' LEU . 38.7 t -81.01 104.27 9.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.78 -0.822 . . . . 73.14 108.78 178.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -85.98 119.81 26.69 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.151 0.58 . . . . 75.12 109.516 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -129.95 137.8 50.53 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.036 0.935 . . . . 63.53 111.066 -173.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.428 ' HE3' ' NE2' ' A' ' 57' ' ' GLN . 65.0 tttp -88.17 113.96 24.31 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.667 0.787 . . . . 72.04 109.223 173.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.4 mt -89.71 133.78 34.5 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.471 -0.937 . . . . 74.14 108.471 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.428 ' NE2' ' HE3' ' A' ' 55' ' ' LYS . 71.7 mm-40 -92.8 175.3 6.86 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.229 0.612 . . . . 74.02 109.966 178.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.49 162.01 5.43 Favored Glycine 0 C--N 1.357 1.71 0 C-N-CA 124.008 0.813 . . . . 72.42 113.752 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m 75.06 -61.0 0.5 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.584 1.554 . . . . 64.24 110.094 -170.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.463 ' SG ' HG12 ' A' ' 35' ' ' VAL . 33.0 m -63.96 -42.04 97.4 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.477 1.111 . . . . 70.41 111.701 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.6 t -87.45 -6.07 58.56 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.185 0.594 . . . . 72.34 111.649 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.8 m -88.27 -7.61 56.5 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.489 0.716 . . . . 75.31 112.561 -173.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.4 p -143.18 127.69 9.65 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.476 0.71 . . . . 62.43 109.329 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.09 -25.65 77.55 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.992 2.461 . . . . 75.44 112.966 -175.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -60.28 -48.89 79.8 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.29 0.636 . . . . 71.11 110.868 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.5 m -72.17 -34.23 68.31 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.106 -0.497 . . . . 75.01 111.372 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.15 -46.76 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.794 0.438 . . . . 70.23 110.879 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.9 mt -67.33 -52.48 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.784 0.834 . . . . 62.31 110.947 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.4 m -59.52 -46.21 89.5 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.169 0.588 . . . . 64.54 111.115 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.55 -56.44 15.96 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.709 0.804 . . . . 71.11 110.439 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -44.08 75.54 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.285 1.034 . . . . 74.02 111.363 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -67.99 -40.85 83.0 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.538 0.735 . . . . 64.32 111.374 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.08 96.27 Favored Glycine 0 CA--C 1.526 0.737 0 O-C-N 123.135 0.272 . . . . 74.21 112.527 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.71 -41.32 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.346 1.058 . . . . 73.5 109.923 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -62.19 -56.17 21.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.896 0.879 . . . . 65.31 110.744 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -64.81 -26.38 68.32 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.334 0.654 . . . . 75.31 111.901 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.1 ttp -69.1 -60.48 2.33 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.014 -0.365 . . . . 72.42 110.014 174.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.507 ' HB3' HG22 ' A' ' 85' ' ' VAL . 97.1 mt -60.56 -39.9 89.67 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 123.821 0.848 . . . . 72.21 111.571 -175.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 94.1 mt-30 -66.07 -34.18 77.49 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.348 0.659 . . . . 74.02 111.898 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.45 -33.85 75.64 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.674 0.79 . . . . 64.54 110.725 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -101.32 -26.49 13.6 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.546 0.739 . . . . 73.44 111.885 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.6 mt -136.77 99.35 10.35 Favored Pre-proline 0 N--CA 1.483 1.208 0 C-N-CA 124.429 1.092 . . . . 72.45 108.989 -167.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.45 -10.79 29.72 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.831 2.354 . . . . 65.25 113.205 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -65.9 -35.97 82.09 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.331 0.653 . . . . 75.01 110.909 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.507 HG22 ' HB3' ' A' ' 78' ' ' LEU . 98.3 t -68.54 117.23 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.103 0.561 . . . . 74.14 109.783 177.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -98.21 -27.53 14.12 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.514 1.126 . . . . 74.34 110.477 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.81 -179.14 43.35 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.994 -0.548 . . . . 72.25 112.53 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.435 HG23 ' HB ' ' A' ' 52' ' ' VAL . 75.8 t -131.53 138.57 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.508 1.123 . . . . 70.43 108.308 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -122.39 141.55 51.46 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.694 0.797 . . . . 64.21 109.843 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -85.44 112.76 21.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.687 0.795 . . . . 74.4 109.151 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.5 m -117.01 109.13 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 108.9 -0.778 . . . . 74.44 108.9 171.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 92.2 mtp -86.03 85.43 7.37 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.773 0.796 . . . . 75.55 108.86 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.421 ' HB3' ' HE3' ' A' ' 45' ' ' LYS . 17.3 t70 -73.01 87.37 1.35 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.553 -1.203 . . . . 73.13 110.533 -177.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -169.17 160.38 9.66 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.687 0.795 . . . . 61.53 110.678 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -76.67 -14.74 59.94 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 114.471 -1.241 . . . . 73.43 111.734 -176.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.4 m 66.04 17.99 10.92 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.665 1.186 . . . . 72.35 113.757 171.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.809 -0.615 . . . . 74.15 109.847 177.231 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.463 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.327 -0.619 . . . . 74.41 109.327 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.07 -144.33 46.21 Favored Glycine 0 C--N 1.355 1.605 0 O-C-N 123.755 0.66 . . . . 55.12 113.019 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -124.44 105.82 9.72 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.165 0.986 . . . . 72.22 108.864 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -109.8 97.64 7.13 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 122.168 0.985 . . . . 74.35 111.112 -177.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -77.72 -0.79 28.2 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-N 114.377 -1.283 . . . . 74.03 109.805 166.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -101.7 119.79 39.33 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.311 1.045 . . . . 74.05 109.394 169.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.8 m80 53.07 67.61 0.97 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.225 1.41 . . . . 74.54 113.293 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -75.12 -49.08 20.74 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 107.819 -1.178 . . . . 75.32 107.819 166.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 m -69.33 148.63 49.43 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.45 -1.25 . . . . 73.41 110.601 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -132.87 91.61 2.92 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.887 0.875 . . . . 63.23 110.032 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -141.84 119.91 12.09 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 108.324 -0.991 . . . . 72.42 108.324 172.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.69 48.35 73.46 Favored Glycine 0 C--N 1.35 1.311 0 N-CA-C 110.235 -1.146 . . . . 63.52 110.235 -168.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.636 ' H ' ' HG2' ' A' ' 48' ' ' GLU . 50.0 m -70.2 85.18 0.55 Allowed 'General case' 0 C--O 1.24 0.597 0 C-N-CA 124.327 1.051 . . . . 74.35 111.964 -170.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.678 ' HG2' ' HB3' ' A' ' 47' ' ' PHE . 36.8 mt-10 -118.17 97.6 5.88 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.117 1.367 . . . . 74.33 107.433 178.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -37.48 23.73 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 120.959 0.409 . . . . 63.11 110.489 -178.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -115.62 114.21 24.6 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.838 0.855 . . . . 72.3 110.213 -169.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.47 -31.06 71.56 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.183 0.993 . . . . 72.32 111.924 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.65 97.23 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 123.654 0.596 . . . . 61.41 113.197 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.05 -48.99 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.658 0.783 . . . . 75.11 109.944 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.439 HG11 ' HE3' ' A' ' 24' ' ' LYS . 89.8 t -55.15 -44.3 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.465 1.106 . . . . 73.11 111.239 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.09 85.57 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.257 1.023 . . . . 74.54 111.604 -175.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.6 ptm -78.58 -22.38 47.2 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.624 -0.262 . . . . 72.32 111.333 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.09 -51.14 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 108.2 -1.037 . . . . 73.4 108.2 168.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.439 ' HE3' HG11 ' A' ' 20' ' ' VAL . 97.8 mttt -53.1 -41.83 65.33 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.372 1.045 . . . . 75.21 111.6 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.52 -42.16 59.38 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 118.795 -0.621 . . . . 64.13 110.399 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.89 -35.02 77.11 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 118.495 0.589 . . . . 62.04 110.866 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.0 mt -66.63 -54.92 18.11 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.537 -0.756 . . . . 70.31 109.986 172.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.49 -31.23 71.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.645 0.778 . . . . 53.15 112.474 -168.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.5 p -91.09 -35.02 14.84 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.532 0.733 . . . . 73.44 111.946 -175.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -105.41 -59.47 1.76 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.803 0.441 . . . . 75.35 111.195 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.9 mm -73.57 -61.2 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 115.504 -0.771 . . . . 72.25 110.324 -164.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -48.13 -50.64 54.21 Favored Pre-proline 0 CA--C 1.559 1.295 0 CA-C-O 116.94 -1.505 . . . . 75.42 112.278 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.45 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 81.1 Cg_exo -49.67 -54.54 5.29 Favored 'Trans proline' 0 C--N 1.411 3.858 0 C-N-CA 122.896 2.397 . . . . 75.0 113.166 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.6 m -60.21 -44.92 94.76 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.236 1.014 . . . . 64.21 111.735 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.581 HG13 ' SG ' ' A' ' 60' ' ' CYS . 64.0 t -68.8 -34.43 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 C-N-CA 124.461 1.104 . . . . 75.13 110.525 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.17 -26.86 59.4 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.341 0.656 . . . . 75.03 111.482 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 15.3 mm-40 -65.56 -34.52 78.43 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.796 0.438 . . . . 74.45 109.858 172.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -80.04 -24.04 40.99 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.408 -0.814 . . . . 74.01 110.445 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.75 -21.15 7.6 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.442 -0.345 . . . . 73.24 113.243 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.58 -162.11 30.99 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 122.832 0.253 . . . . 72.41 113.326 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -169.84 156.43 6.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.23 1.012 . . . . 75.23 108.705 176.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.0 m -121.8 121.54 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 N-CA-C 108.402 -0.962 . . . . 61.31 108.402 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.542 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.8 mp -107.6 117.4 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 107.926 -1.138 . . . . 72.1 107.926 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -67.6 112.39 4.71 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 109.539 -0.541 . . . . 72.41 109.539 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.553 ' HD3' ' HB3' ' A' ' 93' ' ' ASP . 10.5 mmpt? -95.12 -49.97 5.28 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.871 0.868 . . . . 73.11 111.185 -176.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.5 -174.08 36.91 Favored Glycine 0 C--N 1.345 1.051 0 C-N-CA 121.246 -0.502 . . . . 54.23 113.458 -174.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.678 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . 84.9 t80 -158.14 123.28 4.38 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 107.458 -1.312 . . . . 73.11 107.458 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.636 ' HG2' ' H ' ' A' ' 13' ' ' SER . 41.3 mt-10 -126.49 111.56 14.55 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.442 -0.577 . . . . 72.35 109.442 174.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 70.85 -72.59 0.11 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.028 1.331 . . . . 73.34 110.365 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.516 ' HA3' ' HG2' ' A' ' 86' ' ' GLU . . . -147.61 3.57 0.86 Allowed Glycine 0 C--N 1.343 0.951 0 CA-C-N 115.972 -0.558 . . . . 63.13 113.271 174.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.9 mm -91.13 106.46 17.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 N-CA-C 109.335 -0.617 . . . . 74.41 109.335 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.563 ' HB ' HG23 ' A' ' 88' ' ' VAL . 47.6 t -79.09 105.5 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 124.344 1.058 . . . . 72.1 108.651 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.431 ' HB3' HG23 ' A' ' 91' ' ' VAL . 79.3 mt-30 -83.38 116.82 22.65 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.156 0.582 . . . . 74.21 109.735 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.6 mt -124.3 133.99 53.32 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.462 1.105 . . . . 73.33 110.225 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.542 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 64.8 tttp -88.29 109.36 19.9 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.05 -1.092 . . . . 75.24 108.05 171.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.527 HD12 HD22 ' A' ' 70' ' ' LEU . 46.5 mt -88.07 145.22 26.07 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.049 -1.093 . . . . 73.33 108.049 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -99.64 175.68 5.73 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.254 0.622 . . . . 71.41 109.705 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.11 -174.53 4.45 Favored Glycine 0 C--N 1.353 1.491 0 O-C-N 123.684 0.615 . . . . 64.01 113.709 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.6 m 73.51 -60.43 0.53 Allowed 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.504 1.521 . . . . 75.22 111.098 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.581 ' SG ' HG13 ' A' ' 35' ' ' VAL . 57.7 m -75.99 -6.5 51.25 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.205 1.002 . . . . 72.41 112.065 176.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.9 p -125.13 37.82 4.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.922 0.889 . . . . 73.1 110.333 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.3 m -61.88 -32.35 72.71 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.087 0.555 . . . . 72.05 112.379 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 77.4 m -137.94 157.32 73.38 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.016 0.926 . . . . 71.33 109.717 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -49.8 -38.34 46.91 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 123.137 2.558 . . . . 75.04 113.351 171.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t -71.74 -30.86 66.06 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.32 0.648 . . . . 64.03 111.491 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.5 m -63.69 -41.75 98.1 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.663 0.385 . . . . 63.44 110.027 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.45 -51.24 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.217 1.007 . . . . 72.1 110.857 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.59 -46.16 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.997 0.919 . . . . 55.54 110.976 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.5 m -64.83 -45.63 85.33 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.224 0.61 . . . . 71.12 111.033 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.527 HD22 HD12 ' A' ' 56' ' ' LEU . 56.3 tp -62.46 -51.84 65.87 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.441 0.463 . . . . 73.42 110.533 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.4 -44.68 76.4 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.602 1.561 . . . . 65.1 111.266 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -70.4 -39.29 74.58 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.631 0.772 . . . . 70.02 111.45 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.86 -47.93 85.02 Favored Glycine 0 C--N 1.342 0.899 0 N-CA-C 112.033 -0.427 . . . . 74.33 112.033 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.5 mt -60.57 -44.89 97.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 123.92 0.888 . . . . 75.23 109.838 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -58.11 -57.52 12.5 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.585 1.154 . . . . 74.14 111.828 -175.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.54 -28.42 66.0 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 123.762 0.664 . . . . 72.13 111.655 -176.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 32.7 ttp -65.21 -49.6 69.11 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 109.969 -0.382 . . . . 74.51 109.969 173.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.531 ' HB3' HG22 ' A' ' 85' ' ' VAL . 94.7 mt -63.33 -35.11 79.28 Favored 'General case' 0 C--O 1.211 -0.948 0 C-N-CA 123.541 0.736 . . . . 74.11 110.661 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -72.82 -27.98 62.29 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.251 0.62 . . . . 72.42 111.989 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -70.79 -44.74 65.99 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.437 0.695 . . . . 73.34 110.487 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -89.14 -36.52 15.65 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.089 0.556 . . . . 75.33 111.579 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.4 mt -118.84 107.06 42.84 Favored Pre-proline 0 N--CA 1.482 1.158 0 C-N-CA 124.145 0.978 . . . . 74.53 109.197 -174.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -70.37 -6.3 18.58 Favored 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.954 2.436 . . . . 74.34 113.219 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.43 -20.14 57.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.444 0.697 . . . . 71.45 111.501 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.531 HG22 ' HB3' ' A' ' 78' ' ' LEU . 58.6 t -82.62 122.12 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.401 0.68 . . . . 73.45 110.727 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.516 ' HG2' ' HA3' ' A' ' 50' ' ' GLY . 29.5 mm-40 -91.37 -37.78 13.02 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.691 1.196 . . . . 74.11 110.52 172.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.25 -179.86 39.9 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 115.465 -0.789 . . . . 51.14 112.791 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.563 HG23 ' HB ' ' A' ' 52' ' ' VAL . 46.2 t -130.17 132.3 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.847 1.259 . . . . 72.11 108.006 172.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -112.4 138.99 48.35 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.382 -0.599 . . . . 73.12 109.382 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -86.48 116.17 24.45 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.365 -0.976 . . . . 74.33 108.365 170.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.431 HG23 ' HB3' ' A' ' 53' ' ' GLN . 2.5 m -124.58 115.97 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.962 0.905 . . . . 72.31 109.186 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 21.2 ptm -84.8 82.6 8.36 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 122.58 1.181 . . . . 74.31 108.473 170.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.553 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 15.2 t70 -108.11 93.37 4.49 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 106.601 -1.629 . . . . 75.14 106.601 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -105.14 157.0 17.56 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.913 -1.04 . . . . 74.13 109.618 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.14 15.51 1.17 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.111 1.364 . . . . 73.32 110.25 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t -130.86 31.21 4.52 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.604 1.162 . . . . 72.43 109.598 -171.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.487 1.403 0 C-N-CA 124.332 1.053 . . . . 62.32 111.313 -179.703 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 111.681 0.252 . . . . 74.43 111.681 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.72 15.47 30.98 Favored Glycine 0 C--N 1.35 1.338 0 CA-C-O 119.133 -0.815 . . . . 54.44 115.02 -171.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -158.51 111.49 2.34 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 117.65 0.725 . . . . 73.22 110.354 176.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -131.12 57.63 1.75 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.904 1.282 . . . . 64.12 108.669 173.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -68.42 101.41 1.23 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.665 0.786 . . . . 73.42 109.93 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -153.21 38.92 0.5 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.188 0.595 . . . . 73.13 110.685 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 67.5 t60 70.9 78.32 0.18 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.251 1.02 . . . . 64.32 110.306 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -78.95 -41.09 30.16 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.503 0.721 . . . . 72.55 111.084 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.6 m -80.94 94.53 6.53 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.735 -0.839 . . . . 75.22 108.735 173.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -76.24 73.69 3.05 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.231 0.612 . . . . 73.14 109.914 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.4 tpt -101.24 124.0 46.24 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 124.504 1.122 . . . . 75.04 109.818 -176.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.03 80.47 0.53 Allowed Glycine 0 C--N 1.346 1.128 0 O-C-N 123.745 0.653 . . . . 73.24 113.013 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.6 t -69.76 111.93 5.86 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 109.104 -0.702 . . . . 64.03 109.104 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -175.44 2.51 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.663 0.785 . . . . 74.13 112.269 -174.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -155.67 30.73 0.37 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.48 1.112 . . . . 72.45 109.385 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.06 134.6 56.57 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.324 1.05 . . . . 75.24 111.854 -170.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -68.89 -24.15 64.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.884 0.873 . . . . 74.41 111.227 -177.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.79 -44.7 88.63 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 111.994 -0.442 . . . . 71.11 111.994 173.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.84 -51.88 68.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 123.65 0.78 . . . . 74.13 110.212 174.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.29 -46.59 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.638 1.175 . . . . 71.52 111.592 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.86 -47.43 86.42 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.94 0.896 . . . . 74.42 112.183 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.5 ptm -74.71 -23.8 58.65 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 119.084 -0.484 . . . . 75.41 111.445 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.69 -47.34 86.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.003 0 N-CA-C 108.573 -0.899 . . . . 75.33 108.573 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -56.23 -37.24 69.45 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.803 0.689 . . . . 73.34 111.188 176.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.09 -50.7 45.92 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.504 0.722 . . . . 71.54 110.671 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.47 -31.1 71.78 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.684 0.794 . . . . 75.31 111.147 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.93 -53.2 13.85 Favored 'General case' 0 C--O 1.214 -0.775 0 N-CA-C 109.181 -0.674 . . . . 75.11 109.181 173.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 23.0 t70 -60.26 -48.46 81.65 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.441 0.696 . . . . 74.01 112.512 -170.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.7 p -81.56 -36.23 29.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.485 0.714 . . . . 62.33 112.395 -172.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' NH1' ' HG3' ' A' ' 77' ' ' MET . 7.8 mtp-105 -103.03 -52.71 2.99 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.658 0.383 . . . . 75.43 111.735 -169.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.0 mm -85.59 -57.27 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.411 0.685 . . . . 74.23 111.292 -168.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 52.9 mtp180 -45.32 -55.89 10.71 Favored Pre-proline 0 N--CA 1.483 1.212 0 CA-C-O 117.103 -1.427 . . . . 74.25 112.988 -176.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -60.59 -35.72 88.67 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 122.051 1.834 . . . . 74.44 111.898 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.3 m -65.12 -44.96 87.02 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.182 0.993 . . . . 71.12 111.033 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.1 t -71.79 -26.93 26.52 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 123.958 0.903 . . . . 73.43 110.71 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -79.19 -25.47 42.74 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.297 0.639 . . . . 65.15 110.928 176.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -75.02 -25.89 59.11 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.964 0.506 . . . . 71.22 110.114 168.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -79.31 -21.34 46.08 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.377 172.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.4 -32.13 3.45 Favored Glycine 0 C--N 1.347 1.186 0 CA-C-O 120.053 -0.304 . . . . 75.35 113.52 170.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' HA3' ' SG ' ' A' ' 60' ' ' CYS . . . -102.52 -137.74 9.72 Favored Glycine 0 C--N 1.344 1.027 0 CA-C-O 119.448 -0.64 . . . . 75.51 112.668 -176.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -173.32 164.84 4.74 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.541 0.736 . . . . 71.21 109.772 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.84 111.97 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 124.228 1.011 . . . . 73.32 108.978 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 2.0 mp -99.24 119.79 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.142 -1.059 . . . . 62.2 108.142 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -74.06 107.16 6.1 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.103 -0.703 . . . . 74.13 109.103 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -89.25 -42.27 11.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.488 -0.778 . . . . 73.15 110.559 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.52 -175.91 43.33 Favored Glycine 0 C--N 1.347 1.174 0 C-N-CA 120.668 -0.777 . . . . 72.2 114.464 -177.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -155.99 108.07 2.58 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.338 1.455 . . . . 75.21 107.111 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -143.28 134.82 26.32 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 107.579 -1.267 . . . . 74.34 107.579 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 62.75 29.01 16.73 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.275 1.03 . . . . 73.13 110.534 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.67 -1.14 68.19 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 115.321 -0.854 . . . . 73.52 113.69 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.8 mm -95.94 108.66 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 123.838 0.855 . . . . 74.02 109.096 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.554 HG21 HD13 ' A' ' 78' ' ' LEU . 41.9 t -79.14 102.69 5.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 108.455 -0.943 . . . . 74.33 108.455 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -86.07 110.78 19.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 109.621 -0.511 . . . . 74.43 109.621 -174.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -119.1 134.29 55.29 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 124.386 1.075 . . . . 73.44 110.319 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.486 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 84.5 tttt -88.29 123.72 33.18 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 123.966 0.906 . . . . 75.32 109.019 172.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.416 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 38.6 mt -95.56 139.29 32.04 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.012 -0.736 . . . . 74.42 109.012 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -95.6 172.47 8.04 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.328 0.651 . . . . 73.43 111.199 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.17 154.33 15.33 Favored Glycine 0 C--N 1.359 1.848 0 O-C-N 124.137 0.898 . . . . 63.52 113.703 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.8 m 77.26 -30.97 0.17 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.838 1.655 . . . . 73.21 112.34 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.4 ' SG ' ' HA3' ' A' ' 40' ' ' GLY . 57.5 m -91.13 -37.93 13.07 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.653 0.781 . . . . 72.25 110.375 174.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.4 t -93.86 0.03 55.99 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.61 -0.723 . . . . 75.35 112.087 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.6 m -63.97 -44.09 93.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.831 0.452 . . . . 74.13 111.059 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 33.5 m -101.76 118.74 58.91 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.532 0.733 . . . . 73.05 109.806 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -51.22 -33.27 43.96 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 123.022 2.481 . . . . 71.14 113.176 170.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 m -56.54 -47.01 80.32 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.869 0.868 . . . . 74.02 110.796 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.4 t -68.0 -36.64 80.32 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 114.934 -1.03 . . . . 64.21 110.923 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.0 -46.96 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 123.937 0.773 . . . . 72.42 110.569 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.05 -50.75 79.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.786 0.834 . . . . 75.33 110.497 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.6 m -64.92 -40.62 95.33 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.571 0.749 . . . . 53.23 111.565 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.17 -52.24 50.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.184 0.594 . . . . 71.04 109.967 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.95 -42.77 85.66 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.467 1.107 . . . . 73.32 111.455 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -68.11 -41.94 81.04 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.246 0.618 . . . . 64.02 111.138 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.43 -43.53 99.21 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 112.091 -0.404 . . . . 63.14 112.091 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.31 -35.92 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.794 0.838 . . . . 74.42 110.176 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.453 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 58.1 tt0 -61.84 -58.43 8.0 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 122.96 0.504 . . . . 75.13 110.283 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -59.56 -31.27 69.28 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.631 0.773 . . . . 71.45 111.786 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.428 ' HG3' ' NH1' ' A' ' 30' ' ' ARG . 19.0 tmm? -66.8 -54.64 20.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.173 0.589 . . . . 75.43 110.673 175.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.554 HD13 HG21 ' A' ' 52' ' ' VAL . 76.6 mt -68.32 -27.59 66.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.54 0.736 . . . . 75.2 111.791 -177.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -79.84 -21.94 43.57 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.738 0.815 . . . . 75.44 111.259 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -69.88 -48.13 59.9 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.21 0.604 . . . . 74.41 109.823 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.79 -34.37 22.78 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.689 -0.687 . . . . 62.22 111.784 -176.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.7 mt -131.92 118.3 16.44 Favored Pre-proline 0 N--CA 1.485 1.288 0 C-N-CA 124.01 0.924 . . . . 72.42 109.976 -170.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -78.33 -10.13 16.23 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 122.635 2.223 . . . . 64.3 113.37 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.3 -30.6 64.95 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.2 0.6 . . . . 72.11 111.344 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.502 HG23 ' HB3' ' A' ' 78' ' ' LEU . 86.6 t -67.47 103.2 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.826 0.85 . . . . 75.33 110.643 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -70.47 -32.85 70.56 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.929 0.892 . . . . 73.13 111.175 172.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.453 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 179.8 -173.02 44.74 Favored Glycine 0 CA--C 1.504 -0.65 0 CA-C-N 116.067 -0.515 . . . . 75.01 112.545 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.471 HG21 ' HB ' ' A' ' 52' ' ' VAL . 74.5 t -127.6 144.29 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.036 1.334 . . . . 64.4 107.424 175.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -130.18 141.25 50.68 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.995 -0.743 . . . . 75.25 108.995 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.416 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 47.3 tt0 -83.85 115.49 22.28 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.722 -1.214 . . . . 74.32 107.722 169.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.71 110.23 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 108.413 -0.958 . . . . 74.11 108.413 168.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 71.4 mtm -79.37 128.45 33.36 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.809 -0.811 . . . . 75.53 108.809 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -136.93 102.48 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.735 0.814 . . . . 62.03 109.042 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -71.57 162.56 29.25 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.67 -0.695 . . . . 74.1 111.083 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -105.38 -70.31 0.78 Allowed 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.088 0.47 . . . . 64.23 109.801 -169.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.4 m -115.28 20.89 14.57 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.208 1.003 . . . . 72.35 110.66 -172.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.246 0.905 0 C-N-CA 123.854 0.861 . . . . 73.21 109.711 -172.413 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.504 ' HB2' ' HB2' ' A' ' 7' ' ' HIS . 1.4 mpt? . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.559 -0.534 . . . . 74.34 109.559 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.67 -44.29 0.95 Allowed Glycine 0 C--N 1.346 1.109 0 O-C-N 123.302 0.376 . . . . 72.03 113.184 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -77.58 -34.09 53.74 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.125 0.57 . . . . 74.55 111.183 -170.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -133.21 -64.96 0.71 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.17 0.588 . . . . 75.53 109.624 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -65.53 122.59 17.55 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.019 -0.734 . . . . 75.01 109.019 174.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -75.24 145.22 42.12 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.816 0.697 . . . . 65.42 111.925 -169.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.504 ' HB2' ' HB2' ' A' ' 1' ' ' MET . 17.6 t-80 -137.72 77.49 1.64 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.464 -1.244 . . . . 74.23 107.674 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -75.42 -35.84 60.92 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.136 -0.938 . . . . 73.23 110.335 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -89.72 173.23 8.4 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.738 -0.665 . . . . 73.42 109.697 175.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -144.33 24.44 1.59 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.524 -0.917 . . . . 74.33 108.524 173.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.562 ' HG2' ' H ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -60.54 -35.28 75.63 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.745 1.218 . . . . 74.12 112.819 -169.451 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.16 20.88 69.56 Favored Glycine 0 C--N 1.348 1.237 0 O-C-N 123.496 0.497 . . . . 72.43 113.465 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.562 ' H ' ' HG2' ' A' ' 11' ' ' MET . 45.9 m -82.08 73.85 9.09 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 123.972 0.909 . . . . 75.5 110.536 -175.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.76 150.6 30.74 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.292 -0.867 . . . . 63.45 110.68 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 68.98 11.0 8.22 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.232 1.413 . . . . 72.35 111.855 -176.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -105.35 -12.29 16.1 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.518 1.127 . . . . 63.33 109.549 166.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.583 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 36.9 t70 -72.07 -14.01 61.74 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.623 0.769 . . . . 75.25 111.403 -175.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.45 -42.52 89.1 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 111.346 -0.702 . . . . 72.11 111.346 170.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 23' ' ' ILE . 89.4 t -64.92 -50.97 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.352 0.661 . . . . 72.54 109.697 172.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.583 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 54.8 t -54.38 -41.51 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.706 1.202 . . . . 71.02 111.561 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.87 -44.54 76.84 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.746 0.818 . . . . 71.22 111.436 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.78 -22.92 59.67 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.424 -0.353 . . . . 73.22 111.25 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 19' ' ' VAL . 73.4 mt -68.69 -50.02 59.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 108.421 -0.955 . . . . 74.45 108.421 170.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.04 -40.21 66.88 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.638 0.775 . . . . 71.12 111.22 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.07 -51.49 53.87 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 124.063 0.852 . . . . 70.24 110.573 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.68 -35.42 77.94 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 123.864 0.727 . . . . 71.54 111.053 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.49 -53.97 16.52 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 109.87 -0.418 . . . . 71.22 109.87 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.4 -38.82 91.13 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.872 0.869 . . . . 72.53 112.386 -168.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.1 p -86.29 -36.55 19.26 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.977 -0.556 . . . . 73.2 112.208 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -103.36 -58.02 1.94 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.205 0.602 . . . . 75.42 111.446 -170.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.407 HD11 ' SD ' ' A' ' 77' ' ' MET . 50.9 mm -83.78 -48.04 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 116.204 -0.453 . . . . 73.54 111.171 -166.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -53.07 -53.05 59.79 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-O 117.43 -1.271 . . . . 73.32 111.875 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.488 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 50.0 Cg_exo -55.18 -41.93 73.77 Favored 'Trans proline' 0 C--N 1.404 3.471 0 C-N-CA 122.346 2.03 . . . . 71.22 112.325 178.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.6 m -59.68 -50.76 72.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.811 0.845 . . . . 75.34 111.36 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.499 HG12 ' SG ' ' A' ' 60' ' ' CYS . 38.3 t -71.74 -26.25 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 123.154 0.582 . . . . 62.54 111.052 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -72.88 -30.89 64.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.784 0.434 . . . . 74.24 110.543 173.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 22.6 mm-40 -74.0 -27.08 60.79 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.004 0.522 . . . . 75.53 110.352 172.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.81 -21.4 57.37 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.809 0.844 . . . . 71.12 110.041 170.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.56 -16.43 24.03 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 116.148 -0.478 . . . . 72.14 113.393 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.79 -145.81 19.83 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 112.302 -0.319 . . . . 71.43 112.302 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -171.71 158.85 5.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.247 1.019 . . . . 72.23 109.339 173.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.9 m -115.94 115.68 49.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 N-CA-C 108.194 -1.039 . . . . 74.22 108.194 174.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.415 ' N ' HD13 ' A' ' 43' ' ' ILE . 3.1 mp -107.99 119.98 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 107.847 -1.168 . . . . 73.33 107.847 -175.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -69.5 113.79 7.13 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 109.639 -0.504 . . . . 73.32 109.639 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -102.34 -29.25 11.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.063 0.945 . . . . 74.25 111.782 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.98 -171.31 42.89 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 120.759 -0.734 . . . . 71.23 114.391 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -150.29 110.7 4.21 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 106.633 -1.617 . . . . 75.35 106.633 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -131.17 131.94 44.4 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.329 -0.989 . . . . 72.5 108.329 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 77.08 -33.41 0.2 Allowed 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 125.413 1.485 . . . . 75.03 113.213 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.84 -5.74 3.12 Favored Glycine 0 N--CA 1.472 1.034 0 N-CA-C 110.781 -0.928 . . . . 71.14 110.781 -166.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.82 124.4 50.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 C-N-CA 124.031 0.932 . . . . 75.0 109.406 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.568 ' HB ' HG21 ' A' ' 88' ' ' VAL . 44.8 t -84.99 113.82 24.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 108.493 -0.928 . . . . 75.34 108.493 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -91.01 115.7 28.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.305 0.642 . . . . 72.43 109.738 -176.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.9 mt -128.22 137.13 51.9 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.476 1.11 . . . . 75.33 110.202 -175.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.37 130.74 34.53 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.886 -0.783 . . . . 70.23 108.886 172.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.7 mt -103.25 143.46 32.61 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 108.307 -0.997 . . . . 70.4 108.307 173.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -95.11 175.34 6.66 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.163 0.585 . . . . 75.43 110.566 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.44 65.82 3.93 Favored Glycine 0 C--N 1.352 1.45 0 N-CA-C 115.028 0.771 . . . . 74.25 115.028 -169.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.9 m -148.7 -51.98 0.17 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.383 -1.34 . . . . 74.11 107.383 171.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.565 ' SG ' HD21 ' A' ' 70' ' ' LEU . 55.8 m -69.48 -40.27 77.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.518 0.727 . . . . 62.52 109.916 170.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.537 ' HA ' HG12 ' A' ' 67' ' ' ILE . 13.2 m -74.09 -16.58 61.02 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.402 -1.272 . . . . 74.33 111.784 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.3 m -72.41 -9.99 59.22 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.634 0.774 . . . . 73.31 112.955 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.8 m -136.65 118.94 11.63 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 123.532 0.733 . . . . 71.32 109.574 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.33 -44.64 45.14 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 124.032 3.155 . . . . 64.41 115.047 -172.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.3 t -73.21 -35.38 66.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.373 0.269 . . . . 65.13 110.903 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.0 m -64.14 -30.9 71.94 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.138 0.575 . . . . 71.32 111.826 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.537 HG12 ' HA ' ' A' ' 61' ' ' THR . 70.6 mt -58.44 -55.35 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.89 0.876 . . . . 75.32 110.227 171.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.87 -42.8 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 114.633 -1.167 . . . . 72.34 110.389 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.7 m -67.16 -43.37 82.41 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 123.829 0.706 . . . . 74.33 111.128 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.565 HD21 ' SG ' ' A' ' 60' ' ' CYS . 58.8 tp -65.05 -49.26 70.82 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.344 0.402 . . . . 63.55 109.967 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -55.57 -43.37 75.86 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 124.25 0.969 . . . . 74.32 110.758 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -73.46 -34.56 65.45 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.587 0.755 . . . . 72.01 111.899 -178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.81 91.8 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 112.162 -0.375 . . . . 62.44 112.162 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.19 -41.61 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.22 1.008 . . . . 75.31 109.778 174.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -59.46 -47.73 84.38 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 124.314 1.046 . . . . 71.33 110.206 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -64.68 -37.5 87.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.522 0.729 . . . . 73.41 111.161 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.407 ' SD ' HD11 ' A' ' 31' ' ' ILE . 41.0 ttp -65.7 -53.91 34.54 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.958 0.408 . . . . 60.45 110.548 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.528 ' HB3' HG21 ' A' ' 85' ' ' VAL . 93.0 mt -65.69 -30.53 71.23 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.241 -0.89 . . . . 72.34 111.765 -177.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -74.59 -35.18 63.0 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.905 0.482 . . . . 72.44 110.812 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -61.43 -45.44 94.32 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.468 0.707 . . . . 71.53 110.306 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.28 -58.94 2.48 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.804 -0.634 . . . . 75.13 110.711 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.7 mt -97.44 122.03 56.75 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.035 0.934 . . . . 75.35 110.333 -172.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -75.54 -20.53 15.74 Favored 'Trans proline' 0 C--N 1.37 1.663 0 C-N-CA 122.572 2.181 . . . . 73.12 112.672 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.16 -25.24 63.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.451 0.701 . . . . 74.14 112.306 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.528 HG21 ' HB3' ' A' ' 78' ' ' LEU . 91.4 t -72.9 96.8 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 109.516 -0.55 . . . . 64.45 109.516 175.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -69.98 -33.96 72.75 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.744 -0.662 . . . . 75.22 110.092 170.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.3 -173.79 39.21 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.68 -0.691 . . . . 74.41 113.444 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.568 HG21 ' HB ' ' A' ' 52' ' ' VAL . 78.5 t -132.47 149.27 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.982 1.313 . . . . 74.51 108.352 175.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -136.74 150.53 48.46 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.426 0.69 . . . . 71.53 110.311 177.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -88.07 118.19 27.47 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.175 0.99 . . . . 75.35 109.923 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.43 108.39 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.667 0.787 . . . . 64.25 109.265 176.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 79.5 mtp -106.88 88.58 2.78 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.616 0.767 . . . . 72.1 111.021 -172.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -96.6 126.42 41.76 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.096 -1.075 . . . . 72.52 108.096 169.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -155.24 -66.41 0.12 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.446 -0.946 . . . . 74.45 108.446 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -77.11 -33.03 56.92 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 109.025 -0.731 . . . . 73.1 109.025 167.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.3 m 60.09 31.47 20.59 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 124.308 1.005 . . . . 71.3 110.836 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 C--O 1.249 1.074 0 C-N-CA 123.983 0.913 . . . . 72.22 109.68 -167.289 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 ttm . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 119.771 -0.157 . . . . 75.33 111.057 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.8 77.75 0.39 Allowed Glycine 0 C--N 1.358 1.754 0 N-CA-C 112.23 -0.348 . . . . 73.11 112.23 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -147.24 170.89 16.3 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.189 0.996 . . . . 73.12 108.55 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -138.96 -166.8 2.09 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.385 -0.968 . . . . 74.2 108.385 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -144.94 124.73 13.37 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 107.793 -1.188 . . . . 75.13 107.793 168.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -137.77 133.45 34.08 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.195 0.521 . . . . 74.3 110.887 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -111.92 140.24 46.75 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 106.857 -1.534 . . . . 74.4 106.857 169.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -63.95 -17.38 63.21 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.006 0.522 . . . . 75.05 111.888 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -57.78 89.56 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.398 1.079 . . . . 52.43 111.937 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -82.36 83.22 7.54 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 107.1 -1.445 . . . . 74.41 107.1 172.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.444 ' HE3' HG22 ' A' ' 19' ' ' VAL . 13.5 tpt 60.18 78.0 0.3 Allowed 'General case' 0 CA--C 1.549 0.911 0 O-C-N 124.295 0.997 . . . . 64.44 109.456 -166.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.48 58.51 0.34 Allowed Glycine 0 C--N 1.34 0.795 0 CA-C-N 114.813 -1.085 . . . . 61.21 111.158 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.63 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 36.1 m -132.28 126.6 33.76 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.175 0.99 . . . . 65.31 108.936 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.36 -26.01 66.27 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.172 0.589 . . . . 71.1 111.263 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -129.94 81.3 2.0 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.395 1.078 . . . . 74.44 109.277 175.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.63 ' HB3' ' HB2' ' A' ' 13' ' ' SER . 7.5 p-10 -113.27 159.65 19.13 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.687 0.795 . . . . 71.02 110.069 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -83.46 -10.92 58.07 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.733 -0.667 . . . . 73.24 111.516 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.15 -48.68 24.61 Favored Glycine 0 C--N 1.353 1.482 0 O-C-N 123.065 0.228 . . . . 74.23 112.778 -176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.444 HG22 ' HE3' ' A' ' 11' ' ' MET . 96.1 t -62.03 -45.92 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.418 0.687 . . . . 74.03 109.505 175.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 68.8 t -56.86 -44.09 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 124.08 0.952 . . . . 73.42 111.142 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.22 78.46 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.712 0.805 . . . . 73.04 111.63 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.1 ptm -74.86 -27.41 60.25 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-O 119.228 -0.415 . . . . 74.54 110.881 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.1 -48.85 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 108.628 -0.878 . . . . 70.21 108.628 171.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 97.3 mttt -56.45 -41.89 77.23 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.862 0.726 . . . . 72.3 111.938 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.0 -43.78 64.52 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 109.468 -0.567 . . . . 75.32 109.468 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.59 -30.14 70.49 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.481 0.713 . . . . 74.21 110.778 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.96 -57.12 4.27 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 122.936 0.494 . . . . 74.05 109.767 172.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.32 -32.66 74.35 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.846 0.858 . . . . 64.41 112.821 -168.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 80.4 p -91.45 -28.58 17.54 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.661 0.785 . . . . 73.03 111.685 -174.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -116.17 -58.37 2.11 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.934 0.493 . . . . 75.14 111.518 -170.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.424 ' O ' HG22 ' A' ' 35' ' ' VAL . 45.4 mm -77.22 -58.42 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.315 0.646 . . . . 75.41 111.434 -170.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -48.31 -48.48 65.74 Favored Pre-proline 0 N--CA 1.482 1.173 0 CA-C-O 117.425 -1.274 . . . . 72.43 112.749 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.489 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 80.9 Cg_exo -48.51 -51.91 9.43 Favored 'Trans proline' 0 C--N 1.399 3.189 0 C-N-CA 122.376 2.051 . . . . 71.34 112.58 173.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.7 m -59.92 -44.82 94.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.148 0.979 . . . . 74.43 112.35 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 31' ' ' ILE . 4.2 t -71.06 -31.64 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 122.752 0.421 . . . . 74.41 110.574 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -73.88 -27.47 61.08 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.177 0.591 . . . . 75.24 111.194 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 19.7 mm-40 -70.81 -37.69 73.25 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 108.91 -0.774 . . . . 74.54 108.91 171.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.57 -21.98 62.63 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.273 1.029 . . . . 73.2 111.469 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.88 -18.08 9.9 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 119.902 -0.388 . . . . 73.24 113.587 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.0 -145.05 14.79 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 116.982 0.391 . . . . 64.41 112.787 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -172.17 165.08 6.08 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.243 1.017 . . . . 75.54 109.579 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.403 HG12 HG21 ' A' ' 35' ' ' VAL . 27.7 m -125.71 125.15 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.917 0.887 . . . . 74.21 109.018 175.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.547 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -110.17 125.81 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.71 -0.848 . . . . 64.12 108.71 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -65.64 113.74 4.45 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 122.828 0.451 . . . . 75.5 110.65 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HD2' ' HB2' ' A' ' 55' ' ' LYS . 9.3 mmpt? -93.53 -41.28 9.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.677 0.791 . . . . 74.44 110.993 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.54 -176.51 46.83 Favored Glycine 0 C--N 1.344 0.984 0 O-C-N 123.61 0.569 . . . . 64.21 113.355 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -155.02 118.51 4.5 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.713 1.205 . . . . 70.01 107.977 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -147.66 144.25 28.23 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.098 0.559 . . . . 75.55 109.745 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.8 t70 66.3 -82.75 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.804 1.241 . . . . 75.43 109.623 -172.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.27 13.18 0.24 Allowed Glycine 0 C--N 1.338 0.684 0 N-CA-C 110.817 -0.913 . . . . 74.13 110.817 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.1 mm -106.15 117.22 51.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 C-N-CA 123.504 0.722 . . . . 70.42 109.528 -173.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.51 ' HB ' HG22 ' A' ' 88' ' ' VAL . 21.2 t -86.34 109.4 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.515 -0.92 . . . . 70.3 108.515 176.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -85.51 122.14 29.21 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.362 -0.977 . . . . 74.2 108.362 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.1 mt -131.48 140.01 49.46 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.248 0.619 . . . . 73.33 110.541 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.547 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 77.4 tttt -87.65 121.83 30.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.998 -1.001 . . . . 71.43 109.077 174.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.09 146.65 23.49 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.119 -1.067 . . . . 65.33 108.119 170.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -91.11 161.99 14.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.966 0.506 . . . . 74.44 110.455 -178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.403 ' HA2' ' OG1' ' A' ' 61' ' ' THR . . . -73.75 67.35 1.66 Allowed Glycine 0 C--N 1.352 1.449 0 O-C-N 124.461 1.101 . . . . 65.41 113.094 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.6 m -156.75 -59.06 0.09 Allowed 'General case' 0 C--O 1.234 0.258 0 N-CA-C 106.714 -1.587 . . . . 73.22 106.714 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 37.4 t -69.84 -36.6 75.71 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.582 -0.735 . . . . 72.21 110.601 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.403 ' OG1' ' HA2' ' A' ' 58' ' ' GLY . 34.8 p -63.48 -27.07 69.02 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.812 0.845 . . . . 63.53 112.037 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.1 m -61.6 -22.35 65.14 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.024 0.93 . . . . 73.42 112.527 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 81.6 m -124.47 112.79 27.65 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 123.972 0.909 . . . . 73.14 109.224 175.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.91 -28.08 86.41 Favored 'Trans proline' 0 C--N 1.381 2.239 0 C-N-CA 123.073 2.515 . . . . 74.11 113.248 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 t -73.15 -32.42 64.86 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.814 0.446 . . . . 72.53 110.557 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.1 m -66.22 -36.58 83.41 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.518 0.327 . . . . 74.44 110.483 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.68 -50.42 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.704 0.802 . . . . 74.32 110.538 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.64 -50.86 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.318 0.647 . . . . 73.34 110.755 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 m -60.63 -45.42 94.12 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.553 0.741 . . . . 63.23 111.587 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.423 ' O ' HG13 ' A' ' 74' ' ' ILE . 34.5 tp -63.98 -53.47 49.66 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.729 0.643 . . . . 74.54 110.227 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -56.82 -41.97 78.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.062 0.945 . . . . 74.1 111.142 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.26 -43.2 87.18 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.309 0.644 . . . . 64.32 111.563 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.49 -44.51 97.49 Favored Glycine 0 C--N 1.346 1.097 0 O-C-N 123.513 0.508 . . . . 54.42 112.038 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 70' ' ' LEU . 71.6 mt -64.02 -47.49 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.664 0.786 . . . . 73.31 109.93 177.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.32 -51.73 68.57 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.26 0.975 . . . . 74.4 110.975 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.43 -34.6 78.32 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 124.11 0.881 . . . . 44.15 111.334 -176.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 34.9 ttp -65.79 -52.08 53.74 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.54 0.525 . . . . 72.21 110.54 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.536 ' HB3' HG21 ' A' ' 85' ' ' VAL . 91.2 mt -62.4 -38.26 88.95 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.628 0.771 . . . . 65.44 111.004 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 70.9 mt-30 -65.44 -37.7 87.69 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.337 0.655 . . . . 71.54 111.286 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -63.04 -31.43 72.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.739 0.816 . . . . 64.54 111.433 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -105.76 -21.81 13.09 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.293 0.637 . . . . 73.35 111.974 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.8 mt -133.81 108.78 11.87 Favored Pre-proline 0 N--CA 1.488 1.472 0 C-N-CA 123.774 0.83 . . . . 75.41 109.782 -173.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -70.86 -11.77 29.87 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 122.661 2.241 . . . . 74.53 113.304 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.22 -35.54 78.1 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.478 0.711 . . . . 71.35 110.846 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.536 HG21 ' HB3' ' A' ' 78' ' ' LEU . 85.0 t -69.03 105.02 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.86 -0.609 . . . . 72.45 109.845 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -84.19 -30.16 26.01 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.099 0.96 . . . . 64.32 110.727 170.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.22 -173.01 37.93 Favored Glycine 0 C--N 1.348 1.22 0 CA-C-N 116.33 -0.396 . . . . 45.44 113.488 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.51 HG22 ' HB ' ' A' ' 52' ' ' VAL . 55.3 t -137.57 133.21 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.892 1.277 . . . . 75.14 108.75 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -107.11 137.31 45.41 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.138 0.975 . . . . 63.11 109.397 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -85.86 128.97 34.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.579 -0.897 . . . . 75.55 108.579 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 3.5 m -136.51 162.04 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.216 1.407 . . . . 74.4 107.27 166.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.519 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 17.8 ptm -143.5 84.16 1.8 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.876 0.846 . . . . 75.23 110.012 171.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -136.64 155.39 49.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.676 1.19 . . . . 74.32 108.949 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -174.92 -167.08 0.26 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.643 0.777 . . . . 70.51 110.96 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -115.12 -5.16 12.44 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.627 1.171 . . . . 71.12 112.093 -174.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.1 t -113.37 12.72 18.86 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.826 0.85 . . . . 75.25 111.231 -172.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 CA--C 1.552 1.048 0 C-N-CA 123.87 0.868 . . . . 74.54 111.024 178.295 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 120.699 0.285 . . . . 73.33 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.8 171.37 41.96 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 116.183 -0.462 . . . . 73.53 112.129 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -80.32 75.83 7.12 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.662 0.744 . . . . 73.32 109.718 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -75.55 95.99 3.43 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 122.11 0.957 . . . . 72.44 110.49 -174.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -124.06 126.24 45.9 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 107.611 -1.255 . . . . 74.42 107.611 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -77.19 79.32 3.71 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.129 0.966 . . . . 75.45 110.703 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.0 p80 -98.35 19.07 15.01 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.878 -1.055 . . . . 53.33 111.115 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -129.89 76.88 1.75 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.548 0.739 . . . . 72.11 109.189 172.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.1 t -139.08 109.13 6.36 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.003 -0.999 . . . . 75.34 108.378 172.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -64.17 -33.8 76.62 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.909 -0.587 . . . . 75.41 111.005 176.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.3 mmt -77.73 113.36 15.5 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 109.295 -0.631 . . . . 74.41 109.295 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.23 85.98 0.32 Allowed Glycine 0 C--N 1.345 1.044 0 N-CA-C 111.324 -0.71 . . . . 73.21 111.324 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.5 p -69.24 106.46 2.88 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 122.775 0.43 . . . . 74.44 109.969 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.81 142.14 58.05 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 108.723 -0.843 . . . . 74.22 108.723 172.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 47' ' ' PHE . 12.5 mm-40 -63.12 122.7 16.75 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 108.222 -1.029 . . . . 72.22 108.222 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -53.8 122.92 10.95 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.566 1.166 . . . . 65.4 110.781 -171.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.563 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 6.6 p-10 -70.94 -7.81 48.64 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.136 0.574 . . . . 74.34 112.018 -175.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.43 -46.29 20.57 Favored Glycine 0 C--N 1.353 1.498 0 N-CA-C 111.044 -0.823 . . . . 72.41 111.044 166.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.476 HG13 HD13 ' A' ' 82' ' ' ILE . 57.2 t -58.85 -49.73 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.674 0.79 . . . . 75.22 109.905 172.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.563 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 41.9 t -59.38 -43.76 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.978 1.311 . . . . 74.33 111.631 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.61 90.72 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.337 0.655 . . . . 72.23 111.994 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.7 ptm -74.46 -24.55 59.06 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 119.299 -0.381 . . . . 72.11 111.036 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 19' ' ' VAL . 82.0 mt -64.08 -50.94 74.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.113 0 N-CA-C 108.8 -0.815 . . . . 72.45 108.8 170.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -52.49 -41.65 63.59 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 124.067 0.854 . . . . 73.14 111.25 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.18 -51.86 58.5 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.107 0.88 . . . . 62.24 110.779 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.1 mt -58.63 -33.91 70.58 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.782 0.833 . . . . 64.11 111.379 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -69.29 -56.35 7.81 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.88 -0.6 . . . . 73.44 109.831 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.21 -34.06 77.48 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.739 0.816 . . . . 53.31 112.14 -167.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -86.27 -49.29 7.8 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.282 0.633 . . . . 70.1 111.565 -176.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mtp-105 -91.83 -59.19 2.18 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.5 0.32 . . . . 73.45 111.384 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.477 ' O ' HG22 ' A' ' 35' ' ' VAL . 44.9 mm -75.93 -60.33 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-O 118.644 -0.693 . . . . 73.12 111.598 -163.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.44 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 74.8 mtp180 -45.78 -53.16 21.53 Favored Pre-proline 0 N--CA 1.489 1.506 0 CA-C-O 117.366 -1.302 . . . . 74.5 112.327 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.44 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 78.5 Cg_exo -51.95 -45.0 41.48 Favored 'Trans proline' 0 C--N 1.404 3.479 0 C-N-CA 122.965 2.444 . . . . 72.41 113.342 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.1 m -60.55 -47.67 85.16 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.213 1.005 . . . . 74.11 111.672 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 31' ' ' ILE . 15.3 t -69.08 -31.5 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 115.263 -0.881 . . . . 72.3 110.625 -177.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -71.36 -23.9 61.99 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.6 0.76 . . . . 75.43 111.584 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.53 -36.43 82.68 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.862 -0.421 . . . . 63.21 109.862 172.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -77.63 -23.43 49.76 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.376 -0.829 . . . . 73.21 110.683 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.51 -3.53 29.4 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 116.218 -0.446 . . . . 53.12 113.177 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.86 -158.52 33.12 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 112.182 -0.367 . . . . 64.03 112.182 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -173.33 160.19 3.92 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.171 0.988 . . . . 73.3 108.966 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 m -123.76 125.14 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 109.195 -0.669 . . . . 70.45 109.195 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.487 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.5 mp -113.84 127.61 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 107.852 -1.166 . . . . 70.32 107.852 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -67.97 119.04 11.96 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 110.162 -0.31 . . . . 74.44 110.162 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.52 ' HG3' HG23 ' A' ' 91' ' ' VAL . 10.9 mmpt? -99.44 -45.51 5.81 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.493 0.717 . . . . 75.2 110.557 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.97 -172.98 44.55 Favored Glycine 0 C--N 1.34 0.797 0 C-N-CA 121.341 -0.457 . . . . 61.52 113.866 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.427 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 20.7 t80 -153.97 115.26 4.12 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 106.334 -1.728 . . . . 75.42 106.334 -178.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.89 134.67 15.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.045 0.538 . . . . 75.22 110.161 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.74 24.6 14.67 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.628 1.171 . . . . 72.43 111.113 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.3 -1.27 88.63 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 115.976 -0.556 . . . . 63.22 113.721 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mm -96.24 110.77 25.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 C-N-CA 123.859 0.864 . . . . 74.31 109.718 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.487 HG21 HD11 ' A' ' 78' ' ' LEU . 38.3 t -79.84 104.34 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 108.161 -1.051 . . . . 64.23 108.161 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.481 ' HB3' HG22 ' A' ' 91' ' ' VAL . 73.6 mt-30 -88.41 122.73 32.23 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 109.254 -0.647 . . . . 74.33 109.254 -175.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.8 mt -131.36 142.6 50.1 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.924 0.89 . . . . 61.42 111.597 -172.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.522 ' HG3' ' HA ' ' A' ' 92' ' ' MET . 86.3 tttt -89.41 116.54 27.68 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.015 0.926 . . . . 75.45 109.611 176.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.2 mt -92.76 146.15 23.86 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.251 -0.648 . . . . 74.22 109.251 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -102.28 176.12 5.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.116 0.567 . . . . 75.24 110.666 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.91 166.63 2.66 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 123.957 0.786 . . . . 64.34 114.955 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.2 t 77.07 -57.04 0.53 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.709 1.604 . . . . 71.25 110.658 -173.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.459 ' SG ' HG13 ' A' ' 35' ' ' VAL . 58.5 m -62.96 -40.07 96.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.464 0.706 . . . . 73.14 110.68 173.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.432 HG23 ' SD ' ' A' ' 92' ' ' MET . 55.3 p -80.46 -11.25 59.7 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.348 -0.842 . . . . 63.23 112.572 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.5 m -66.62 -29.42 69.46 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.036 0.534 . . . . 71.12 111.436 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 72.9 m -122.32 121.82 27.65 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 123.639 0.775 . . . . 73.5 110.243 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.75 -39.04 85.24 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.25 2.634 . . . . 71.24 112.335 173.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 p -63.02 -36.75 84.6 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.988 0.915 . . . . 74.41 111.503 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.6 m -71.77 -34.81 69.76 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.061 0.545 . . . . 62.35 110.987 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.29 -46.3 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.305 0.642 . . . . 73.34 109.963 173.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.25 -54.2 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.077 0.951 . . . . 72.41 110.846 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.3 m -59.07 -45.11 91.63 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.954 0.902 . . . . 74.43 111.226 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.71 -50.11 70.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.289 0.635 . . . . 73.23 110.64 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.35 -37.81 70.53 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.348 1.059 . . . . 72.32 111.185 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -69.82 -41.42 75.03 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.906 0.883 . . . . 72.3 111.746 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.61 -45.58 95.52 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.897 -0.481 . . . . 73.2 111.897 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.62 -42.84 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.241 1.016 . . . . 74.05 110.233 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.423 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 34.6 tt0 -56.48 -60.4 3.58 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.731 0.813 . . . . 70.52 110.675 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -60.04 -36.83 78.16 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.49 0.716 . . . . 73.2 111.809 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.6 ttp -58.41 -58.45 8.44 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 123.5 0.5 . . . . 75.24 109.808 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.55 ' HB3' HG21 ' A' ' 85' ' ' VAL . 95.3 mt -63.94 -31.35 72.51 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.683 0.793 . . . . 72.13 111.7 -177.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -76.14 -23.47 54.82 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.798 0.839 . . . . 72.22 112.149 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -69.01 -45.99 69.13 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.617 0.573 . . . . 75.22 109.846 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -86.09 -37.67 18.59 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.664 -0.698 . . . . 73.15 110.798 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.476 HD13 HG13 ' A' ' 19' ' ' VAL . 45.7 mt -124.34 107.89 29.68 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 124.117 0.967 . . . . 74.41 109.766 -170.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.11 -4.69 15.83 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.546 2.164 . . . . 61.34 113.21 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -78.39 -12.74 60.02 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.005 0.522 . . . . 74.12 111.304 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.55 HG21 ' HB3' ' A' ' 78' ' ' LEU . 99.3 t -84.38 104.58 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 109.761 -0.459 . . . . 72.33 109.761 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.32 -35.95 66.15 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.031 0.932 . . . . 74.23 110.569 171.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.423 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -179.58 -170.53 41.45 Favored Glycine 0 C--N 1.34 0.776 0 CA-C-N 115.858 -0.61 . . . . 73.51 112.513 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 73.1 t -130.99 149.32 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.108 1.363 . . . . 71.32 108.673 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -137.96 149.78 46.45 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.309 0.643 . . . . 75.14 110.337 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -85.53 127.67 34.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.835 0.854 . . . . 75.2 109.205 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.52 HG23 ' HG3' ' A' ' 45' ' ' LYS . 2.6 m -143.13 110.01 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.286 1.434 . . . . 74.52 108.569 173.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.522 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 44.9 mtm -111.4 105.83 14.57 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.57 -0.706 . . . . 71.42 110.051 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -74.91 82.8 2.19 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 107.753 -1.203 . . . . 62.14 107.753 167.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -67.96 127.44 32.87 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.695 -1.138 . . . . 72.14 110.259 -170.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.72 2.74 7.6 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.923 0.889 . . . . 75.24 112.454 -175.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.1 m -87.3 49.27 1.78 Allowed 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 124.189 0.996 . . . . 73.22 109.553 168.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 124.461 1.104 . . . . 74.44 108.926 -177.923 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 120.446 0.165 . . . . 73.52 111.086 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.67 94.95 0.78 Allowed Glycine 0 C--N 1.352 1.422 0 N-CA-C 111.737 -0.545 . . . . 74.22 111.737 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -150.56 72.96 1.11 Allowed 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.569 0.699 . . . . 75.54 110.687 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -172.04 98.29 0.17 Allowed 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 108.494 -0.928 . . . . 50.13 108.494 171.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -88.29 107.62 18.91 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.234 -0.654 . . . . 64.35 109.234 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -80.56 147.24 30.88 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.396 -0.594 . . . . 74.45 109.396 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -119.62 153.77 35.0 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.493 0.717 . . . . 73.24 111.265 -170.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -103.58 -48.14 4.05 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.923 0.889 . . . . 73.11 109.987 170.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 p -78.46 82.43 4.73 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 121.181 0.515 . . . . 72.12 110.695 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -91.61 95.96 10.2 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.072 -1.085 . . . . 73.23 108.072 178.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.1 mtt -73.59 163.79 27.53 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.615 0.766 . . . . 53.04 111.128 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.18 -0.6 71.4 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-N 115.408 -0.814 . . . . 75.25 113.367 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.3 m -72.32 78.23 1.0 Allowed 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.071 0.948 . . . . 73.14 110.534 176.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -138.62 156.75 47.18 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.114 0.966 . . . . 75.24 110.169 -173.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.13 137.7 24.83 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 107.253 -1.388 . . . . 72.14 107.253 162.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.15 106.1 2.3 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.206 -0.664 . . . . 72.3 109.206 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -61.37 -23.14 65.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.615 0.766 . . . . 74.41 110.927 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.39 -40.81 79.54 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.909 0.755 . . . . 73.13 112.528 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.46 ' O ' HG13 ' A' ' 23' ' ' ILE . 55.5 t -63.09 -50.57 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.294 0.638 . . . . 75.13 109.646 173.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.465 HG13 ' HE3' ' A' ' 24' ' ' LYS . 98.2 t -57.9 -42.02 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.193 0.997 . . . . 75.23 110.846 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.16 83.64 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.854 0.862 . . . . 65.13 111.289 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.5 ptm -74.37 -24.84 59.21 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 119.096 -0.478 . . . . 62.44 110.8 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 19' ' ' VAL . 78.8 mt -62.83 -48.27 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 N-CA-C 108.579 -0.897 . . . . 75.11 108.579 171.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HE3' HG13 ' A' ' 20' ' ' VAL . 97.9 mttt -55.92 -41.72 74.99 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.012 0.82 . . . . 74.14 111.986 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.78 -42.6 63.78 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 110.051 -0.352 . . . . 75.14 110.051 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' HB3' ' HE1' ' A' ' 77' ' ' MET . 89.3 mt -63.3 -32.11 73.43 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.727 0.811 . . . . 74.54 110.967 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.16 -56.85 8.19 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 108.945 -0.761 . . . . 75.04 108.945 171.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.06 -31.77 72.98 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.453 0.701 . . . . 72.15 112.845 -170.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.3 p -92.17 -37.9 12.45 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.747 0.819 . . . . 72.22 111.925 -174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -106.96 -57.55 2.05 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.847 0.459 . . . . 72.04 112.138 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.46 ' O ' HG22 ' A' ' 35' ' ' VAL . 51.2 mm -75.99 -63.79 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 122.724 0.41 . . . . 74.22 111.306 -167.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -43.73 -50.92 17.62 Favored Pre-proline 0 CA--C 1.56 1.363 0 CA-C-O 117.375 -1.298 . . . . 72.42 113.429 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.95 -46.68 32.17 Favored 'Trans proline' 0 C--N 1.397 3.105 0 C-N-CA 122.614 2.209 . . . . 73.01 113.219 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -61.81 -43.37 98.98 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.937 0.895 . . . . 74.44 111.578 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.471 HG23 HD12 ' A' ' 70' ' ' LEU . 9.7 t -72.5 -30.04 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.319 0.648 . . . . 65.22 110.738 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -74.35 -25.87 59.78 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.401 0.68 . . . . 72.41 110.882 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.43 -32.37 62.62 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.237 0.615 . . . . 64.11 109.643 169.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -76.06 -21.02 57.23 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.372 -0.831 . . . . 74.55 111.084 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.42 -26.04 5.84 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 116.473 -0.331 . . . . 70.25 113.248 172.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.401 ' HA3' ' SG ' ' A' ' 60' ' ' CYS . . . -105.44 -142.45 11.2 Favored Glycine 0 N--CA 1.472 1.061 0 CA-C-N 116.851 0.325 . . . . 63.13 112.852 -177.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -174.2 164.65 4.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.212 1.005 . . . . 72.12 109.233 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.07 124.22 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 109.026 -0.731 . . . . 75.42 109.026 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.2 mp -106.71 124.66 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.331 -0.989 . . . . 72.12 108.331 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.79 107.62 3.58 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 123.618 0.573 . . . . 71.23 110.05 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -98.65 -34.41 10.57 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.736 0.814 . . . . 74.31 111.326 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.04 -176.94 47.25 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 115.165 0.826 . . . . 74.25 115.165 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -156.73 109.43 2.55 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 125.24 1.416 . . . . 73.11 107.32 176.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -141.89 131.26 23.66 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.117 -1.068 . . . . 73.34 108.117 -176.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 63.3 23.47 13.81 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.393 1.077 . . . . 72.13 110.727 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.489 ' HA3' ' HG2' ' A' ' 86' ' ' GLU . . . 81.1 6.45 89.41 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 115.891 -0.595 . . . . 71.13 113.538 -176.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.6 mm -100.95 115.64 42.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 123.637 0.775 . . . . 73.21 109.556 -177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.572 ' HB ' HG21 ' A' ' 88' ' ' VAL . 32.2 t -82.38 110.61 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 123.919 0.888 . . . . 75.43 109.257 -178.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -88.9 120.3 30.18 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.119 0.568 . . . . 74.42 109.492 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.1 mt -129.23 143.8 50.99 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.629 0.772 . . . . 75.23 110.363 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.529 ' HE3' ' NE2' ' A' ' 57' ' ' GLN . 55.7 tttp -90.15 125.74 35.56 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.827 -0.805 . . . . 71.0 108.827 169.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.8 mt -94.54 139.46 31.14 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.323 -0.992 . . . . 72.13 108.323 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.529 ' NE2' ' HE3' ' A' ' 55' ' ' LYS . 71.4 mm-40 -94.75 169.03 10.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.143 0.577 . . . . 71.54 110.99 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.51 151.27 32.78 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 115.462 -0.79 . . . . 74.24 112.784 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.5 m 72.56 9.49 5.69 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.234 1.414 . . . . 71.11 111.858 -171.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.401 ' SG ' ' HA3' ' A' ' 40' ' ' GLY . 67.9 m -137.28 -37.53 0.63 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.353 1.061 . . . . 73.12 109.395 175.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -96.69 3.11 52.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.566 0.747 . . . . 65.43 111.401 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.1 m -74.4 -39.44 62.67 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.056 0.542 . . . . 73.02 110.891 -176.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 82.5 m -107.11 122.54 41.15 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 123.642 0.777 . . . . 73.24 109.507 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.35 -33.71 92.3 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.489 2.793 . . . . 74.45 113.394 178.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.7 m -59.83 -45.65 91.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.381 0.672 . . . . 74.22 110.683 175.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.8 m -67.29 -34.69 77.93 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.173 -0.921 . . . . 73.33 111.1 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.2 -51.45 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.349 0.659 . . . . 72.34 110.515 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.02 -51.68 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.529 0.731 . . . . 75.24 110.81 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.8 m -59.84 -46.84 88.01 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.857 0.863 . . . . 75.11 111.146 -177.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.471 HD12 HG23 ' A' ' 35' ' ' VAL . 46.0 tp -62.56 -53.26 57.3 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.749 0.656 . . . . 73.44 110.239 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.34 -39.5 76.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.379 1.072 . . . . 75.03 111.698 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -67.69 -38.95 84.4 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.499 0.72 . . . . 75.44 111.263 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.73 -47.24 85.5 Favored Glycine 0 C--N 1.348 1.195 0 O-C-N 123.48 0.488 . . . . 65.24 112.082 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 70' ' ' LEU . 57.4 mt -60.15 -43.93 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.04 0.936 . . . . 74.41 109.863 176.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.447 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 9.1 tt0 -58.65 -57.62 12.2 Favored 'General case' 0 C--O 1.22 -0.473 0 O-C-N 124.424 1.077 . . . . 72.43 111.06 -178.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.94 -27.01 67.13 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.319 0.647 . . . . 64.22 111.667 -175.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.438 ' HE1' ' HB3' ' A' ' 26' ' ' LEU . 15.0 tmm? -69.93 -53.07 19.53 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.704 -0.48 . . . . 74.23 109.704 174.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.547 ' HB3' HG21 ' A' ' 85' ' ' VAL . 75.1 mt -62.91 -28.46 70.07 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.617 0.767 . . . . 72.31 111.684 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.5 mt-30 -78.55 -31.13 47.29 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.627 0.771 . . . . 74.33 111.189 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -64.65 -41.64 95.98 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.158 0.583 . . . . 74.24 110.183 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -86.13 -34.29 20.64 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.642 0.777 . . . . 71.32 111.536 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.402 HG22 HG11 ' A' ' 19' ' ' VAL . 16.2 mt -132.18 119.16 16.49 Favored Pre-proline 0 N--CA 1.49 1.531 0 C-N-CA 123.104 0.561 . . . . 71.23 110.411 -170.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.72 -5.13 15.18 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.595 2.197 . . . . 74.02 113.091 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -81.1 -23.64 38.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.906 0.882 . . . . 73.13 111.22 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' A' ' 78' ' ' LEU . 86.5 t -74.83 103.13 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 109.075 -0.713 . . . . 65.12 109.075 176.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.489 ' HG2' ' HA3' ' A' ' 50' ' ' GLY . 8.6 mm-40 -77.48 -27.01 51.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.783 0.833 . . . . 72.0 109.859 174.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.447 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 179.11 -171.16 43.13 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 116.004 -0.544 . . . . 65.44 113.212 176.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.572 HG21 ' HB ' ' A' ' 52' ' ' VAL . 76.8 t -131.49 136.49 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 125.309 1.444 . . . . 71.34 107.877 174.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -120.77 144.55 48.23 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.227 0.611 . . . . 73.34 110.06 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -85.51 116.59 23.9 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.292 -0.633 . . . . 71.14 109.292 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 9.0 m -109.03 150.52 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 107.393 -1.336 . . . . 74.52 107.393 164.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 94.9 mtp -137.43 108.2 6.64 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 122.209 -0.307 . . . . 73.35 110.929 -172.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -82.29 77.29 9.1 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.765 0.793 . . . . 75.11 109.061 167.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -134.4 159.41 41.16 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 114.437 -1.256 . . . . 75.25 108.641 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -72.98 -54.64 8.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.979 0.512 . . . . 70.12 110.0 -174.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.1 t -173.81 174.56 3.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.93 1.292 . . . . 75.05 108.765 175.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--O 1.254 1.317 0 CA-C-O 119.008 -0.52 . . . . 73.03 110.485 175.577 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.77 0.319 . . . . 74.43 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.38 99.62 0.23 Allowed Glycine 0 CA--C 1.504 -0.637 0 N-CA-C 110.328 -1.109 . . . . 72.23 110.328 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -71.3 99.55 1.96 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 121.96 0.886 . . . . 75.13 110.968 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -85.61 -179.75 6.95 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.082 -0.963 . . . . 70.33 109.723 171.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -69.93 145.25 52.07 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.27 -1.011 . . . . 74.43 108.27 173.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -79.16 8.93 5.03 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.142 0.977 . . . . 73.52 112.977 -167.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 61.87 63.14 1.16 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.911 1.285 . . . . 75.11 111.394 169.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -140.18 81.99 1.84 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.398 0.679 . . . . 75.15 109.424 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 m -126.07 103.43 7.72 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.617 0.767 . . . . 75.0 110.028 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -156.81 143.82 18.68 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.342 -0.985 . . . . 74.31 108.342 174.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.8 109.2 4.29 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 110.01 -0.367 . . . . 72.55 110.01 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.5 169.39 44.38 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-N 115.983 -0.553 . . . . 75.31 112.969 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.406 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 15.4 m -72.77 147.1 45.87 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.14 0.576 . . . . 74.32 109.784 177.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -7.58 24.84 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.489 1.116 . . . . 74.34 113.284 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' HG2' ' HB2' ' A' ' 13' ' ' SER . 14.1 pt-20 -66.62 -12.99 60.55 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.046 0.939 . . . . 73.22 112.305 171.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.6 169.39 11.15 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.905 1.282 . . . . 74.53 111.683 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.94 -8.95 17.77 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.685 1.194 . . . . 75.52 112.218 178.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.27 -36.09 10.08 Favored Glycine 0 C--N 1.365 2.148 0 N-CA-C 115.639 1.015 . . . . 71.03 115.639 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 23' ' ' ILE . 59.9 t -59.23 -58.21 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.33 0.652 . . . . 72.13 110.066 172.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.512 HG12 ' HE3' ' A' ' 24' ' ' LYS . 64.7 t -60.63 -33.72 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.838 1.255 . . . . 61.25 110.953 -178.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.42 -44.64 67.5 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.599 1.16 . . . . 71.34 110.692 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.486 ' HG3' HD12 ' A' ' 82' ' ' ILE . 26.9 ptm -74.48 -25.04 59.13 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.612 -0.709 . . . . 74.24 110.979 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 19' ' ' VAL . 83.5 mt -62.39 -49.36 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 109.357 -0.608 . . . . 74.35 109.357 173.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HE3' HG12 ' A' ' 20' ' ' VAL . 79.7 mttt -49.48 -44.8 46.19 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.165 0.986 . . . . 71.32 111.389 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.0 -53.9 15.62 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.874 -1.057 . . . . 72.02 111.613 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.77 -37.06 70.56 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.331 1.052 . . . . 70.13 111.205 -176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.54 -57.37 7.42 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.764 -0.653 . . . . 74.14 110.584 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.87 -36.23 83.24 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.332 0.653 . . . . 75.03 112.422 -168.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.8 p -85.4 -45.44 11.87 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.958 -0.564 . . . . 74.45 111.405 -176.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -95.66 -58.28 2.15 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.581 0.352 . . . . 75.44 111.804 -173.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.4 mm -78.54 -58.41 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 118.949 -0.548 . . . . 75.04 111.616 -164.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -45.56 -54.52 15.11 Favored Pre-proline 0 C--N 1.367 1.369 0 CA-C-O 117.011 -1.471 . . . . 75.14 112.511 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.488 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 53.0 Cg_exo -55.43 -42.29 69.57 Favored 'Trans proline' 0 C--N 1.408 3.662 0 C-N-CA 122.514 2.143 . . . . 71.42 112.493 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.5 m -61.65 -48.28 81.55 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.341 1.056 . . . . 74.01 111.621 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 31' ' ' ILE . 11.6 t -69.34 -32.99 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.335 0.654 . . . . 73.11 110.471 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -67.56 -30.7 70.4 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.601 0.76 . . . . 74.23 110.828 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 18.2 mm-40 -70.09 -31.94 69.76 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.501 0.32 . . . . 51.52 111.105 174.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.6 -21.84 51.75 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.471 0.709 . . . . 72.14 110.401 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.19 -16.47 15.19 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-O 119.965 -0.353 . . . . 55.33 112.948 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.77 -158.28 33.73 Favored Glycine 0 C--N 1.351 1.395 0 C-N-CA 122.952 0.31 . . . . 72.42 112.83 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -173.16 159.34 3.85 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.311 1.044 . . . . 74.12 108.816 175.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.29 113.62 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 N-CA-C 108.358 -0.978 . . . . 74.31 108.358 177.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.542 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.6 mp -106.84 114.54 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 107.174 -1.417 . . . . 61.34 107.174 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.503 ' HH ' HG11 ' A' ' 20' ' ' VAL . 30.2 t80 -66.12 109.13 2.48 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.007 0.523 . . . . 71.54 110.168 -174.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.537 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 11.0 mmpt? -94.47 -42.55 8.79 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.614 0.766 . . . . 75.33 110.824 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.28 -179.31 47.52 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 121.01 -0.614 . . . . 70.52 114.11 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -160.3 122.85 3.32 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.208 -1.405 . . . . 74.34 107.208 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.78 138.24 32.13 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 108.926 -0.768 . . . . 75.32 108.926 173.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 62.64 -82.36 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.057 1.343 . . . . 72.44 110.611 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.63 4.65 0.79 Allowed Glycine 0 C--N 1.348 1.203 0 CA-C-O 120.191 -0.227 . . . . 62.44 113.241 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.9 mm -104.22 117.87 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 122.908 0.483 . . . . 73.52 109.99 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.498 HG21 HD13 ' A' ' 78' ' ' LEU . 42.2 t -89.37 105.24 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.256 1.022 . . . . 72.13 108.667 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -86.23 116.7 24.58 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 109.857 -0.423 . . . . 74.41 109.857 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.4 mt -122.86 145.44 48.44 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.39 1.076 . . . . 71.2 110.289 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.542 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 81.9 tttt -89.65 106.97 18.81 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.439 -0.948 . . . . 75.31 108.439 174.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.6 mt -90.42 126.71 35.98 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.815 -1.18 . . . . 75.41 107.815 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -92.55 173.31 7.85 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.37 0.668 . . . . 75.3 110.867 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.23 169.5 13.73 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-N 115.78 -0.646 . . . . 74.43 113.907 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m 75.22 -49.23 0.64 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 126.234 1.814 . . . . 65.21 111.587 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.711 ' SG ' HD22 ' A' ' 70' ' ' LEU . 53.1 t -70.99 -35.09 71.95 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.858 0.463 . . . . 73.34 110.931 174.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.4 p -92.55 27.2 2.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.475 0.71 . . . . 73.24 111.661 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.0 p -65.69 -36.63 84.17 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.081 0.953 . . . . 74.12 111.806 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.8 p -141.41 143.89 31.81 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 123.586 0.754 . . . . 75.11 109.822 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HA ' HD13 ' A' ' 67' ' ' ILE . 54.1 Cg_exo -54.03 -29.23 53.88 Favored 'Trans proline' 0 C--N 1.391 2.765 0 C-N-CA 123.681 2.921 . . . . 73.5 113.859 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 p -60.86 -49.28 78.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.488 0.715 . . . . 75.43 110.74 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -68.22 -33.07 73.74 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.241 0.616 . . . . 63.32 112.239 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.496 HD13 ' HA ' ' A' ' 64' ' ' PRO . 69.7 mt -62.32 -51.75 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.783 0.833 . . . . 74.44 110.807 176.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.8 mt -68.14 -39.65 81.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.801 0.841 . . . . 75.35 111.133 -178.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.8 m -65.67 -37.74 87.34 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.24 0.616 . . . . 74.24 111.104 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.711 HD22 ' SG ' ' A' ' 60' ' ' CYS . 56.1 tp -68.83 -47.17 66.69 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 109.792 -0.447 . . . . 74.24 109.792 175.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.95 -33.24 68.63 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.662 1.185 . . . . 74.45 111.474 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -82.15 -35.82 28.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.222 1.009 . . . . 74.12 111.204 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.42 -49.96 66.09 Favored Glycine 0 N--CA 1.469 0.869 0 CA-C-O 121.142 0.301 . . . . 74.3 112.464 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.7 mt -62.75 -41.77 93.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 124.322 1.049 . . . . 74.31 110.158 175.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.489 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 8.6 tt0 -53.36 -58.78 5.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.451 1.1 . . . . 60.13 110.821 177.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -61.57 -34.99 76.54 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.643 0.777 . . . . 75.31 112.17 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -67.14 -50.56 60.86 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.932 0.493 . . . . 63.41 109.844 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HB3' HG22 ' A' ' 85' ' ' VAL . 89.3 mt -64.53 -30.88 71.91 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.721 0.808 . . . . 74.45 111.534 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.7 mt-30 -74.6 -36.12 62.97 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.496 0.718 . . . . 72.43 111.02 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -58.43 -41.79 85.81 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.868 0.867 . . . . 73.11 110.292 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -88.49 -35.36 17.05 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.61 -0.723 . . . . 72.33 111.779 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.486 HD12 ' HG3' ' A' ' 22' ' ' MET . 26.3 mt -130.38 109.76 16.33 Favored Pre-proline 0 N--CA 1.486 1.368 0 C-N-CA 123.77 0.828 . . . . 71.31 109.923 -168.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.02 -3.14 13.12 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 122.664 2.243 . . . . 75.2 113.309 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -79.34 -26.05 42.18 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.572 0.749 . . . . 72.23 111.049 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.517 HG22 ' HB3' ' A' ' 78' ' ' LEU . 95.9 t -74.85 109.78 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.146 0.578 . . . . 64.45 109.543 176.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.76 -27.81 26.64 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.397 0.679 . . . . 74.22 110.564 171.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.489 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -175.77 -177.01 44.48 Favored Glycine 0 C--N 1.344 0.985 0 CA-C-N 116.222 -0.445 . . . . 61.2 113.405 -177.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.483 HG21 ' HB ' ' A' ' 52' ' ' VAL . 62.2 t -128.18 153.3 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 125.944 1.698 . . . . 72.5 107.392 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -142.83 143.02 31.96 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.426 0.69 . . . . 71.42 109.302 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -85.18 132.89 34.22 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.07 0.462 . . . . 64.12 110.597 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 3.8 m -135.46 161.91 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.425 1.49 . . . . 64.33 108.284 171.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.1 ptp -145.73 108.45 4.5 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.427 0.691 . . . . 74.32 110.587 175.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.405 ' HA ' ' HB2' ' A' ' 97' ' ' ASP . 16.3 p-10 -71.72 81.94 0.87 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 122.346 1.07 . . . . 75.33 108.184 169.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -160.21 -73.88 0.07 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.85 -1.068 . . . . 74.04 109.541 -166.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -123.22 19.8 9.83 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 122.97 0.508 . . . . 73.32 111.829 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.2 t -162.63 -65.68 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.724 0.409 . . . . 73.32 110.865 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 93' ' ' ASP . 38.9 t70 . . . . . 0 CA--C 1.559 1.312 0 C-N-CA 124.786 1.234 . . . . 74.43 109.692 -171.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.43 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.304 -0.628 . . . . 64.21 109.304 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.29 80.35 0.98 Allowed Glycine 0 C--N 1.341 0.839 0 N-CA-C 110.855 -0.898 . . . . 55.43 110.855 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -61.22 130.35 45.79 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.981 0.512 . . . . 74.13 110.311 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -75.68 83.11 2.67 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 123.177 0.591 . . . . 64.41 109.513 -175.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -155.97 10.23 0.27 Allowed 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.417 -0.811 . . . . 75.35 110.63 178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -75.19 -56.06 5.1 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.963 -1.125 . . . . 64.14 107.963 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -169.8 144.32 2.8 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.893 0.746 . . . . 74.25 109.728 171.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -74.32 131.73 41.42 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 108.82 -0.807 . . . . 74.22 108.82 168.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 p -60.27 -33.06 71.79 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.478 0.711 . . . . 61.33 110.62 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -131.46 122.22 25.86 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 107.209 -1.404 . . . . 70.21 107.209 173.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.4 mtm -71.52 88.85 0.94 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.37 0.668 . . . . 72.23 111.327 -175.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.83 -105.24 0.74 Allowed Glycine 0 N--CA 1.466 0.671 0 N-CA-C 110.373 -1.091 . . . . 61.42 110.373 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t 75.86 -50.59 0.62 Allowed 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.392 1.477 . . . . 65.25 112.177 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.45 2.48 1.72 Allowed 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.551 1.14 . . . . 41.13 113.042 174.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.42 -166.61 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 124.744 1.217 . . . . 74.43 111.397 172.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 64.44 28.25 13.54 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.765 0.826 . . . . 73.51 109.448 -168.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.85 -13.65 60.59 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.848 1.259 . . . . 75.32 111.217 -176.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.8 -38.83 96.07 Favored Glycine 0 C--N 1.349 1.257 0 N-CA-C 111.164 -0.775 . . . . 71.45 111.164 169.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.0 -48.59 87.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 123.455 0.702 . . . . 62.35 109.93 172.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.408 HG13 ' OH ' ' A' ' 44' ' ' TYR . 55.0 t -55.97 -43.58 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.78 0.832 . . . . 73.11 111.565 178.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.6 80.72 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.452 0.701 . . . . 72.11 111.874 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.425 ' HG3' HD12 ' A' ' 82' ' ' ILE . 26.7 ptm -75.53 -23.04 56.6 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.619 -0.264 . . . . 73.03 110.922 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.9 -46.1 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 108.635 -0.876 . . . . 71.3 108.635 169.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -56.92 -42.6 80.28 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.601 0.76 . . . . 74.11 111.729 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -69.11 -46.0 68.79 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 109.457 -0.571 . . . . 62.43 109.457 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' HB3' ' HE1' ' A' ' 77' ' ' MET . 89.7 mt -63.43 -31.91 73.21 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 123.189 0.596 . . . . 72.44 111.507 -177.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.44 -56.52 6.42 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.002 -0.545 . . . . 74.15 109.624 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.58 -36.21 82.08 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.892 0.477 . . . . 75.33 111.636 -168.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.8 p -83.13 -39.64 20.82 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.098 0.559 . . . . 73.0 111.544 -175.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -105.3 -58.13 1.94 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.833 0.453 . . . . 72.43 111.371 -172.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 35' ' ' VAL . 47.9 mm -75.57 -59.95 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 115.864 -0.607 . . . . 62.31 110.666 -164.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.44 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 69.6 mtp180 -46.78 -52.71 30.27 Favored Pre-proline 0 N--CA 1.487 1.376 0 CA-C-O 117.403 -1.284 . . . . 75.51 112.479 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.44 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 64.0 Cg_exo -53.96 -43.75 55.39 Favored 'Trans proline' 0 C--N 1.394 2.967 0 C-N-CA 122.58 2.186 . . . . 74.51 113.201 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -60.74 -45.55 93.85 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.671 0.788 . . . . 62.24 111.214 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 31' ' ' ILE . 22.0 t -72.86 -29.64 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.311 0.644 . . . . 75.11 111.042 -178.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 76.2 mt-30 -71.69 -38.01 70.64 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.269 0.628 . . . . 64.21 110.513 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.07 -42.2 97.08 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.356 0.662 . . . . 74.5 109.86 170.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.1 -22.11 66.9 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.444 1.098 . . . . 74.32 111.505 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.35 -30.88 3.23 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-O 119.907 -0.385 . . . . 74.31 112.815 171.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -105.35 -137.92 9.17 Favored Glycine 0 C--N 1.342 0.885 0 CA-C-N 116.821 0.311 . . . . 74.34 113.291 -175.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -174.01 159.05 3.24 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 124.631 1.172 . . . . 75.51 108.525 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.8 m -120.75 124.5 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.513 -0.921 . . . . 73.43 108.513 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.3 mp -114.18 122.75 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.173 -1.047 . . . . 75.1 108.173 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.408 ' OH ' HG13 ' A' ' 20' ' ' VAL . 85.3 t80 -67.97 113.45 5.68 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.362 0.665 . . . . 74.2 109.91 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 11.4 mmpt? -94.28 -41.66 9.34 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.223 0.609 . . . . 75.33 110.582 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.08 -178.45 48.28 Favored Glycine 0 C--N 1.351 1.388 0 C-N-CA 120.805 -0.712 . . . . 43.31 114.353 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -156.11 112.66 3.12 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.38 -1.341 . . . . 71.52 107.38 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -129.33 142.65 50.77 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 107.82 -1.178 . . . . 70.35 107.82 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 62.08 -84.93 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.47 1.108 . . . . 63.33 109.665 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.58 9.9 0.41 Allowed Glycine 0 C--N 1.338 0.694 0 C-N-CA 123.736 0.684 . . . . 75.13 112.061 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.4 mm -99.49 117.23 44.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 123.403 0.681 . . . . 75.22 109.448 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.526 ' HB ' HG23 ' A' ' 88' ' ' VAL . 21.5 t -85.88 108.37 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 108.478 -0.934 . . . . 75.35 108.478 176.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -84.77 114.74 22.28 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.522 -0.547 . . . . 73.24 109.522 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.54 135.28 53.04 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.3 1.04 . . . . 75.31 110.306 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -88.64 131.82 34.82 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.813 0.845 . . . . 64.51 108.834 173.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 41.4 mt -101.21 141.43 34.11 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.695 -0.483 . . . . 73.43 109.695 175.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -97.05 174.9 6.52 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.802 0.841 . . . . 74.55 110.275 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.24 159.97 7.81 Favored Glycine 0 C--N 1.361 1.921 0 O-C-N 124.199 0.937 . . . . 64.42 113.832 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.3 m 76.39 -57.1 0.56 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 125.705 1.602 . . . . 54.54 110.286 -169.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.5 m -68.83 -38.62 79.98 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.692 0.797 . . . . 75.13 111.859 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.449 ' HA ' HG12 ' A' ' 67' ' ' ILE . 8.3 t -95.69 4.26 53.17 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.208 0.603 . . . . 70.33 111.39 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -76.82 -46.44 24.88 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 122.93 0.492 . . . . 74.33 111.514 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.6 p -112.74 128.51 25.48 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 123.934 0.894 . . . . 74.44 109.862 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -54.38 -25.59 40.21 Favored 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.797 2.998 . . . . 74.44 114.385 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 t -58.16 -48.23 80.93 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 123.823 0.849 . . . . 75.13 110.434 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -72.83 -37.02 67.59 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.31 -0.859 . . . . 75.44 111.287 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.449 HG12 ' HA ' ' A' ' 61' ' ' THR . 66.9 mt -57.6 -55.25 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 123.86 0.864 . . . . 74.43 111.726 -178.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.7 mt -67.71 -49.13 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 115.436 -0.802 . . . . 72.2 110.739 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.1 m -66.36 -35.8 81.28 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.15 0.58 . . . . 63.51 112.182 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' O ' HG13 ' A' ' 74' ' ' ILE . 40.5 tp -65.58 -53.93 34.97 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.384 -0.598 . . . . 72.33 109.384 176.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -55.01 -40.25 69.95 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 124.22 0.95 . . . . 71.33 111.791 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -71.01 -42.64 69.33 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.336 0.655 . . . . 75.33 111.147 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.85 -45.3 96.03 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 112.34 -0.304 . . . . 72.43 112.34 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 70' ' ' LEU . 64.1 mt -60.77 -44.52 97.57 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 C-N-CA 124.23 1.012 . . . . 75.23 109.831 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -57.67 -54.4 47.32 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.414 1.071 . . . . 72.52 111.009 -177.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -64.22 -33.4 75.71 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.438 0.461 . . . . 73.43 111.73 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.47 ' HE1' ' HB3' ' A' ' 26' ' ' LEU . 15.6 tmm? -67.92 -45.81 73.31 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.886 0.374 . . . . 71.01 110.529 176.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.535 ' HB3' HG22 ' A' ' 85' ' ' VAL . 81.8 mt -67.12 -29.06 68.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.386 0.674 . . . . 72.21 111.437 177.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.7 mt-30 -81.59 -23.8 36.88 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.589 0.756 . . . . 65.05 111.625 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.28 -39.57 93.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.01 0.924 . . . . 74.22 109.91 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -91.73 -43.85 9.33 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.994 -1.003 . . . . 73.33 111.903 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.425 HD12 ' HG3' ' A' ' 22' ' ' MET . 33.2 mt -125.18 108.45 27.39 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 123.542 0.737 . . . . 73.31 109.953 -167.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.79 -12.73 35.3 Favored 'Trans proline' 0 C--N 1.369 1.61 0 C-N-CA 122.65 2.234 . . . . 73.44 112.682 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -70.05 -26.25 63.94 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.484 0.714 . . . . 63.25 110.815 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.535 HG22 ' HB3' ' A' ' 78' ' ' LEU . 91.8 t -71.1 101.34 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 108.388 -0.968 . . . . 75.42 108.388 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -85.0 -26.33 27.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.019 -0.991 . . . . 73.32 110.324 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.11 178.88 46.69 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 115.711 -0.677 . . . . 62.22 112.263 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.526 HG23 ' HB ' ' A' ' 52' ' ' VAL . 74.1 t -131.91 146.65 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.739 1.216 . . . . 74.34 108.058 174.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -127.26 143.2 51.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.164 0.586 . . . . 64.31 110.062 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.406 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 45.3 tt0 -84.26 117.18 23.38 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 108.04 -1.096 . . . . 74.2 108.04 170.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.6 m -117.6 112.33 38.32 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.624 0.726 . . . . 64.12 109.972 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 64.5 mtm -78.03 85.78 4.23 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 108.242 -1.021 . . . . 75.24 108.242 173.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -106.8 108.13 19.49 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.82 -1.178 . . . . 73.32 107.82 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.4 t70 66.61 79.74 0.23 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.341 1.057 . . . . 75.13 110.296 -171.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -79.98 -36.62 35.77 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.52 -0.764 . . . . 70.24 109.696 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 t -172.57 41.76 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 106.925 -1.509 . . . . 73.2 106.925 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 . . . . . 0 N--CA 1.482 1.173 0 C-N-CA 124.379 1.072 . . . . 74.14 109.073 -167.532 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtm . . . . . 0 N--CA 1.483 1.175 0 N-CA-C 109.452 -0.573 . . . . 74.23 109.452 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.5 -125.09 22.94 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 119.651 -0.527 . . . . 75.4 113.134 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.7 m80 60.92 23.81 13.87 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.389 1.075 . . . . 74.24 111.317 -175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -140.16 84.91 1.99 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.68 -1.23 . . . . 74.4 107.68 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -168.9 164.61 11.68 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.262 1.025 . . . . 75.52 109.084 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -82.43 106.26 14.16 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.377 0.271 . . . . 75.1 110.419 176.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -64.96 104.67 0.89 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 106.255 -1.757 . . . . 74.42 106.255 161.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -66.72 85.29 0.11 Allowed 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 122.187 0.994 . . . . 74.43 112.219 -168.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -96.3 -172.36 2.51 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.318 1.047 . . . . 72.44 110.509 -175.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -166.4 114.05 0.88 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.367 -0.975 . . . . 71.21 108.367 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 38.9 ttp -93.74 44.92 1.14 Allowed 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 121.614 0.721 . . . . 74.1 110.259 -173.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -78.77 68.23 3.06 Favored Glycine 0 C--N 1.357 1.698 0 CA-C-N 115.551 -0.749 . . . . 74.35 111.765 177.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.6 p -159.54 -52.82 0.06 Allowed 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.417 1.087 . . . . 74.14 108.074 -169.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -137.36 120.42 16.62 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.781 -1.1 . . . . 74.34 108.559 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -140.18 57.87 1.59 Allowed 'General case' 0 C--O 1.243 0.713 0 N-CA-C 107.46 -1.311 . . . . 64.33 107.46 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -96.45 146.07 25.1 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 114.14 -1.391 . . . . 70.34 110.137 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -84.45 7.39 19.91 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.533 0.733 . . . . 62.31 111.515 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.96 -56.18 6.65 Favored Glycine 0 C--N 1.354 1.552 0 N-CA-C 112.094 -0.403 . . . . 71.23 112.094 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.93 -44.26 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.593 0.757 . . . . 72.43 110.43 174.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.42 HG11 ' HE3' ' A' ' 24' ' ' LYS . 73.7 t -60.78 -43.17 94.74 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 123.85 0.86 . . . . 73.44 111.481 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.58 87.73 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.128 0.571 . . . . 74.21 111.721 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.0 ptm -76.25 -26.19 55.73 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 111.636 0.235 . . . . 75.5 111.636 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 85.0 mt -65.76 -49.43 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.578 -0.897 . . . . 72.31 108.578 169.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HE3' HG11 ' A' ' 20' ' ' VAL . 98.3 mttt -54.08 -42.13 68.97 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.068 0.947 . . . . 73.23 112.008 179.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -73.36 -41.85 62.92 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-O 119.005 -0.521 . . . . 65.2 110.385 -177.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.66 -32.8 73.93 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 122.962 0.505 . . . . 73.43 111.471 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 77.7 mt -68.88 -54.53 15.11 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.878 -0.601 . . . . 71.51 109.526 172.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -63.51 -29.29 70.58 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.556 1.142 . . . . 74.3 112.793 -171.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -90.44 -46.7 8.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.288 0.635 . . . . 53.53 111.674 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 26.1 mtp180 -98.93 -56.09 2.53 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.766 0.426 . . . . 72.53 111.28 -173.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -76.19 -61.77 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 118.962 -0.542 . . . . 73.43 110.983 -164.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -49.17 -49.62 68.62 Favored Pre-proline 0 CA--C 1.557 1.248 0 CA-C-O 117.399 -1.286 . . . . 75.33 113.342 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.436 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 66.1 Cg_exo -54.02 -46.82 30.74 Favored 'Trans proline' 0 C--N 1.399 3.203 0 C-N-CA 122.128 1.886 . . . . 63.31 112.592 176.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.8 m -64.22 -43.38 95.15 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.074 0.95 . . . . 62.44 111.75 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.526 HG13 ' SG ' ' A' ' 60' ' ' CYS . 61.6 t -74.52 -32.03 29.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 123.922 0.889 . . . . 74.14 111.233 -176.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.0 -22.68 52.73 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.157 0.583 . . . . 73.13 111.148 176.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 26.4 mm-40 -78.34 -31.07 48.48 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.371 -0.603 . . . . 72.33 109.371 169.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -72.42 -24.15 61.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.378 0.671 . . . . 71.33 110.454 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.41 -19.75 6.67 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 116.424 -0.353 . . . . 70.42 113.394 174.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.23 -145.92 16.08 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-O 120.129 -0.262 . . . . 64.31 113.289 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -172.39 162.01 5.3 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.905 1.282 . . . . 72.23 108.726 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.9 m -120.76 122.04 66.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 N-CA-C 108.076 -1.083 . . . . 75.01 108.076 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.7 mp -106.51 123.32 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 107.339 -1.356 . . . . 72.34 107.339 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -67.62 119.88 13.1 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 109.561 -0.533 . . . . 75.2 109.561 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.711 ' HA ' ' HZ1' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -109.21 -43.57 4.12 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.543 0.737 . . . . 74.42 111.486 -174.526 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.89 178.93 41.48 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 114.277 0.471 . . . . 71.31 114.277 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -157.78 112.96 2.72 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.868 1.267 . . . . 73.12 107.978 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -126.63 104.48 8.13 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.89 -0.411 . . . . 63.24 109.89 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 65.04 10.27 6.16 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.434 1.093 . . . . 72.42 112.875 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.79 -17.03 6.44 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-O 120.105 -0.275 . . . . 71.03 113.627 -176.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.8 mm -86.92 101.54 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 109.325 -0.62 . . . . 73.51 109.325 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.454 HG23 HD12 ' A' ' 78' ' ' LEU . 50.5 t -78.71 116.23 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.242 1.017 . . . . 72.13 108.45 177.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -105.2 120.11 40.71 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.793 -0.447 . . . . 74.2 109.793 -174.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.4 mt -126.81 143.76 51.16 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.817 1.247 . . . . 74.14 109.889 -173.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . 87.7 tttt -87.22 105.78 17.45 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.984 -1.117 . . . . 73.31 107.984 173.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.6 mt -86.75 126.42 34.58 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.71 -1.218 . . . . 75.22 107.71 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -94.39 168.07 11.12 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.316 0.646 . . . . 61.11 111.161 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.54 161.75 9.1 Favored Glycine 0 C--N 1.36 1.881 0 O-C-N 124.192 0.932 . . . . 64.22 113.969 -178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.6 t 78.16 -41.74 0.33 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 125.895 1.678 . . . . 65.51 111.385 -172.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.526 ' SG ' HG13 ' A' ' 35' ' ' VAL . 58.2 m -85.47 -13.25 49.74 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.506 0.722 . . . . 72.14 111.561 176.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.8 p -107.16 24.57 12.61 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.275 1.03 . . . . 75.03 111.86 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -67.29 92.38 0.28 Allowed 'General case' 0 CA--C 1.546 0.825 0 O-C-N 123.466 0.479 . . . . 74.45 110.32 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 59.6 m 74.69 152.61 0.14 Allowed Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 125.266 1.426 . . . . 72.24 111.074 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -53.14 -26.05 31.71 Favored 'Trans proline' 0 C--N 1.394 2.948 0 C-N-CA 123.381 2.721 . . . . 75.5 114.35 -177.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.8 t -58.47 -57.42 13.02 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.275 0.63 . . . . 71.41 110.677 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -62.19 -35.71 79.68 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.328 0.651 . . . . 71.03 112.132 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.22 -54.51 33.92 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 C-N-CA 123.941 0.896 . . . . 75.31 111.111 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.6 mt -69.19 -37.12 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 123.736 0.814 . . . . 74.3 111.219 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.1 m -66.67 -42.6 86.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.387 0.675 . . . . 73.32 111.03 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.32 -46.78 82.04 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.775 0.672 . . . . 70.01 109.646 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.43 -40.3 78.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.382 1.473 . . . . 73.33 111.052 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -76.65 -33.98 58.29 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.681 0.792 . . . . 62.54 111.71 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.04 -45.5 95.97 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.521 -0.632 . . . . 74.14 111.521 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.81 -39.26 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 C-N-CA 124.245 1.018 . . . . 74.14 110.0 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.528 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 33.0 tt0 -56.64 -61.5 2.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.375 1.07 . . . . 74.24 111.122 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -66.94 -30.13 70.18 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 123.522 0.514 . . . . 64.25 111.727 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.443 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 35.1 ttp -64.04 -51.98 61.6 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 110.055 -0.35 . . . . 72.44 110.055 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.515 ' HB3' HG21 ' A' ' 85' ' ' VAL . 96.4 mt -65.3 -39.03 91.97 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 123.341 0.657 . . . . 75.02 111.233 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -67.51 -30.86 70.64 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.454 0.701 . . . . 74.54 111.947 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.25 -46.11 90.3 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.657 0.783 . . . . 63.42 110.229 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -87.75 -34.67 18.26 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.05 0.54 . . . . 61.31 111.607 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mt -123.13 107.68 32.7 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.7 1.2 . . . . 73.32 108.843 -168.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.66 -4.03 14.78 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 122.389 2.06 . . . . 71.2 112.455 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -78.36 -27.62 46.98 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.669 0.788 . . . . 74.45 111.278 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' A' ' 78' ' ' LEU . 99.4 t -73.11 117.51 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 C-N-CA 123.287 0.635 . . . . 74.55 110.692 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -83.89 -35.09 24.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.926 1.29 . . . . 72.55 110.285 173.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.528 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 178.7 -167.46 37.87 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 115.562 -0.745 . . . . 74.45 112.106 -178.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.403 HG21 ' HB ' ' A' ' 52' ' ' VAL . 87.5 t -131.19 161.28 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 N-CA-C 107.849 -1.167 . . . . 74.34 107.849 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.28 145.84 31.42 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.36 0.664 . . . . 72.53 109.39 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -84.02 119.26 24.72 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.46 -0.941 . . . . 53.53 108.46 170.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.455 HG23 ' HG3' ' A' ' 45' ' ' LYS . 5.2 m -125.14 108.47 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 108.647 -0.872 . . . . 75.34 108.647 170.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 81.2 mtp -85.97 97.12 10.07 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.997 -0.742 . . . . 63.41 108.997 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.82 66.95 8.97 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 122.748 1.261 . . . . 64.34 108.95 170.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -99.44 -53.29 3.25 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.426 -1.715 . . . . 73.33 107.39 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -110.85 -23.89 10.74 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 114.191 -1.368 . . . . 75.34 109.192 164.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.2 t 65.1 21.3 12.18 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.142 0.977 . . . . 71.3 111.972 176.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 CA--C 1.554 1.122 0 C-N-CA 123.929 0.892 . . . . 71.43 110.228 -177.082 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 110.234 -0.284 . . . . 73.13 110.234 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.87 -37.94 93.31 Favored Glycine 0 C--N 1.352 1.429 0 O-C-N 123.835 0.71 . . . . 75.24 112.677 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -63.58 124.13 20.59 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.317 0.647 . . . . 70.33 109.444 174.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -82.82 160.97 22.11 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.459 0.704 . . . . 74.51 110.063 176.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -137.12 145.82 44.3 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.299 0.64 . . . . 75.23 109.855 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -114.67 160.66 19.09 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.787 0.835 . . . . 74.11 109.947 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -163.98 163.34 23.48 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.45 0.7 . . . . 74.55 110.03 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -88.65 139.72 30.18 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.13 0.572 . . . . 74.1 109.58 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 p -80.7 121.79 26.32 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.632 0.773 . . . . 73.32 111.017 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -80.59 81.98 6.72 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.78 0.832 . . . . 64.43 110.235 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.0 mmt -91.82 95.98 10.15 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.423 -0.808 . . . . 74.1 109.961 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.12 148.59 5.77 Favored Glycine 0 C--N 1.35 1.336 0 C-N-CA 121.332 -0.461 . . . . 51.5 113.845 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.2 p -172.96 51.33 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.802 1.241 . . . . 71.02 108.927 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -75.89 -77.9 0.12 Allowed 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 114.557 -1.201 . . . . 74.43 113.171 -169.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -131.62 12.61 4.91 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.349 0.659 . . . . 61.12 111.298 -170.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.26 -178.87 6.8 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.988 0.915 . . . . 62.34 110.636 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -72.11 -4.26 27.95 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.149 0.58 . . . . 72.11 111.106 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.23 -34.22 88.48 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 123.372 0.42 . . . . 72.34 112.882 171.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 23' ' ' ILE . 95.3 t -60.29 -51.08 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.181 0.592 . . . . 75.33 109.625 171.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.499 HG13 ' HE3' ' A' ' 24' ' ' LYS . 90.3 t -58.6 -40.81 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 124.394 1.078 . . . . 73.31 110.852 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.04 82.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.872 0.869 . . . . 74.14 111.593 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.527 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.6 ptm -79.19 -22.65 44.63 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 119.357 -0.354 . . . . 72.12 111.41 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 19' ' ' VAL . 89.2 mt -67.81 -41.06 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 108.999 -0.741 . . . . 73.13 108.999 170.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.499 ' HE3' HG13 ' A' ' 20' ' ' VAL . 99.5 mttt -52.5 -44.0 65.4 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.387 0.675 . . . . 75.33 111.679 177.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.54 -38.72 54.62 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 119.046 -0.502 . . . . 64.31 110.178 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 -28.85 70.29 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 118.401 0.546 . . . . 74.21 111.502 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.03 -55.59 6.3 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 109.06 -0.719 . . . . 75.14 109.06 171.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.84 -32.02 73.52 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.353 0.661 . . . . 64.44 112.31 -168.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -86.87 -38.22 16.96 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.385 0.674 . . . . 70.21 111.338 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 22.9 mtp-105 -108.42 -58.46 1.99 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 111.847 0.314 . . . . 75.25 111.847 -173.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 35' ' ' VAL . 47.8 mm -76.69 -58.3 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.117 0.567 . . . . 74.1 111.751 -166.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -48.59 -50.49 58.88 Favored Pre-proline 0 CA--C 1.56 1.353 0 CA-C-O 117.481 -1.247 . . . . 74.34 112.842 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.72 -37.87 84.41 Favored 'Trans proline' 0 C--N 1.398 3.153 0 C-N-CA 122.216 1.944 . . . . 71.14 113.181 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.9 m -69.47 -49.46 54.65 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.76 0.824 . . . . 72.24 111.421 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 31' ' ' ILE . 14.6 t -71.35 -31.14 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 123.134 0.574 . . . . 75.55 110.809 -174.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -69.02 -27.83 66.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.307 0.643 . . . . 74.45 111.21 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.27 -36.24 68.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.47 0.308 . . . . 63.32 110.173 170.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.04 -19.88 60.48 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.248 0.619 . . . . 75.42 111.303 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.62 3.96 28.54 Favored Glycine 0 C--N 1.344 1.012 0 CA-C-O 119.832 -0.427 . . . . 71.31 113.259 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.92 -152.43 9.19 Favored Glycine 0 N--CA 1.472 1.092 0 C-N-CA 123.364 0.507 . . . . 52.15 112.314 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' HB2' ' A' ' 57' ' ' GLN . 26.5 t70 -172.69 163.21 5.16 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.478 1.111 . . . . 64.22 108.744 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.26 119.22 57.79 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 CA-C-O 121.347 0.594 . . . . 72.5 109.47 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.57 128.92 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.764 -1.198 . . . . 73.0 107.764 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.22 123.44 27.42 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 109.302 -0.629 . . . . 71.41 109.302 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -104.43 -47.79 4.01 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.964 0.906 . . . . 74.23 111.729 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.97 -179.9 47.59 Favored Glycine 0 N--CA 1.477 1.372 0 C-N-CA 120.618 -0.801 . . . . 53.12 114.144 -176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -151.41 117.9 5.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.965 0.906 . . . . 64.51 109.019 -175.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -143.67 142.22 30.9 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.113 0.565 . . . . 72.23 109.821 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 63.74 -77.99 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.34 1.456 . . . . 75.11 110.606 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.88 13.24 0.16 Allowed Glycine 0 C--N 1.338 0.641 0 N-CA-C 111.147 -0.781 . . . . 73.33 111.147 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.9 mm -103.65 119.93 52.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 123.179 0.592 . . . . 73.13 109.752 -172.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.461 ' HB ' HG22 ' A' ' 88' ' ' VAL . 28.1 t -86.86 101.51 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 108.753 -0.832 . . . . 75.32 108.753 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -79.93 114.13 18.61 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.101 0.56 . . . . 72.23 110.013 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -123.31 135.57 54.27 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.836 1.254 . . . . 72.33 109.974 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 85.8 tttt -88.74 110.16 20.76 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.527 -0.545 . . . . 75.11 109.527 173.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.425 HD13 HG22 ' A' ' 67' ' ' ILE . 42.1 mt -85.19 140.6 30.78 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.533 -0.914 . . . . 74.41 108.533 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.408 ' HB2' ' N ' ' A' ' 41' ' ' ASP . 78.8 mm-40 -96.05 175.88 6.31 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.472 0.709 . . . . 70.33 110.889 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.79 171.59 0.8 Allowed Glycine 0 C--N 1.357 1.697 0 O-C-N 124.144 0.902 . . . . 72.4 115.342 -175.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m 74.11 -61.97 0.48 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.528 1.531 . . . . 64.25 110.229 -171.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.4 m -62.49 -42.93 99.83 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.614 0.766 . . . . 71.24 111.035 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.408 HG22 ' NE2' ' A' ' 90' ' ' GLN . 71.4 p -77.39 -18.75 57.04 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.532 0.733 . . . . 71.12 112.382 -178.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -73.58 -11.36 60.41 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.44 0.696 . . . . 75.05 111.385 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 66' ' ' SER . 1.6 p -132.86 106.79 12.68 Favored Pre-proline 0 CA--C 1.563 1.457 0 C-N-CA 124.517 1.127 . . . . 73.21 109.126 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.91 -38.57 94.41 Favored 'Trans proline' 0 C--N 1.388 2.612 0 C-N-CA 123.969 3.113 . . . . 70.12 115.363 -171.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 m -70.48 -33.89 71.76 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 117.705 0.23 . . . . 74.1 110.741 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.436 ' HB3' ' SG ' ' A' ' 63' ' ' CYS . 19.5 t -68.5 -31.6 70.99 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.071 0.548 . . . . 61.02 110.839 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.425 HG22 HD13 ' A' ' 56' ' ' LEU . 78.3 mt -57.23 -53.11 47.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.947 0 C-N-CA 123.755 0.822 . . . . 75.13 110.072 171.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.03 -46.92 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-N 114.698 -1.137 . . . . 75.52 110.563 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.5 m -65.05 -40.63 95.04 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.806 0.843 . . . . 74.45 111.503 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.71 -50.61 70.45 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.127 0.571 . . . . 74.4 109.897 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -38.89 72.2 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.155 1.382 . . . . 73.44 111.292 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -68.23 -39.9 82.17 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.792 0.837 . . . . 74.44 111.419 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.75 -46.03 92.94 Favored Glycine 0 C--N 1.346 1.086 0 O-C-N 123.431 0.457 . . . . 42.11 112.27 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.44 -42.92 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.069 0.947 . . . . 63.31 109.885 176.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.89 -55.86 28.02 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.957 -1.02 . . . . 71.43 111.272 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.64 -32.14 72.28 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.713 0.805 . . . . 74.45 111.349 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.451 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 45.6 ttp -62.64 -54.85 33.26 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.068 0.547 . . . . 74.11 110.158 171.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.522 ' HB3' HG23 ' A' ' 85' ' ' VAL . 83.6 mt -66.46 -27.55 67.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.044 0.937 . . . . 75.21 112.321 -175.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 97.7 mt-30 -81.32 -26.6 35.51 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.197 0.599 . . . . 72.32 111.216 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.96 -39.51 83.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 122.905 0.482 . . . . 74.43 109.936 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -86.82 -65.7 0.99 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.974 -0.557 . . . . 75.13 110.471 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.527 HD11 ' HG3' ' A' ' 22' ' ' MET . 46.3 mt -97.85 118.02 64.46 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 124.45 1.1 . . . . 71.52 110.873 -173.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.67 -14.5 24.54 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 123.074 2.516 . . . . 65.52 113.221 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.41 -27.66 64.45 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.218 0.607 . . . . 73.0 110.953 -176.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.522 HG23 ' HB3' ' A' ' 78' ' ' LEU . 57.5 t -72.12 99.53 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 123.587 0.755 . . . . 73.12 110.482 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.96 -28.34 57.87 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 123.741 0.816 . . . . 73.43 110.64 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.2 -176.39 43.44 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 116.328 -0.396 . . . . 71.3 113.058 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.461 HG22 ' HB ' ' A' ' 52' ' ' VAL . 63.1 t -129.28 148.85 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.958 1.303 . . . . 74.22 107.981 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -130.15 142.5 50.58 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.18 0.592 . . . . 73.42 109.826 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.408 ' NE2' HG22 ' A' ' 61' ' ' THR . 42.6 tt0 -85.8 116.31 23.97 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.525 -0.917 . . . . 72.12 108.525 169.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 13.3 m -117.81 141.97 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.5 -0.926 . . . . 73.24 108.5 171.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.1 ptm -141.16 96.92 3.07 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.465 0.65 . . . . 62.14 110.462 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -73.68 95.59 2.37 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 108.514 -0.921 . . . . 70.54 108.514 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -76.37 91.93 3.32 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 122.063 0.935 . . . . 72.44 109.36 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -65.29 -25.66 67.73 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.985 1.314 . . . . 75.23 112.224 -172.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.3 t -142.56 28.11 1.65 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.206 1.002 . . . . 75.12 109.038 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 N--CA 1.486 1.349 0 C-N-CA 124.444 1.097 . . . . 74.12 110.724 -173.838 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.7 mtp . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.664 -0.495 . . . . 72.23 109.664 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.66 99.77 0.22 Allowed Glycine 0 C--N 1.345 1.054 0 O-C-N 123.607 0.567 . . . . 75.35 111.996 -175.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -69.95 -22.82 63.14 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.166 0.586 . . . . 71.44 110.148 175.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -127.1 121.82 32.55 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.483 1.113 . . . . 75.24 109.5 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -129.75 108.22 10.01 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 107.937 -1.135 . . . . 73.44 107.937 172.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -99.68 144.04 29.22 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.004 0.522 . . . . 75.32 110.184 -173.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 63.4 86.36 0.12 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.948 1.299 . . . . 71.14 110.522 -177.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -85.68 94.01 8.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.853 -0.612 . . . . 64.33 109.615 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.9 t -67.13 110.66 3.53 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.733 0.813 . . . . 71.03 109.91 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -118.32 113.13 20.97 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.625 0.77 . . . . 63.33 109.919 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.5 tpt -139.38 124.44 18.82 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.424 0.69 . . . . 74.23 109.207 174.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.73 -37.34 0.02 OUTLIER Glycine 0 C--N 1.337 0.592 0 N-CA-C 110.65 -0.98 . . . . 71.11 110.65 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.9 t -95.0 125.46 39.68 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 108.143 -1.058 . . . . 73.32 108.143 167.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -66.0 117.19 7.99 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.397 0.617 . . . . 74.42 110.386 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -75.46 163.76 27.08 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.512 -0.767 . . . . 64.45 111.06 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.86 -34.32 77.68 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.849 -0.614 . . . . 70.32 110.863 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.427 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 19.7 t70 -72.57 -10.83 60.27 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 115.564 -0.744 . . . . 72.0 110.739 176.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.11 -43.98 96.42 Favored Glycine 0 C--N 1.349 1.285 0 N-CA-C 111.59 -0.604 . . . . 71.42 111.59 170.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 23' ' ' ILE . 76.3 t -60.5 -50.73 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.819 0.847 . . . . 72.14 109.507 172.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.427 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 64.7 t -58.16 -39.46 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.705 1.202 . . . . 63.51 112.194 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.26 -42.25 69.01 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.36 0.664 . . . . 71.31 110.974 -175.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.542 ' HG3' HD11 ' A' ' 82' ' ' ILE . 25.2 ptm -73.26 -23.98 60.39 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 119.057 -0.497 . . . . 74.14 110.969 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 19' ' ' VAL . 81.1 mt -64.09 -48.81 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 108.722 -0.844 . . . . 73.42 108.722 169.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HE3' HG11 ' A' ' 20' ' ' VAL . 99.4 mttt -52.5 -45.03 66.03 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.964 0.905 . . . . 74.43 111.868 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.35 -38.94 55.17 Favored 'General case' 0 C--O 1.207 -1.145 0 CA-C-O 118.948 -0.549 . . . . 71.34 110.583 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.72 -28.89 70.19 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 118.355 0.525 . . . . 63.35 110.86 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -74.82 -54.91 6.45 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.225 -0.657 . . . . 75.45 109.225 171.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.97 -26.4 68.82 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.731 0.812 . . . . 74.55 112.858 -171.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.0 p -91.4 -52.33 4.84 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.651 0.78 . . . . 71.21 110.477 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -91.11 -49.85 6.17 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.54 0.57 . . . . 73.32 112.54 -169.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.8 mm -89.61 -59.09 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.023 0.529 . . . . 73.43 112.26 -168.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 50.1 mtp180 -49.53 -54.08 34.4 Favored Pre-proline 0 N--CA 1.49 1.552 0 CA-C-O 117.676 -1.154 . . . . 75.13 113.186 -173.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 44.3 Cg_exo -57.96 -37.12 97.27 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 121.939 1.759 . . . . 70.51 112.529 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.9 m -63.18 -46.74 85.7 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.827 0.851 . . . . 73.14 110.966 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.2 t -73.04 -27.67 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 116.1 -0.5 . . . . 63.23 110.325 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -72.8 -30.06 63.77 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.113 0.565 . . . . 75.23 111.411 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -78.12 -26.22 47.81 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.914 0.486 . . . . 71.43 110.028 171.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -72.65 -22.56 60.91 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.642 0.777 . . . . 53.41 110.663 170.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.03 -24.42 10.75 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 116.22 -0.445 . . . . 52.44 112.899 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.09 -153.46 29.88 Favored Glycine 0 C--N 1.348 1.218 0 N-CA-C 112.189 -0.364 . . . . 75.24 112.189 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.444 ' HB3' ' HG3' ' A' ' 57' ' ' GLN . 21.9 t0 -173.13 159.39 3.89 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.987 0.915 . . . . 74.34 109.215 177.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 m -125.77 126.09 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 107.631 -1.248 . . . . 72.43 107.631 176.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -116.69 126.51 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 108.351 -0.981 . . . . 73.23 108.351 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -67.46 114.25 5.98 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 122.656 0.382 . . . . 71.42 110.304 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 9.4 mmpt? -97.92 -43.16 7.21 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.638 0.775 . . . . 73.42 111.612 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.37 -176.57 41.97 Favored Glycine 0 C--N 1.349 1.285 0 C-N-CA 120.756 -0.735 . . . . 61.33 114.586 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -156.26 110.96 2.84 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.927 1.291 . . . . 75.42 107.618 176.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -139.41 124.61 18.95 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.979 0.512 . . . . 74.24 109.892 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 57.51 33.0 22.69 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.912 1.285 . . . . 72.55 111.885 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.53 2.3 82.46 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.594 -0.73 . . . . 62.33 113.963 178.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.4 mm -101.91 114.27 40.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.353 0.661 . . . . 72.42 109.955 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.526 ' HB ' HG22 ' A' ' 88' ' ' VAL . 33.1 t -81.7 110.33 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.783 0.833 . . . . 74.24 109.324 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HB3' HG22 ' A' ' 91' ' ' VAL . 79.5 mt-30 -86.55 121.05 28.55 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.335 0.654 . . . . 74.13 109.853 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.6 mt -130.46 137.7 49.92 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.863 0.865 . . . . 75.44 111.47 -175.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -90.94 109.65 20.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.103 0.961 . . . . 74.31 109.523 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.7 mt -90.86 140.58 29.67 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.234 -0.654 . . . . 75.1 109.234 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.444 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 83.6 mm-40 -102.04 165.69 11.03 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.241 0.616 . . . . 74.44 112.287 -175.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.49 84.41 0.08 OUTLIER Glycine 0 C--N 1.356 1.643 0 CA-C-N 115.237 -0.892 . . . . 63.43 114.306 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t 176.56 -55.38 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.615 1.566 . . . . 70.04 107.924 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.3 p -75.32 -9.66 58.76 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.649 -1.16 . . . . 73.12 110.781 173.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -99.46 -1.93 37.31 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.231 1.013 . . . . 73.0 112.682 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.1 m -61.48 -21.8 64.51 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.308 0.855 . . . . 63.04 113.308 -171.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.3 p -146.34 148.37 34.28 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 123.397 0.679 . . . . 72.42 109.337 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.57 -27.31 81.61 Favored 'Trans proline' 0 C--N 1.385 2.468 0 C-N-CA 122.378 2.052 . . . . 75.41 111.77 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 m -56.72 -54.22 48.78 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.802 0.841 . . . . 64.34 111.382 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.9 p -68.19 -36.08 79.01 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.201 0.6 . . . . 73.12 111.937 -176.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.1 mt -54.22 -53.77 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.536 0.735 . . . . 74.33 110.584 175.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.35 -41.1 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.016 -0.993 . . . . 74.41 110.954 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.2 m -64.07 -44.86 91.12 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.277 0.631 . . . . 74.4 111.537 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.18 -50.47 73.53 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.184 0.594 . . . . 74.41 109.843 174.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -34.78 69.37 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.691 1.196 . . . . 75.22 112.005 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -75.85 -42.0 50.82 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.403 0.681 . . . . 71.04 111.491 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.46 -40.76 99.17 Favored Glycine 0 C--N 1.347 1.193 0 N-CA-C 111.83 -0.508 . . . . 72.03 111.83 178.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.2 -45.2 99.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.938 0.895 . . . . 75.24 110.54 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.63 -47.54 85.75 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.636 0.585 . . . . 74.21 111.13 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -39.58 92.61 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.585 0.754 . . . . 74.41 111.22 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.6 ttp -61.12 -55.91 26.98 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.708 0.63 . . . . 71.22 110.205 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.567 ' HB3' HG23 ' A' ' 85' ' ' VAL . 95.9 mt -64.15 -32.58 74.21 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.693 0.797 . . . . 71.33 111.839 -176.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -68.39 -32.4 72.45 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.904 0.481 . . . . 74.54 111.362 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.63 -45.89 84.91 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.475 0.485 . . . . 74.13 110.681 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -83.56 -27.84 29.0 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.74 -0.664 . . . . 75.32 111.32 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.542 HD11 ' HG3' ' A' ' 22' ' ' MET . 81.5 mt -141.71 112.15 6.37 Favored Pre-proline 0 N--CA 1.484 1.267 0 C-N-CA 123.884 0.874 . . . . 73.41 110.023 -168.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.28 -11.65 22.95 Favored 'Trans proline' 0 C--N 1.372 1.816 0 C-N-CA 122.332 2.021 . . . . 71.43 112.755 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.89 -28.54 66.78 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.548 0.739 . . . . 75.41 111.109 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 78' ' ' LEU . 84.0 t -71.61 104.84 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 109.343 -0.614 . . . . 72.12 109.343 176.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -91.81 -31.6 15.68 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.281 1.033 . . . . 72.43 110.459 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.96 175.05 38.5 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 116.094 -0.503 . . . . 74.44 112.379 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.526 HG22 ' HB ' ' A' ' 52' ' ' VAL . 82.9 t -131.58 142.81 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 108.152 -1.055 . . . . 71.25 108.152 173.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -124.75 143.06 50.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.267 1.027 . . . . 75.24 109.335 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -84.3 124.94 31.79 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.424 -0.954 . . . . 75.15 108.424 170.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.52 HG22 ' HB3' ' A' ' 53' ' ' GLN . 6.2 m -134.73 106.1 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 124.141 0.977 . . . . 75.52 108.733 172.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 81.4 mtp -90.96 96.22 10.52 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.408 -0.96 . . . . 72.55 108.408 177.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -58.24 141.19 51.52 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.103 -0.953 . . . . 73.32 110.385 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.18 98.81 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.065 1.346 . . . . 74.24 112.449 -171.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -125.17 -27.17 3.55 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.84 1.256 . . . . 64.14 111.117 -176.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.5 t -110.75 105.75 14.71 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.818 0.847 . . . . 74.05 110.097 -170.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 C--O 1.254 1.295 0 N-CA-C 108.824 -0.806 . . . . 71.53 108.824 178.779 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.509 0.195 . . . . 64.52 111.051 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.35 85.51 0.45 Allowed Glycine 0 C--N 1.346 1.132 0 CA-C-N 115.912 -0.585 . . . . 72.13 113.389 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -66.96 -20.97 65.98 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.731 0.777 . . . . 74.3 110.235 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -71.75 7.31 1.56 Allowed 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 126.047 1.739 . . . . 75.54 112.14 173.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -46.82 -55.66 7.55 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.528 1.131 . . . . 71.33 111.593 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -77.2 104.61 7.8 Favored 'General case' 0 CA--C 1.558 1.287 0 N-CA-C 109.312 -0.625 . . . . 74.23 109.312 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -158.73 140.22 13.37 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 122.078 -0.389 . . . . 75.51 110.282 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -84.76 159.96 20.36 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 107.424 -1.324 . . . . 73.31 107.424 162.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 m -60.92 103.53 0.28 Allowed 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.476 -0.935 . . . . 75.1 108.476 171.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -55.19 -34.91 64.29 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.658 1.183 . . . . 71.21 113.195 -162.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.3 ptp 72.02 -38.51 0.42 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 126.941 2.096 . . . . 73.24 114.239 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.13 79.62 0.88 Allowed Glycine 0 C--N 1.349 1.254 0 N-CA-C 111.522 -0.631 . . . . 52.01 111.522 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.2 p -65.42 108.35 1.94 Allowed 'General case' 0 C--O 1.244 0.78 0 C-N-CA 123.935 0.894 . . . . 73.23 109.044 175.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 73.09 -63.87 0.42 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.858 1.663 . . . . 72.53 111.009 -176.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -139.52 -83.0 0.27 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.176 0.59 . . . . 74.32 110.359 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -134.53 174.41 10.58 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 121.687 0.756 . . . . 75.23 111.887 -174.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -89.25 3.09 53.2 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 114.318 -1.31 . . . . 74.05 110.64 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.36 -57.14 19.63 Favored Glycine 0 C--N 1.361 1.917 0 N-CA-C 113.901 0.32 . . . . 75.32 113.901 -172.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 23' ' ' ILE . 75.6 t -64.69 -39.18 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 117.095 0.447 . . . . 71.22 109.942 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.49 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 63.9 t -57.63 -38.64 65.47 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 123.951 0.901 . . . . 74.25 110.486 178.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.56 87.07 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.353 1.061 . . . . 72.31 112.069 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.434 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 24.2 ptm -72.78 -27.06 61.77 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.044 0.137 . . . . 73.04 111.188 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 19' ' ' VAL . 64.9 mt -65.98 -39.86 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 109.371 -0.603 . . . . 74.32 109.371 173.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 92.1 mttt -52.36 -46.23 66.08 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.45 0.7 . . . . 74.04 111.524 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 22' ' ' MET . 10.2 pt-20 -72.59 -46.02 56.33 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.579 0.55 . . . . 63.42 109.668 -176.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.42 -32.29 71.2 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.242 0.617 . . . . 75.03 111.555 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.6 mt -72.3 -54.99 7.9 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 109.633 -0.506 . . . . 73.21 109.633 173.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.8 -24.42 66.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.488 0.715 . . . . 71.54 112.558 -170.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.9 p -91.92 -52.95 4.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.788 0.835 . . . . 72.13 111.359 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 49.2 mtp180 -89.17 -50.81 5.92 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.878 0.471 . . . . 74.24 111.94 -173.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.437 ' O ' HG21 ' A' ' 35' ' ' VAL . 50.7 mm -85.89 -65.17 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-O 118.801 -0.618 . . . . 74.2 111.53 -167.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 48.9 mtp180 -43.23 -56.27 6.83 Favored Pre-proline 0 N--CA 1.487 1.386 0 CA-C-O 117.313 -1.327 . . . . 71.31 113.442 -173.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.408 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 46.3 Cg_exo -56.91 -39.83 88.54 Favored 'Trans proline' 0 C--N 1.406 3.553 0 C-N-CA 122.304 2.002 . . . . 73.42 112.256 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.4 m -65.53 -44.11 87.91 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.81 0.844 . . . . 75.11 110.439 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 31' ' ' ILE . 14.1 t -70.66 -31.01 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.08 0.552 . . . . 75.02 110.518 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -67.14 -36.46 81.9 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.598 0.759 . . . . 71.45 110.815 176.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -73.26 -28.75 62.31 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.441 0.696 . . . . 72.03 110.632 173.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.04 -22.73 58.23 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.864 0.865 . . . . 75.31 111.179 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.68 -5.98 26.1 Favored Glycine 0 N--CA 1.473 1.139 0 CA-C-O 119.835 -0.425 . . . . 45.13 113.46 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.45 -151.59 14.07 Favored Glycine 0 N--CA 1.474 1.178 0 N-CA-C 111.473 -0.651 . . . . 65.22 111.473 173.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -174.7 162.32 3.3 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.659 1.183 . . . . 71.34 108.695 172.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.7 m -123.22 127.66 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 N-CA-C 107.653 -1.24 . . . . 74.32 107.653 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -119.06 128.6 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 107.754 -1.202 . . . . 72.4 107.754 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.62 123.75 25.42 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 109.554 -0.535 . . . . 73.22 109.554 -176.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.676 ' HZ3' ' HA ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -116.77 -33.29 4.85 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.787 0.835 . . . . 74.15 112.167 -172.558 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.23 176.65 48.13 Favored Glycine 0 C--N 1.347 1.15 0 C-N-CA 121.38 -0.438 . . . . 74.22 112.98 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -151.88 111.08 3.9 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.607 -1.257 . . . . 72.41 107.607 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -140.45 122.26 15.42 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.826 0.451 . . . . 64.22 110.337 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 64.97 20.13 12.03 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.781 1.232 . . . . 73.31 111.819 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.69 -3.06 57.39 Favored Glycine 0 C--N 1.344 1.005 0 CA-C-N 115.566 -0.743 . . . . 64.44 113.329 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.1 mm -96.07 109.85 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.139 0.576 . . . . 75.34 110.035 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.537 ' HB ' HG22 ' A' ' 88' ' ' VAL . 48.7 t -77.94 106.02 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.574 -0.899 . . . . 54.35 108.574 177.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -91.95 116.76 29.19 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.702 0.801 . . . . 74.21 110.04 -174.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -126.09 138.21 53.68 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.719 1.208 . . . . 73.31 110.438 -173.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -86.54 114.15 23.04 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.221 -1.029 . . . . 74.02 108.221 172.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.475 HD11 HD21 ' A' ' 70' ' ' LEU . 35.9 mt -93.53 137.98 32.26 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.238 -0.653 . . . . 74.32 109.238 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -96.38 167.6 11.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.787 0.835 . . . . 64.4 111.692 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.42 169.97 2.77 Favored Glycine 0 C--N 1.359 1.819 0 O-C-N 124.337 1.023 . . . . 62.41 115.212 -174.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.5 m 77.63 -58.79 0.47 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.796 1.638 . . . . 73.12 110.525 -173.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.673 ' SG ' HD22 ' A' ' 70' ' ' LEU . 39.1 t -68.41 -32.27 72.2 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.203 0.601 . . . . 72.11 110.885 176.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.413 ' HA ' HG12 ' A' ' 67' ' ' ILE . 64.8 p -82.16 -23.91 35.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.333 0.653 . . . . 65.11 111.79 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.9 m -64.66 -23.04 67.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.592 0.757 . . . . 73.33 111.428 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.1 m -115.8 114.33 41.92 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.058 0.943 . . . . 60.31 108.95 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.13 -34.8 88.83 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.032 2.488 . . . . 74.44 113.233 -174.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -70.27 -30.08 67.02 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.03 0.532 . . . . 75.44 111.148 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.0 m -71.28 -31.27 67.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.749 0.42 . . . . 70.33 111.456 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.413 HG12 ' HA ' ' A' ' 61' ' ' THR . 38.8 mt -63.7 -43.25 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 109.45 -0.574 . . . . 74.31 109.45 173.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.48 -56.41 17.88 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 C-N-CA 123.59 0.756 . . . . 72.44 110.56 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 m -59.49 -40.72 87.9 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.575 0.75 . . . . 72.24 111.217 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.673 HD22 ' SG ' ' A' ' 60' ' ' CYS . 60.5 tp -61.53 -61.91 2.19 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 123.768 0.667 . . . . 72.53 110.174 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -58.31 -42.07 85.89 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.422 1.076 . . . . 75.43 111.641 -174.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -65.93 -40.85 91.78 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.945 0.898 . . . . 75.21 111.483 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.05 -44.18 91.94 Favored Glycine 0 C--N 1.341 0.833 0 O-C-N 123.368 0.417 . . . . 65.54 112.184 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 70' ' ' LEU . 79.2 mt -58.02 -45.81 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.324 1.05 . . . . 74.45 109.662 174.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -59.93 -57.37 13.17 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 114.508 -1.224 . . . . 75.4 110.673 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -62.25 -33.11 73.97 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.994 0.809 . . . . 74.31 111.726 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.438 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 40.5 ttp -63.08 -53.72 49.28 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.128 0.571 . . . . 75.31 109.94 175.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.541 ' HB3' HG21 ' A' ' 85' ' ' VAL . 99.2 mt -66.99 -29.24 69.03 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.723 0.809 . . . . 72.54 111.292 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -71.72 -31.52 66.8 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.355 0.662 . . . . 73.13 110.86 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -64.78 -48.53 74.14 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.564 0.54 . . . . 74.3 110.339 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -79.71 -37.99 34.46 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.126 -0.943 . . . . 75.24 111.339 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.3 mt -127.1 112.78 21.71 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 123.84 0.856 . . . . 72.41 109.957 -165.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -72.94 -9.02 23.18 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 123.154 2.57 . . . . 73.35 112.915 177.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.53 -30.49 63.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.091 0.556 . . . . 74.41 110.839 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.541 HG21 ' HB3' ' A' ' 78' ' ' LEU . 97.7 t -73.73 99.12 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 123.716 0.806 . . . . 74.12 111.085 -175.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.16 -39.19 68.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.534 0.734 . . . . 74.35 110.548 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.31 -175.86 37.65 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.324 -0.853 . . . . 63.13 112.404 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.537 HG22 ' HB ' ' A' ' 52' ' ' VAL . 70.3 t -129.89 146.39 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.844 1.257 . . . . 74.42 107.887 174.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -135.99 141.46 44.4 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.215 0.606 . . . . 61.43 109.656 -177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -84.09 121.8 27.93 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 108.828 -0.805 . . . . 65.13 108.828 173.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 m -125.24 123.33 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.296 1.038 . . . . 73.34 109.526 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 10.6 ptm -89.51 85.61 6.56 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.213 0.53 . . . . 64.51 110.018 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.11 78.06 6.78 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 107.799 -1.186 . . . . 73.21 107.799 165.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -158.4 149.2 20.46 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 112.359 -2.201 . . . . 75.45 106.116 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.88 -18.97 35.67 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 111.699 0.259 . . . . 74.2 111.699 -170.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.4 t -163.97 112.35 1.17 Allowed 'General case' 0 C--O 1.242 0.672 0 C-N-CA 123.832 0.853 . . . . 73.52 108.755 172.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 CA--C 1.554 1.131 0 C-N-CA 123.007 0.523 . . . . 71.44 110.209 176.828 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mmm . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 110.244 -0.28 . . . . 74.14 110.244 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.42 -83.48 0.55 Allowed Glycine 0 C--N 1.35 1.311 0 O-C-N 123.636 0.585 . . . . 71.43 113.292 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -67.45 113.42 5.3 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.948 0.899 . . . . 72.53 111.565 -176.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -74.21 127.48 33.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.592 0.757 . . . . 73.03 109.177 175.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -158.47 115.28 2.8 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 123.731 0.812 . . . . 74.32 109.148 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -71.3 155.16 41.0 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.107 0.479 . . . . 74.4 110.676 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -78.03 144.25 36.79 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.694 -0.854 . . . . 74.54 108.694 172.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -59.33 120.42 9.25 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 109.201 -0.666 . . . . 55.33 109.201 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.1 m -54.08 104.04 0.1 Allowed 'General case' 0 C--N 1.353 0.749 0 C-N-CA 124.618 1.167 . . . . 75.11 112.639 -165.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -74.32 84.57 1.93 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.343 -0.844 . . . . 64.04 108.974 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.7 tpt -128.71 148.4 50.83 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.954 1.302 . . . . 74.1 108.971 -172.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.13 98.6 0.05 OUTLIER Glycine 0 C--N 1.355 1.62 0 O-C-N 123.893 0.746 . . . . 55.0 112.973 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.5 t -149.36 171.98 15.65 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.125 0.97 . . . . 64.44 110.64 -172.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -72.05 -28.49 63.38 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.069 0.948 . . . . 64.34 109.62 173.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -69.07 -30.38 68.7 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.427 1.091 . . . . 74.44 111.221 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -71.2 155.55 40.6 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.871 -1.059 . . . . 73.3 111.542 -170.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.41 3.94 14.42 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.099 0.959 . . . . 75.23 112.158 -178.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.44 -35.27 90.78 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 112.181 -0.368 . . . . 53.33 112.181 168.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 23' ' ' ILE . 98.8 t -62.5 -50.0 81.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.588 0.755 . . . . 75.22 109.637 171.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.7 -34.05 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 C-N-CA 123.937 0.895 . . . . 72.35 111.022 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.47 -45.46 68.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.057 0.943 . . . . 73.12 111.605 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.3 ptm -72.8 -23.87 60.84 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 119.514 -0.279 . . . . 74.11 110.959 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 19' ' ' VAL . 88.6 mt -67.32 -45.51 85.82 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 N-CA-C 109.054 -0.721 . . . . 75.22 109.054 169.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -54.45 -42.33 70.47 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.194 0.598 . . . . 74.34 110.912 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.84 -52.25 52.05 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 124.066 0.854 . . . . 72.41 111.063 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.1 -36.68 77.97 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.579 0.752 . . . . 73.44 111.281 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.4 -49.64 58.62 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.801 -0.444 . . . . 74.33 109.801 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 26.7 t70 -66.47 -33.95 76.84 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.536 0.734 . . . . 61.41 112.665 -169.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.4 p -87.95 -46.93 8.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.081 0.552 . . . . 72.0 111.652 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -89.15 -54.0 4.31 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.24 0.616 . . . . 75.34 111.955 -169.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.9 mm -88.79 -57.04 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 115.939 -0.573 . . . . 74.24 111.216 -165.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 73.9 mtp180 -51.15 -55.48 27.98 Favored Pre-proline 0 N--CA 1.481 1.121 0 CA-C-O 117.416 -1.278 . . . . 74.41 112.914 -172.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.47 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 32.6 Cg_exo -59.77 -37.85 84.29 Favored 'Trans proline' 0 C--N 1.395 2.979 0 C-N-CA 122.328 2.019 . . . . 72.13 111.927 -175.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.2 m -60.86 -47.82 84.64 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.025 0.93 . . . . 75.11 110.743 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.648 HG12 ' SG ' ' A' ' 60' ' ' CYS . 40.4 t -72.38 -30.28 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 115.677 -0.692 . . . . 54.3 110.365 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 74.0 mt-30 -67.44 -38.87 85.18 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.638 0.775 . . . . 65.33 111.233 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 33' ' ' PRO . 45.5 mt-10 -71.19 -33.04 69.58 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.356 0.41 . . . . 64.53 109.914 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.76 -21.03 63.47 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.507 -0.77 . . . . 73.2 110.79 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.03 -13.13 11.38 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-O 120.092 -0.282 . . . . 74.42 113.281 172.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -103.66 -145.76 15.42 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-O 120.064 -0.298 . . . . 73.35 113.124 177.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t0 179.3 159.88 0.69 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.573 1.549 . . . . 75.15 108.385 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.6 m -123.05 120.86 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 108.521 -0.918 . . . . 73.12 108.521 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.453 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.4 mp -113.08 121.17 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 108.321 -0.992 . . . . 74.44 108.321 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.444 ' OH ' ' HB2' ' A' ' 47' ' ' PHE . 1.6 t80 -71.7 112.87 8.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.232 0.613 . . . . 75.41 109.642 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -97.73 -44.6 6.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.713 0.805 . . . . 73.12 111.967 -174.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.66 167.76 37.95 Favored Glycine 0 C--N 1.348 1.224 0 C-N-CA 120.572 -0.823 . . . . 73.13 114.802 -175.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.444 ' HB2' ' OH ' ' A' ' 44' ' ' TYR . 39.8 t80 -146.1 113.62 6.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.711 1.204 . . . . 74.1 108.067 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -146.96 124.0 11.41 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.248 0.619 . . . . 63.31 109.772 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 66.91 19.03 10.66 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.989 1.315 . . . . 62.33 111.938 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.58 -0.48 70.8 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 116.682 -0.235 . . . . 74.02 113.078 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.1 mm -92.93 112.13 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.6 0.76 . . . . 75.23 109.471 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.499 ' HB ' HG23 ' A' ' 88' ' ' VAL . 58.0 t -88.67 100.56 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.468 1.107 . . . . 74.1 109.077 -178.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.63 115.7 20.28 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.164 0.586 . . . . 75.44 109.457 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -120.3 141.02 50.39 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.126 0.97 . . . . 72.25 111.248 -176.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.611 ' HD2' ' HB3' ' A' ' 93' ' ' ASP . 79.0 tttt -90.89 108.14 19.65 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.706 1.202 . . . . 75.41 109.258 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.9 mt -91.56 132.12 36.52 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.174 -0.676 . . . . 74.21 109.174 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.577 ' NE2' ' HE2' ' A' ' 55' ' ' LYS . 76.9 mm-40 -95.27 175.37 6.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.214 0.606 . . . . 72.43 110.543 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.99 169.06 1.88 Allowed Glycine 0 C--N 1.353 1.498 0 O-C-N 124.04 0.837 . . . . 75.43 114.513 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.3 t 75.75 -52.43 0.63 Allowed 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.513 1.525 . . . . 72.54 110.4 -169.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.648 ' SG ' HG12 ' A' ' 35' ' ' VAL . 83.8 m -82.25 -50.13 9.32 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.319 0.647 . . . . 70.21 111.275 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 t -76.56 -13.33 60.09 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.735 0.414 . . . . 63.03 111.628 -175.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m -69.69 -22.33 63.42 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.912 0.885 . . . . 64.52 112.218 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 75.4 m -128.19 122.13 21.94 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 123.498 0.719 . . . . 75.31 109.216 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.533 ' HA ' HD13 ' A' ' 67' ' ' ILE . 28.6 Cg_endo -60.15 -23.54 74.01 Favored 'Trans proline' 0 C--N 1.383 2.365 0 C-N-CA 123.513 2.809 . . . . 71.35 112.777 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.2 p -62.31 -51.58 67.1 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.783 0.833 . . . . 63.35 110.105 172.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.5 m -70.94 -27.31 63.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.651 0.781 . . . . 64.3 111.75 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 64' ' ' PRO . 87.2 mt -61.53 -51.58 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.097 0.559 . . . . 74.04 109.983 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.54 -46.18 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 123.863 0.727 . . . . 61.34 110.63 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.4 m -63.18 -44.79 94.41 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.211 0.604 . . . . 74.23 111.494 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.0 tp -65.22 -46.56 80.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.814 0.445 . . . . 74.44 109.944 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -57.43 -43.76 84.14 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.125 0.97 . . . . 71.33 111.314 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -67.53 -42.73 82.25 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.397 1.079 . . . . 74.52 110.993 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.82 -47.52 89.7 Favored Glycine 0 C--N 1.344 1.004 0 O-C-N 123.658 0.599 . . . . 74.51 112.043 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.95 -40.72 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.871 0.869 . . . . 73.11 110.188 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -59.2 -56.83 17.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.613 0.765 . . . . 73.25 110.164 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -64.16 -30.93 71.96 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.629 0.581 . . . . 72.41 111.501 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -67.01 -48.81 67.27 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.678 0.391 . . . . 74.53 110.695 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.51 ' HB3' HG22 ' A' ' 85' ' ' VAL . 90.7 mt -66.59 -35.49 80.33 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.635 0.774 . . . . 71.41 111.198 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -73.01 -28.61 62.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.501 0.72 . . . . 74.31 111.157 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -64.13 -45.17 89.76 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.832 0.853 . . . . 74.24 110.465 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -90.73 -34.46 15.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.69 -0.686 . . . . 74.54 111.462 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.1 mt -125.11 107.24 28.01 Favored Pre-proline 0 N--CA 1.482 1.167 0 C-N-CA 123.689 0.796 . . . . 70.34 109.912 -172.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.09 -11.61 30.73 Favored 'Trans proline' 0 C--N 1.369 1.634 0 C-N-CA 122.961 2.441 . . . . 70.33 113.071 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -70.21 -26.66 63.97 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.676 0.79 . . . . 65.34 112.046 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.51 HG22 ' HB3' ' A' ' 78' ' ' LEU . 85.7 t -73.57 120.6 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 123.188 0.595 . . . . 73.21 110.201 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -94.9 -31.99 13.43 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.192 0.997 . . . . 75.43 110.929 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.96 -178.22 41.37 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-N 116.325 -0.398 . . . . 60.13 113.289 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.499 HG23 ' HB ' ' A' ' 52' ' ' VAL . 63.1 t -131.26 134.68 60.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 124.941 1.296 . . . . 73.43 108.11 175.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -114.41 142.75 45.95 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.639 0.776 . . . . 75.23 109.628 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -85.71 125.13 32.97 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.577 -0.527 . . . . 75.42 109.577 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 11.6 m -131.13 109.4 16.35 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 N-CA-C 108.547 -0.909 . . . . 71.53 108.547 172.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 71.1 mtm -91.64 91.14 7.88 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.645 -0.659 . . . . 75.32 110.911 -174.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.611 ' HB3' ' HD2' ' A' ' 55' ' ' LYS . 10.9 t70 -81.48 71.92 8.51 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 122.087 0.946 . . . . 71.03 109.866 174.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -149.8 119.63 7.09 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 107.62 -1.252 . . . . 63.14 107.62 177.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 50.04 25.74 1.81 Allowed 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 126.066 1.747 . . . . 71.43 112.551 -171.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.0 t -127.93 0.96 5.97 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.33 0.652 . . . . 73.01 111.872 -171.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 C--O 1.253 1.26 0 CA-C-O 119.251 -0.405 . . . . 75.41 110.107 179.236 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.7 mpp? . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 108.865 -0.791 . . . . 73.41 108.865 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.34 -112.59 0.13 Allowed Glycine 0 C--N 1.344 1.015 0 N-CA-C 111.042 -0.823 . . . . 63.31 111.042 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -74.12 134.25 42.86 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 108.86 -0.793 . . . . 75.45 108.86 174.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -55.93 -53.47 56.48 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.021 0.528 . . . . 74.53 111.261 -173.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -85.0 84.06 7.85 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 106.961 -1.496 . . . . 74.5 106.961 168.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -57.71 161.3 3.8 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.293 1.437 . . . . 74.23 112.653 -172.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -63.8 87.79 0.04 OUTLIER 'General case' 0 C--N 1.36 1.046 0 CA-C-O 121.661 0.743 . . . . 74.11 109.639 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -101.89 -74.14 0.63 Allowed 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.017 -1.447 . . . . 72.43 108.788 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.4 p 178.51 135.66 0.08 Allowed 'General case' 0 C--N 1.349 0.559 0 C-N-CA 124.757 1.223 . . . . 73.12 108.937 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -109.78 132.81 53.81 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.179 -1.045 . . . . 75.35 108.179 170.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.3 mpp? 65.03 -71.49 0.08 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.695 1.598 . . . . 61.12 109.63 -170.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.98 155.02 7.76 Favored Glycine 0 C--N 1.346 1.132 0 N-CA-C 110.703 -0.959 . . . . 72.15 110.703 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 p -71.6 -49.29 41.73 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.152 0.581 . . . . 72.35 109.466 170.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -161.29 155.65 22.89 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 124.411 1.084 . . . . 74.41 109.028 173.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -78.32 175.99 9.73 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.634 0.374 . . . . 72.4 110.684 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 54.55 47.92 21.61 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.984 0.897 . . . . 74.31 108.714 -162.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -70.59 -0.95 9.64 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 114.152 -1.385 . . . . 73.23 111.391 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.46 -36.88 86.48 Favored Glycine 0 C--N 1.351 1.383 0 C-N-CA 123.292 0.473 . . . . 74.21 113.217 168.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG13 HD13 ' A' ' 82' ' ' ILE . 76.0 t -60.56 -52.46 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.362 0.665 . . . . 64.51 109.518 171.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.527 HG11 ' HE3' ' A' ' 24' ' ' LYS . 88.1 t -60.54 -34.6 58.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 124.645 1.178 . . . . 74.35 110.755 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.52 -42.08 59.5 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.964 0.906 . . . . 72.31 110.818 -176.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.514 ' HG3' HD12 ' A' ' 82' ' ' ILE . 24.3 ptp -71.27 -31.22 67.23 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.21 -0.45 . . . . 74.55 110.004 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 19' ' ' VAL . 96.1 mt -58.35 -50.27 79.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 109.105 -0.702 . . . . 71.21 109.105 171.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.527 ' HE3' HG11 ' A' ' 20' ' ' VAL . 96.8 mttt -54.69 -41.45 70.26 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.951 0.782 . . . . 74.35 112.718 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -74.4 -43.29 57.03 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 109.737 -0.468 . . . . 72.52 109.737 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.14 -33.46 75.5 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.838 0.855 . . . . 75.11 110.913 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 95.6 mt -65.37 -56.13 14.29 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 109.314 -0.624 . . . . 74.51 109.314 171.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.99 -32.27 73.92 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 116.15 -0.477 . . . . 73.52 112.269 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.2 p -90.33 -43.51 10.29 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.731 0.812 . . . . 64.15 111.88 -174.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -99.09 -54.1 3.07 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.484 0.179 . . . . 75.04 111.484 -175.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.429 ' O ' HG21 ' A' ' 35' ' ' VAL . 50.7 mm -76.24 -62.85 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 118.744 -0.646 . . . . 73.04 111.267 -167.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -44.45 -51.72 19.46 Favored Pre-proline 0 N--CA 1.486 1.369 0 CA-C-O 116.931 -1.509 . . . . 73.01 113.171 -177.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.519 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 69.4 Cg_exo -51.32 -49.29 17.6 Favored 'Trans proline' 0 C--N 1.404 3.457 0 C-N-CA 122.509 2.14 . . . . 71.41 112.299 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.0 m -60.14 -44.25 95.1 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.218 1.007 . . . . 75.22 111.721 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 31' ' ' ILE . 17.4 t -69.77 -32.57 52.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 115.735 -0.666 . . . . 74.22 110.456 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -76.32 -18.87 58.72 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.754 0.822 . . . . 73.43 111.112 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 6.3 mm-40 -68.8 -34.59 75.78 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.286 -0.635 . . . . 65.12 109.286 169.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -79.58 -23.11 42.97 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.286 -0.87 . . . . 74.31 110.645 174.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.84 -10.6 34.75 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 119.96 -0.356 . . . . 55.02 112.596 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.15 -162.15 37.33 Favored Glycine 0 C--N 1.348 1.196 0 N-CA-C 111.789 -0.525 . . . . 62.22 111.789 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -166.85 162.81 16.15 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.246 0.618 . . . . 74.14 109.548 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 m -128.34 130.78 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.866 0.866 . . . . 75.32 109.488 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.541 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -115.28 129.09 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 107.69 -1.226 . . . . 71.34 107.69 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' OH ' HG13 ' A' ' 20' ' ' VAL . 74.5 t80 -72.18 128.2 34.94 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.821 -0.437 . . . . 64.15 109.821 176.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.559 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 9.7 mmpt? -113.14 -46.38 3.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.543 0.737 . . . . 73.41 111.323 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.44 -174.26 41.07 Favored Glycine 0 C--N 1.342 0.888 0 C-N-CA 120.266 -0.969 . . . . 72.15 113.965 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -155.93 109.89 2.79 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 106.345 -1.724 . . . . 73.45 106.345 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -138.0 123.71 19.86 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.077 -0.712 . . . . 74.03 109.077 -174.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 60.83 30.72 19.84 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.677 1.191 . . . . 62.45 111.107 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.1 2.86 85.6 Favored Glycine 0 C--N 1.347 1.194 0 CA-C-N 115.868 -0.606 . . . . 75.41 113.796 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.2 mm -104.36 116.81 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.324 0.65 . . . . 72.44 110.062 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.58 ' HB ' HG23 ' A' ' 88' ' ' VAL . 46.1 t -82.42 111.89 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 123.566 0.746 . . . . 64.11 109.6 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -87.15 120.81 28.82 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.143 0.577 . . . . 72.03 109.453 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.6 mt -126.77 136.72 52.78 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.25 0.62 . . . . 73.22 110.753 -177.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.541 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 79.5 tttt -87.25 110.26 20.06 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.437 -0.949 . . . . 72.3 108.437 172.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.6 mt -90.73 146.45 23.98 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.646 -0.872 . . . . 65.0 108.646 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -95.38 176.59 6.14 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.268 0.627 . . . . 73.24 111.104 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.41 166.41 20.88 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.42 -0.655 . . . . 52.23 112.116 172.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.5 t 76.31 -55.84 0.58 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.302 1.441 . . . . 61.35 110.318 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.528 ' HB2' HD22 ' A' ' 70' ' ' LEU . 27.8 p -74.66 -5.29 42.24 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 112.593 0.59 . . . . 74.43 112.593 177.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.491 ' HA ' HG12 ' A' ' 67' ' ' ILE . 21.6 p -109.52 8.58 25.22 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.767 0.827 . . . . 70.01 111.862 175.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -69.73 103.77 2.24 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 119.278 -0.392 . . . . 62.24 110.986 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 73.6 m 74.72 145.84 0.11 Allowed Pre-proline 0 N--CA 1.488 1.464 0 C-N-CA 125.206 1.403 . . . . 74.24 111.317 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -58.54 -41.29 66.12 Favored 'Trans proline' 0 C--N 1.384 2.423 0 C-N-CA 123.08 2.52 . . . . 72.15 112.799 -173.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -54.93 -40.23 69.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.689 0.796 . . . . 74.14 112.109 -177.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.5 m -67.8 -40.4 83.9 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 123.544 0.527 . . . . 65.24 111.268 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.491 HG12 ' HA ' ' A' ' 61' ' ' THR . 45.7 mt -64.44 -41.33 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 122.977 0.511 . . . . 71.23 110.202 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.13 -49.99 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.882 0.873 . . . . 75.24 109.985 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.0 m -62.63 -40.32 96.6 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.542 0.737 . . . . 62.13 111.261 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.528 HD22 ' HB2' ' A' ' 60' ' ' CYS . 62.2 tp -66.31 -58.71 4.75 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.494 0.497 . . . . 73.12 109.964 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -56.14 -40.21 73.46 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.626 1.17 . . . . 71.54 111.52 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -73.71 -34.51 64.85 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.366 0.666 . . . . 73.34 111.732 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.01 -45.88 94.68 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 111.184 -0.766 . . . . 74.34 111.184 174.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 70' ' ' LEU . 71.4 mt -63.7 -43.53 98.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.827 0.851 . . . . 74.02 109.918 176.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -58.68 -57.8 11.41 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.265 0.978 . . . . 65.23 110.554 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -63.97 -30.53 71.6 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.479 0.711 . . . . 75.33 111.585 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -67.12 -46.56 73.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 109.973 -0.38 . . . . 75.35 109.973 174.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.49 HD11 HG23 ' A' ' 52' ' ' VAL . 89.7 mt -68.9 -26.82 65.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.621 0.769 . . . . 72.44 111.671 178.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.4 mt-30 -80.52 -26.27 38.22 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.621 0.768 . . . . 71.41 110.467 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -66.86 -33.83 76.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.17 0.988 . . . . 75.55 110.482 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -94.95 -40.07 9.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.21 0.604 . . . . 73.2 111.324 177.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.514 HD12 ' HG3' ' A' ' 22' ' ' MET . 37.6 mt -127.04 115.14 21.93 Favored Pre-proline 0 N--CA 1.483 1.21 0 C-N-CA 123.345 0.658 . . . . 74.11 110.384 -170.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.85 -8.75 20.54 Favored 'Trans proline' 0 C--N 1.374 1.89 0 C-N-CA 122.764 2.309 . . . . 72.1 112.613 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -76.86 -25.24 52.9 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.096 0.558 . . . . 71.55 111.32 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.435 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 84.6 t -72.03 97.78 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 N-CA-C 109.552 -0.536 . . . . 74.04 109.552 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -73.39 -28.86 62.24 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.517 0.727 . . . . 71.42 111.108 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -173.19 -177.2 42.26 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 121.514 -0.374 . . . . 73.01 113.489 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.58 HG23 ' HB ' ' A' ' 52' ' ' VAL . 77.8 t -132.52 139.73 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.991 1.317 . . . . 73.22 107.615 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -124.84 146.69 49.15 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 122.87 0.468 . . . . 70.54 110.297 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -84.75 127.21 34.0 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.482 -0.781 . . . . 75.31 109.016 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 24.0 m -131.62 163.81 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.151 0.981 . . . . 73.34 108.553 170.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 76.7 mtp -129.99 140.5 50.88 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 108.37 -0.974 . . . . 75.4 108.37 174.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.65 148.08 31.7 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.471 0.708 . . . . 73.24 111.101 -168.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -176.88 -82.03 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 106.794 -1.558 . . . . 52.42 106.794 171.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -103.3 -26.24 13.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.849 0.86 . . . . 71.35 109.254 163.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -70.45 109.81 5.0 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.314 -0.857 . . . . 74.21 110.332 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.55 0.951 0 O-C-N 123.823 0.702 . . . . 65.2 110.028 -177.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.524 -0.176 . . . . 74.34 110.524 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.92 35.71 4.16 Favored Glycine 0 C--N 1.352 1.421 0 N-CA-C 114.225 0.45 . . . . 54.21 114.225 -170.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -126.37 82.18 2.06 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.065 0.946 . . . . 73.14 108.788 171.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -79.4 89.96 5.01 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.77 -0.65 . . . . 63.15 110.693 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -64.52 104.88 0.85 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.976 -1.011 . . . . 75.03 111.097 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 72.08 -61.57 0.49 Allowed 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 126.033 1.733 . . . . 72.02 111.492 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -44.01 116.39 0.99 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 125.558 1.543 . . . . 74.12 111.699 173.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -96.38 114.25 25.91 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.14 -1.059 . . . . 73.33 108.14 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.8 p -69.55 94.98 0.8 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.48 0.712 . . . . 74.32 111.075 -174.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -140.5 69.11 1.35 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.479 0.712 . . . . 70.44 110.785 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 73.1 mtm -77.97 157.7 29.6 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.987 -0.552 . . . . 74.43 110.13 175.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.21 59.09 4.82 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 116.361 -0.381 . . . . 74.4 112.526 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.516 ' HB3' ' HB2' ' A' ' 16' ' ' ASP . 64.7 m -152.55 109.81 3.54 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.11 0.964 . . . . 64.51 109.476 -174.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.12 -47.75 48.86 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.802 -0.814 . . . . 45.3 108.802 171.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -158.25 79.26 0.82 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.329 -1.305 . . . . 71.31 109.065 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.516 ' HB2' ' HB3' ' A' ' 13' ' ' SER . 30.2 t70 -69.9 161.7 29.44 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.073 -0.967 . . . . 52.01 111.342 -175.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -70.77 -3.9 21.13 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.945 0.898 . . . . 74.5 111.753 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.11 -35.44 92.08 Favored Glycine 0 C--N 1.349 1.301 0 N-CA-C 112.039 -0.424 . . . . 73.1 112.039 169.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.458 HG13 HG21 ' A' ' 82' ' ' ILE . 76.6 t -56.26 -54.61 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.725 0.81 . . . . 75.34 109.494 170.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -55.88 -42.42 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.358 1.463 . . . . 74.54 111.693 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.48 80.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.262 1.025 . . . . 73.41 111.3 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.4 ptm -76.99 -23.02 52.28 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 118.99 -0.528 . . . . 73.33 111.723 -177.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 19' ' ' VAL . 87.0 mt -62.95 -49.43 83.6 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 N-CA-C 108.31 -0.996 . . . . 72.53 108.31 171.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -52.29 -43.43 64.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.647 0.779 . . . . 75.41 111.553 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.91 -51.87 62.52 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.756 0.66 . . . . 74.44 110.295 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.445 ' HB3' ' HE1' ' A' ' 77' ' ' MET . 91.1 mt -59.56 -32.58 70.48 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.827 0.851 . . . . 73.14 111.424 -178.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 92.6 mt -71.28 -56.52 5.87 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.114 -0.699 . . . . 73.52 109.114 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 24.7 t70 -61.66 -29.57 70.16 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.389 1.076 . . . . 75.42 112.727 -169.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.8 p -100.21 -24.9 14.44 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 112.687 0.625 . . . . 64.45 112.687 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -118.0 -57.03 2.13 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 122.581 0.353 . . . . 75.24 111.55 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 35' ' ' VAL . 43.5 mm -77.99 -60.13 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.142 0.577 . . . . 61.03 111.086 -169.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 75.6 mtp180 -47.98 -51.77 45.25 Favored Pre-proline 0 CA--C 1.561 1.392 0 CA-C-O 116.874 -1.536 . . . . 75.44 112.125 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -54.63 -38.9 90.85 Favored 'Trans proline' 0 C--N 1.405 3.533 0 C-N-CA 122.557 2.171 . . . . 64.23 113.074 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.8 m -63.77 -46.39 85.47 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.311 0.644 . . . . 73.41 110.861 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 HG11 ' A' ' 42' ' ' VAL . 6.0 t -70.03 -32.23 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 115.581 -0.736 . . . . 71.11 110.563 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -73.47 -31.17 63.62 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.363 0.665 . . . . 75.32 110.716 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -69.41 -33.52 73.12 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 122.741 0.416 . . . . 64.02 110.226 171.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.76 -23.19 61.56 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.502 0.721 . . . . 73.34 110.894 173.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.09 -27.15 6.51 Favored Glycine 0 C--N 1.342 0.903 0 N-CA-C 112.504 -0.238 . . . . 75.43 112.504 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.73 -148.24 20.54 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-O 120.085 -0.286 . . . . 73.1 113.187 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -174.39 159.17 3.0 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.51 1.124 . . . . 72.52 108.717 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.459 HG11 HG21 ' A' ' 35' ' ' VAL . 26.9 m -122.65 125.98 73.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 108.591 -0.892 . . . . 71.41 108.591 176.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.581 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.4 mp -110.93 125.78 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 N-CA-C 107.41 -1.33 . . . . 75.21 107.41 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -67.05 109.07 2.85 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.88 -0.415 . . . . 74.44 109.88 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.441 ' HD2' ' HB2' ' A' ' 55' ' ' LYS . 8.9 mmpt? -88.49 -50.4 6.32 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.653 0.781 . . . . 73.44 110.335 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.81 -171.41 41.21 Favored Glycine 0 C--N 1.345 1.062 0 C-N-CA 120.625 -0.797 . . . . 73.04 114.068 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -147.05 111.9 5.37 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 106.981 -1.488 . . . . 74.12 106.981 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -132.78 114.64 14.36 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.287 0.635 . . . . 74.03 109.591 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 61.3 38.69 16.24 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.493 1.117 . . . . 75.42 111.317 171.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.45 -3.84 82.06 Favored Glycine 0 C--N 1.345 1.071 0 CA-C-N 115.513 -0.767 . . . . 71.5 114.045 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.5 mm -102.96 114.21 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.397 0.679 . . . . 64.51 110.822 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.555 ' HB ' HG21 ' A' ' 88' ' ' VAL . 44.3 t -81.91 108.36 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.546 -0.909 . . . . 72.13 108.546 176.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -96.94 125.82 41.64 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.078 0.551 . . . . 74.41 109.592 -175.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.5 mt -129.47 147.55 51.3 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.586 0.754 . . . . 74.25 110.914 -173.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.581 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 85.7 tttt -88.64 110.37 20.88 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.293 1.037 . . . . 71.31 109.266 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.9 mt -87.02 135.79 33.15 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 109.35 -0.611 . . . . 73.01 109.35 177.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.444 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 82.0 mm-40 -95.53 174.97 6.74 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.705 0.802 . . . . 65.24 110.576 177.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.75 157.37 5.51 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 119.368 -0.684 . . . . 64.34 112.824 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.5 t 77.78 -66.92 0.21 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.329 1.451 . . . . 74.04 109.544 -167.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 57' ' ' GLN . 29.7 p -68.9 -22.29 64.18 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.28 0.474 . . . . 64.35 112.28 -175.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.451 ' HA ' HG12 ' A' ' 67' ' ' ILE . 12.2 t -105.23 3.26 29.89 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.895 0.478 . . . . 74.31 111.926 176.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.9 t -71.84 -58.57 3.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.085 0.554 . . . . 73.22 111.166 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 74.8 m -94.2 139.01 22.36 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.066 0.546 . . . . 73.3 110.466 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -60.23 -37.33 83.75 Favored 'Trans proline' 0 C--N 1.383 2.347 0 C-N-CA 123.515 2.81 . . . . 75.54 112.987 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -68.18 -35.41 77.98 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.103 0.561 . . . . 74.41 110.504 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.3 m -63.3 -42.35 99.05 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.195 0.598 . . . . 54.34 111.219 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.451 HG12 ' HA ' ' A' ' 61' ' ' THR . 84.9 mt -58.22 -52.37 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.269 1.028 . . . . 74.25 111.135 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.76 -42.01 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 O-C-N 123.609 0.568 . . . . 73.32 111.144 -174.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 84.8 m -57.17 -45.15 83.91 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.41 0.684 . . . . 73.23 110.81 176.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.424 ' O ' HG13 ' A' ' 74' ' ' ILE . 43.2 tp -64.42 -53.25 51.34 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.434 -0.803 . . . . 72.23 110.076 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -55.44 -40.46 71.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.902 1.281 . . . . 74.24 111.693 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -69.63 -44.71 70.1 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.145 0.978 . . . . 74.25 111.103 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.28 -46.8 93.71 Favored Glycine 0 CA--C 1.533 1.173 0 O-C-N 123.185 0.303 . . . . 72.3 112.644 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 70' ' ' LEU . 60.3 mt -60.56 -44.55 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.215 1.006 . . . . 75.14 109.681 175.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.407 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 8.5 tt0 -55.41 -61.6 2.23 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.408 1.083 . . . . 74.53 111.283 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -60.94 -36.43 79.33 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 123.884 0.74 . . . . 61.33 112.179 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.445 ' HE1' ' HB3' ' A' ' 26' ' ' LEU . 16.0 tmm? -64.36 -50.49 67.51 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.618 0.367 . . . . 75.15 110.219 178.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.537 ' HB3' HG23 ' A' ' 85' ' ' VAL . 86.7 mt -61.78 -39.64 92.4 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.45 0.7 . . . . 73.12 111.176 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.5 mt-30 -65.6 -34.45 78.26 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.799 0.84 . . . . 73.31 111.392 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.5 -30.72 71.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.88 0.872 . . . . 74.52 111.092 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -102.65 -27.02 12.98 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.295 0.638 . . . . 74.54 111.868 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.458 HG21 HG13 ' A' ' 19' ' ' VAL . 61.9 mt -135.89 114.29 10.95 Favored Pre-proline 0 N--CA 1.488 1.444 0 C-N-CA 123.958 0.903 . . . . 75.45 110.478 -168.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -76.81 -9.55 18.26 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.813 2.342 . . . . 73.13 113.469 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -72.38 -27.62 62.49 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.726 0.411 . . . . 72.03 111.06 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 78' ' ' LEU . 94.0 t -74.18 101.52 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 108.865 -0.791 . . . . 71.15 108.865 177.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -84.81 -24.07 28.84 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.901 -1.045 . . . . 62.53 110.15 174.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -178.55 -178.52 47.96 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 116.275 -0.42 . . . . 72.33 112.745 176.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.555 HG21 ' HB ' ' A' ' 52' ' ' VAL . 76.6 t -126.98 152.45 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.278 1.431 . . . . 74.32 108.029 174.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -143.73 147.7 34.6 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.071 0.548 . . . . 73.25 110.21 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -85.05 131.73 34.42 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.914 0.886 . . . . 72.24 110.396 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 4.7 m -132.62 143.66 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 106.741 -1.577 . . . . 61.31 106.741 164.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 73.9 mtm -129.34 124.5 34.45 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.05 0.54 . . . . 72.21 109.651 -176.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.4 ' HB2' ' HE3' ' A' ' 55' ' ' LYS . 4.8 m-20 -83.58 68.63 9.88 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.671 0.748 . . . . 72.25 109.839 174.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -104.67 -71.93 0.72 Allowed 'General case' 0 C--O 1.24 0.586 0 N-CA-C 106.457 -1.682 . . . . 54.51 106.457 169.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 47.59 31.3 2.0 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 125.643 1.577 . . . . 75.14 112.43 172.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.0 t -101.72 46.0 0.95 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.378 1.071 . . . . 55.32 109.564 -172.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 CA--C 1.552 1.033 0 CA-C-N 115.409 -0.814 . . . . 74.1 110.561 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.433 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 5.9 p-10 . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 119.721 -0.18 . . . . 74.15 111.274 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.18 -50.91 57.22 Favored Glycine 0 C--N 1.353 1.522 0 N-CA-C 111.676 -0.57 . . . . 75.2 111.676 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.442 HG13 HG21 ' A' ' 82' ' ' ILE . 41.0 t -63.92 -51.56 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.519 0.728 . . . . 75.21 110.129 174.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.433 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 53.2 t -53.13 -46.15 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.494 1.118 . . . . 74.21 112.02 -176.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.55 81.89 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.668 0.787 . . . . 51.32 111.851 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.516 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.2 ptm -74.96 -23.07 58.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 119.295 -0.383 . . . . 73.14 110.956 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 19' ' ' VAL . 82.2 mt -66.53 -44.93 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 108.972 -0.751 . . . . 52.51 108.972 170.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -52.59 -43.39 65.28 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.957 0.785 . . . . 75.21 111.965 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.74 -40.35 55.63 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-O 119.127 -0.464 . . . . 71.11 109.878 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.89 -29.59 68.43 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.709 0.804 . . . . 71.13 111.15 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.88 -57.09 4.05 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.224 -0.658 . . . . 73.32 109.224 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -59.94 -32.43 70.78 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.645 0.778 . . . . 71.43 113.068 -169.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.7 p -90.53 -46.96 7.99 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.769 0.827 . . . . 73.14 111.416 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -98.97 -47.38 5.27 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.08 0.552 . . . . 73.41 112.388 -168.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.437 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.5 mm -88.27 -63.75 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.06 0.544 . . . . 72.05 111.773 -170.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 55.9 mtp180 -43.61 -53.41 12.17 Favored Pre-proline 0 N--CA 1.492 1.658 0 CA-C-O 117.584 -1.198 . . . . 64.33 113.242 -175.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 71.3 Cg_exo -52.1 -46.62 31.38 Favored 'Trans proline' 0 C--N 1.398 3.156 0 C-N-CA 122.337 2.025 . . . . 54.33 113.23 177.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.9 m -60.77 -47.68 85.24 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.89 0.876 . . . . 73.22 111.049 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.651 HG13 ' SG ' ' A' ' 60' ' ' CYS . 15.0 t -65.38 -38.85 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 115.489 -0.778 . . . . 74.13 110.441 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -68.28 -32.25 72.27 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.707 0.803 . . . . 73.01 111.642 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 32.8 mm-40 -65.92 -31.72 72.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.894 0.478 . . . . 73.52 110.797 174.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -80.74 -22.28 40.37 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.409 -0.36 . . . . 74.22 110.998 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.37 36.36 2.49 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 116.061 -0.518 . . . . 73.34 112.342 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.19 -153.29 6.08 Favored Glycine 0 C--N 1.339 0.697 0 N-CA-C 111.238 -0.745 . . . . 72.25 111.238 174.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.407 ' N ' ' HB2' ' A' ' 57' ' ' GLN . 30.0 t0 -175.55 163.45 2.94 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.339 1.056 . . . . 75.01 109.366 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.9 122.34 68.35 Favored 'Isoleucine or valine' 0 C--O 1.246 0.904 0 N-CA-C 108.511 -0.922 . . . . 65.43 108.511 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.464 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 2.3 mp -104.02 119.43 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 107.864 -1.161 . . . . 74.43 107.864 178.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -68.6 108.64 3.42 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 123.616 0.572 . . . . 74.3 110.479 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.525 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 10.6 mmpt? -88.48 -36.15 16.62 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.738 0.815 . . . . 74.41 110.69 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.21 -171.61 39.8 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 121.589 -0.339 . . . . 61.24 113.706 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -140.89 110.83 6.53 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 106.373 -1.714 . . . . 71.42 106.373 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.77 123.29 13.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.247 -0.649 . . . . 75.44 109.247 -171.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 t70 65.26 23.92 12.2 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.961 1.304 . . . . 74.2 111.484 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.23 6.43 81.47 Favored Glycine 0 C--N 1.347 1.16 0 CA-C-N 115.716 -0.675 . . . . 55.11 113.246 -176.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.0 mm -106.2 113.62 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 123.475 0.71 . . . . 54.2 109.549 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.578 ' HB ' HG22 ' A' ' 88' ' ' VAL . 36.5 t -79.96 105.42 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.563 -0.902 . . . . 75.14 108.563 174.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -87.66 121.66 30.37 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 108.88 -0.785 . . . . 74.42 108.88 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.7 mt -130.74 137.82 49.67 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.319 1.048 . . . . 73.42 110.075 -176.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 87.0 tttt -90.23 122.52 33.24 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.717 -0.846 . . . . 71.21 108.717 171.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.4 mt -96.34 138.03 34.53 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.686 -0.487 . . . . 73.12 109.686 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.407 ' HB2' ' N ' ' A' ' 41' ' ' ASP . 83.8 mm-40 -96.5 175.73 6.3 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.926 0.891 . . . . 73.11 110.408 175.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.426 ' HA2' HG22 ' A' ' 61' ' ' THR . . . -55.24 171.88 1.33 Allowed Glycine 0 C--N 1.351 1.367 0 N-CA-C 116.255 1.262 . . . . 70.42 116.255 -172.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 m 71.4 -63.09 0.43 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.637 1.575 . . . . 73.11 110.762 -172.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.651 ' SG ' HG13 ' A' ' 35' ' ' VAL . 63.9 m -65.11 -42.81 93.6 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.857 0.863 . . . . 45.22 111.894 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.494 ' HA ' HG12 ' A' ' 67' ' ' ILE . 6.6 t -85.26 -16.2 40.92 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.44 0.296 . . . . 65.42 111.338 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 m -71.3 -40.52 70.79 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.87 0.468 . . . . 54.53 110.959 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.6 m -97.32 121.47 58.55 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 123.245 0.618 . . . . 54.23 109.627 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -58.01 -35.97 98.38 Favored 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 123.659 2.906 . . . . 64.15 113.268 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -63.68 -43.07 97.74 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.231 0.612 . . . . 75.32 110.643 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.1 m -67.76 -29.82 69.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.968 0.907 . . . . 62.54 111.668 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.494 HG12 ' HA ' ' A' ' 61' ' ' THR . 78.0 mt -61.06 -51.13 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.028 0.531 . . . . 74.2 110.062 173.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.34 -44.45 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.868 0.73 . . . . 65.44 110.401 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.4 m -63.58 -45.4 90.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.731 0.812 . . . . 75.41 111.146 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.81 -51.13 61.52 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.561 0.538 . . . . 72.42 110.2 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.76 -44.56 77.75 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.111 0.964 . . . . 74.32 110.806 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -69.33 -38.77 78.36 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.736 0.815 . . . . 74.44 111.942 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.8 -47.61 84.67 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 111.865 -0.494 . . . . 52.24 111.865 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.41 -46.57 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.801 0.84 . . . . 65.5 109.605 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -56.48 -55.82 28.88 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.326 1.016 . . . . 74.31 111.089 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -62.62 -38.1 88.89 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.747 0.819 . . . . 62.03 111.31 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.9 ttp -61.86 -49.06 77.78 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.14 0.576 . . . . 62.42 110.645 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.547 HD13 HG21 ' A' ' 52' ' ' VAL . 94.4 mt -66.25 -38.67 88.41 Favored 'General case' 0 C--O 1.212 -0.916 0 C-N-CA 123.953 0.901 . . . . 73.34 111.041 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.9 mt-30 -67.8 -30.51 69.95 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.541 0.736 . . . . 75.3 111.198 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.77 -47.88 84.33 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 123.891 0.745 . . . . 74.02 110.534 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -88.41 -30.35 19.55 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.436 0.694 . . . . 74.1 111.151 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.516 HD11 ' HG3' ' A' ' 22' ' ' MET . 46.1 mt -131.27 94.0 28.26 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.401 1.08 . . . . 72.13 108.965 -169.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.08 -3.41 12.81 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 122.509 2.139 . . . . 75.32 112.986 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -69.9 -28.88 65.99 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.997 0.919 . . . . 74.34 110.059 173.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 78' ' ' LEU . 69.4 t -70.83 106.23 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 108.964 -0.754 . . . . 71.25 108.964 174.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -92.0 -33.52 14.8 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.388 0.675 . . . . 64.22 109.737 172.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.47 167.97 30.9 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.797 -0.638 . . . . 71.12 113.122 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.578 HG22 ' HB ' ' A' ' 52' ' ' VAL . 61.4 t -132.81 136.74 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 106.908 -1.516 . . . . 53.53 106.908 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -125.3 131.58 53.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.112 0.565 . . . . 61.54 110.184 -171.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -84.29 108.66 17.27 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.288 -1.004 . . . . 75.21 108.288 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 CA--C 1.537 0.467 0 C-N-CA 124.028 0.931 . . . . 65.43 109.176 176.472 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 112.077 0.399 . . . . 71.41 112.077 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.38 -45.43 93.34 Favored Glycine 0 C--N 1.357 1.728 0 N-CA-C 112.003 -0.439 . . . . 63.33 112.003 174.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 23' ' ' ILE . 59.4 t -64.49 -52.49 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.518 0.727 . . . . 60.35 110.158 175.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.93 -43.41 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.287 1.035 . . . . 72.43 111.58 -174.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -44.02 78.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.598 0.759 . . . . 64.11 111.367 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.431 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.8 ptm -70.48 -30.1 66.81 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 119.071 -0.49 . . . . 70.55 110.742 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 19' ' ' VAL . 72.7 mt -63.4 -48.05 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 109.136 -0.69 . . . . 72.52 109.136 172.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -53.26 -47.9 68.71 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 123.927 0.767 . . . . 73.32 111.297 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.62 -41.39 65.6 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 123.77 0.669 . . . . 62.43 110.705 -174.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 22' ' ' MET . 83.9 mt -60.06 -36.28 76.99 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.946 0.499 . . . . 74.13 110.634 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.7 mt -71.3 -52.02 21.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.813 -0.63 . . . . 63.41 109.753 174.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.36 -24.54 66.52 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.534 0.734 . . . . 54.31 112.806 -169.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.3 p -96.59 -40.8 8.85 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.387 0.675 . . . . 71.43 111.794 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HD2' ' SD ' ' A' ' 77' ' ' MET . 40.8 mtt180 -98.5 -54.5 3.02 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.843 0.457 . . . . 72.4 111.648 -172.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -86.29 -60.19 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 116.129 -0.487 . . . . 71.41 110.929 -166.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 71.1 mtp180 -47.1 -52.35 34.89 Favored Pre-proline 0 N--CA 1.488 1.432 0 CA-C-O 117.175 -1.393 . . . . 61.44 112.5 -176.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 52.6 Cg_exo -55.49 -43.37 58.75 Favored 'Trans proline' 0 C--N 1.408 3.669 0 C-N-CA 122.458 2.106 . . . . 72.13 112.635 178.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.0 m -59.66 -47.94 83.63 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.055 0.942 . . . . 72.12 110.938 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.731 HG13 ' SG ' ' A' ' 60' ' ' CYS . 24.4 t -71.59 -33.52 49.46 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 CA-C-N 114.965 -1.016 . . . . 73.03 110.224 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -66.54 -38.61 87.5 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.8 0.84 . . . . 73.21 110.755 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -69.68 -28.69 66.07 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.138 0.575 . . . . 74.43 110.495 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -77.6 -22.13 51.29 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.712 0.805 . . . . 74.52 110.828 176.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.67 8.78 22.22 Favored Glycine 0 N--CA 1.476 1.364 0 CA-C-O 120.065 -0.297 . . . . 60.15 113.721 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.14 -145.09 7.34 Favored Glycine 0 N--CA 1.47 0.941 0 CA-C-O 119.682 -0.51 . . . . 65.31 112.105 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -179.29 161.03 1.06 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.466 1.507 . . . . 74.14 108.956 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.2 m -124.57 118.5 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 108.238 -1.023 . . . . 64.2 108.238 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -106.25 120.55 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 108.261 -1.014 . . . . 72.44 108.261 -176.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -66.46 109.77 2.87 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.503 -0.554 . . . . 73.44 109.503 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 10.6 mmpt? -90.07 -38.36 13.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.296 0.639 . . . . 72.1 110.23 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 170.96 -171.42 43.86 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 121.101 -0.571 . . . . 75.32 113.675 177.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -144.68 111.09 5.6 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 106.502 -1.666 . . . . 55.1 106.502 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -124.86 133.51 53.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.249 -1.019 . . . . 75.44 108.249 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 67.67 -81.65 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 125.009 1.324 . . . . 73.21 109.817 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.89 15.79 0.36 Allowed Glycine 0 C--N 1.343 0.939 0 C-N-CA 123.814 0.721 . . . . 53.42 111.304 175.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.6 mm -108.19 116.01 50.47 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 C-N-CA 124.028 0.931 . . . . 70.24 108.774 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.549 ' HB ' HG22 ' A' ' 88' ' ' VAL . 46.9 t -78.73 103.59 5.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 N-CA-C 108.012 -1.107 . . . . 75.21 108.012 175.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -88.6 114.71 25.5 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 115.44 -0.8 . . . . 73.11 109.674 -174.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.0 mt -121.74 139.26 53.81 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.23 1.012 . . . . 73.12 110.618 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 83.4 tttt -88.6 114.42 25.2 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.173 0.989 . . . . 72.23 108.49 173.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.613 HD13 HD23 ' A' ' 70' ' ' LEU . 25.0 mt -95.92 134.63 38.68 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.085 -0.709 . . . . 73.13 109.085 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.404 ' OE1' ' HE2' ' A' ' 55' ' ' LYS . 10.3 mm100 -95.23 174.43 7.06 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.699 0.8 . . . . 64.31 110.218 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.48 174.33 3.91 Favored Glycine 0 C--N 1.361 1.929 0 O-C-N 124.329 1.018 . . . . 53.24 113.945 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.0 t 76.76 -55.11 0.57 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.418 1.487 . . . . 64.44 111.048 -176.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.731 ' SG ' HG13 ' A' ' 35' ' ' VAL . 85.8 m -78.79 -27.87 44.57 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.376 0.671 . . . . 74.21 111.464 176.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.2 p -77.7 -18.31 56.75 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.704 0.402 . . . . 74.4 111.662 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.9 m -60.84 119.11 7.58 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.353 0.661 . . . . 53.14 109.873 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.4 m 68.45 121.6 0.03 OUTLIER Pre-proline 0 CA--C 1.56 1.364 0 C-N-CA 125.327 1.451 . . . . 73.44 111.103 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.467 ' HA ' HD12 ' A' ' 67' ' ' ILE . 85.7 Cg_exo -50.57 -26.41 16.75 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 123.811 3.007 . . . . 51.24 114.329 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.3 t -56.71 -47.66 79.45 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.24 1.016 . . . . 64.13 110.851 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.0 m -72.11 -28.39 63.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.232 0.613 . . . . 74.23 111.962 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 64' ' ' PRO . 66.4 mt -65.37 -43.21 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.416 0.686 . . . . 73.05 110.395 173.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.09 -45.81 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.638 0.775 . . . . 63.41 109.7 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.4 m -63.39 -40.8 98.2 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.781 0.832 . . . . 72.15 111.375 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.613 HD23 HD13 ' A' ' 56' ' ' LEU . 28.9 tp -67.37 -48.23 68.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 122.943 0.497 . . . . 65.41 109.997 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -55.09 -46.74 75.5 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.865 0.866 . . . . 74.11 110.869 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -68.47 -48.76 63.66 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.732 1.27 . . . . 74.1 111.161 -168.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.31 -46.63 90.17 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 123.824 0.703 . . . . 54.31 112.509 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.72 -43.44 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.902 0.881 . . . . 74.55 110.526 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -63.14 -50.72 69.32 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.333 -0.849 . . . . 61.11 110.438 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -59.0 -36.73 75.42 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.018 0.824 . . . . 54.13 111.242 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.434 ' SD ' ' HD2' ' A' ' 30' ' ' ARG . 54.6 ttp -64.41 -57.3 9.67 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.261 0.624 . . . . 73.44 110.218 178.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 85' ' ' VAL . 97.2 mt -66.63 -28.25 68.34 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.743 0.817 . . . . 72.41 112.069 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.3 mt-30 -75.76 -35.41 60.17 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.015 0.526 . . . . 74.35 110.664 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -62.34 -49.33 76.0 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.752 0.821 . . . . 74.32 109.737 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -79.85 -36.39 36.79 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.628 -0.714 . . . . 73.33 111.985 -178.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.44 HG22 ' H ' ' A' ' 84' ' ' GLU . 19.4 mt -126.98 115.31 22.04 Favored Pre-proline 0 N--CA 1.488 1.44 0 C-N-CA 123.447 0.699 . . . . 75.11 110.667 -169.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.17 -9.79 26.13 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 123.041 2.494 . . . . 75.32 113.679 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.44 ' H ' HG22 ' A' ' 82' ' ' ILE . 8.8 mm-40 -76.38 -28.52 56.78 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.27 0.628 . . . . 75.23 110.779 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 78' ' ' LEU . 98.3 t -73.99 99.86 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 123.372 0.669 . . . . 34.35 110.179 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -77.83 -33.38 52.35 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.663 0.785 . . . . 62.34 110.015 173.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.93 179.51 40.66 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 116.233 -0.44 . . . . 65.52 112.938 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.549 HG22 ' HB ' ' A' ' 52' ' ' VAL . 52.7 t -133.53 135.99 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.613 1.165 . . . . 71.45 108.375 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -122.26 154.17 37.91 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.122 0.569 . . . . 54.24 110.578 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -94.93 108.25 20.29 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.334 -0.987 . . . . 62.24 108.334 167.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.446 HG23 ' HG3' ' A' ' 45' ' ' LYS . 3.7 m . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 108.261 -1.015 . . . . 74.13 108.261 169.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.335 0.112 . . . . 64.21 111.286 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.71 -34.5 66.67 Favored Glycine 0 C--N 1.349 1.281 0 N-CA-C 111.828 -0.509 . . . . 74.21 111.828 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 23' ' ' ILE . 47.4 t -64.78 -47.53 88.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 C-N-CA 123.105 0.562 . . . . 72.05 109.631 173.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 68.8 t -52.59 -46.78 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.296 1.039 . . . . 71.5 110.54 175.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.69 91.77 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 124.347 1.029 . . . . 51.31 111.892 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.88 -28.46 61.57 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 119.326 -0.369 . . . . 65.14 111.56 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 19' ' ' VAL . 83.7 mt -63.43 -42.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 N-CA-C 109.027 -0.731 . . . . 73.34 109.027 173.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 98.9 mttt -52.91 -45.68 67.7 Favored 'General case' 0 C--N 1.36 1.038 0 O-C-N 124.169 0.918 . . . . 71.35 111.185 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.98 -41.05 37.29 Favored 'General case' 0 C--O 1.212 -0.921 0 O-C-N 123.639 0.587 . . . . 72.21 110.637 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.39 -29.14 65.82 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 118.32 0.509 . . . . 74.43 110.967 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.5 mt -78.54 -58.22 3.36 Favored 'General case' 0 C--O 1.218 -0.59 0 C-N-CA 123.11 0.564 . . . . 73.03 109.636 171.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.3 -31.4 72.0 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.162 0.801 . . . . 71.31 113.162 -167.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.6 p -91.71 -41.35 10.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.683 0.793 . . . . 64.1 111.382 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -100.71 -55.08 2.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.818 0.447 . . . . 74.44 111.263 -171.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.5 mm -84.48 -56.63 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.011 0.524 . . . . 63.21 111.673 -166.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -48.62 -51.39 53.19 Favored Pre-proline 0 N--CA 1.484 1.257 0 CA-C-O 117.416 -1.278 . . . . 71.3 112.282 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 75.5 Cg_exo -52.16 -43.35 53.8 Favored 'Trans proline' 0 C--N 1.409 3.721 0 C-N-CA 122.44 2.094 . . . . 74.23 112.324 176.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -62.84 -48.78 77.59 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.348 1.059 . . . . 73.13 111.512 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 31' ' ' ILE . 8.7 t -69.79 -31.49 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 115.872 -0.604 . . . . 72.14 110.588 -176.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -70.35 -29.71 66.46 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.621 0.768 . . . . 73.2 111.187 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 28.1 mm-40 -68.97 -33.33 73.52 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 121.156 0.503 . . . . 75.54 109.916 171.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -79.97 -19.05 48.81 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.625 -0.716 . . . . 75.41 110.916 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.29 -32.04 4.26 Favored Glycine 0 C--N 1.351 1.414 0 C-N-CA 123.298 0.475 . . . . 52.52 113.274 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.91 -150.17 26.08 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 119.971 -0.35 . . . . 73.35 112.96 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -170.4 158.93 6.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.851 0.86 . . . . 63.0 109.908 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.416 HG13 HG21 ' A' ' 35' ' ' VAL . 34.2 m -117.66 120.35 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 108.318 -0.993 . . . . 62.43 108.318 174.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.3 mp -110.05 120.76 61.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 108.032 -1.099 . . . . 70.52 108.032 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -68.54 122.42 18.43 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.857 -0.423 . . . . 74.04 109.857 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -111.55 -36.74 5.42 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.365 0.666 . . . . 73.11 112.113 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.03 178.33 48.21 Favored Glycine 0 C--N 1.34 0.761 0 C-N-CA 120.672 -0.775 . . . . 72.51 113.762 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -152.87 109.81 3.48 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 106.67 -1.604 . . . . 74.32 106.67 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -151.93 133.41 14.62 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 123.694 0.797 . . . . 63.03 110.099 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 67.95 19.44 9.41 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.743 1.217 . . . . 74.44 111.068 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.78 90.13 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 116.55 -0.295 . . . . 53.22 112.949 -173.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -101.74 111.07 30.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 C-N-CA 123.529 0.732 . . . . 70.41 109.623 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.539 ' HB ' HG22 ' A' ' 88' ' ' VAL . 14.5 t -79.63 107.65 12.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 N-CA-C 107.939 -1.134 . . . . 74.03 107.939 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -90.13 111.74 22.98 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 109.472 -0.566 . . . . 74.31 109.472 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.83 137.19 54.87 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.232 1.013 . . . . 74.2 110.361 -175.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 87.9 tttt -88.31 132.41 34.42 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.009 -0.737 . . . . 52.5 109.009 174.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.456 HD12 HG23 ' A' ' 67' ' ' ILE . 47.9 mt -105.73 143.77 33.41 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 108.968 -0.752 . . . . 71.55 108.968 176.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -98.04 172.78 7.4 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.359 0.664 . . . . 75.43 112.167 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.18 164.32 6.41 Favored Glycine 0 C--N 1.361 1.919 0 CA-C-N 114.598 -1.183 . . . . 74.14 113.652 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m 76.93 -49.82 0.55 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 125.248 1.419 . . . . 62.13 110.535 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.4 t -71.46 -42.01 68.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.481 0.713 . . . . 55.34 110.15 172.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.1 p -76.9 -21.03 55.51 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.915 -0.584 . . . . 45.44 112.067 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -59.93 -39.63 86.15 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.488 0.715 . . . . 72.3 111.439 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 p -110.12 122.88 37.54 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 123.298 0.639 . . . . 64.34 109.527 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.46 -28.62 26.47 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 123.182 2.588 . . . . 65.1 113.992 -168.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.5 m -69.72 -35.81 75.34 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.452 0.301 . . . . 52.02 110.591 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.3 t -64.5 -36.5 84.39 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.752 0.821 . . . . 73.11 111.191 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.456 HG23 HD12 ' A' ' 56' ' ' LEU . 67.6 mt -55.98 -52.62 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.803 0.841 . . . . 44.12 110.466 175.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -71.32 -46.41 65.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 114.51 -1.223 . . . . 65.11 110.879 -173.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 m -60.48 -43.22 97.19 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.754 0.821 . . . . 71.35 111.018 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.1 tp -63.87 -53.79 45.08 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 123.826 0.704 . . . . 62.43 109.929 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.82 -36.88 72.85 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 124.297 0.998 . . . . 51.31 111.153 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -71.48 -41.75 68.96 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.426 0.691 . . . . 73.31 110.997 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.01 -44.22 98.09 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 111.806 -0.518 . . . . 41.42 111.806 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.17 -42.08 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 124.42 1.088 . . . . 55.41 109.999 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.43 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 29.1 tt0 -59.45 -52.71 64.43 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 123.86 0.864 . . . . 60.14 110.118 -177.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -64.7 -32.58 74.32 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 124.238 0.961 . . . . 62.45 110.781 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 47.8 ttp -66.27 -50.96 61.92 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.375 0.67 . . . . 75.45 110.799 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 85' ' ' VAL . 90.4 mt -69.39 -30.42 68.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.569 0.748 . . . . 73.43 111.446 -176.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 47.4 mt-30 -77.65 -24.99 49.31 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.843 0.457 . . . . 74.11 110.928 175.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -73.21 -45.67 54.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.189 0.995 . . . . 73.33 110.326 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -81.76 -44.6 16.79 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.926 0.393 . . . . 71.31 111.424 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.4 HG22 ' H ' ' A' ' 84' ' ' GLU . 41.1 mt -113.19 121.42 38.05 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.712 0.805 . . . . 73.15 110.283 -169.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -67.43 -26.15 41.11 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.966 2.444 . . . . 64.52 113.195 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' H ' HG22 ' A' ' 82' ' ' ILE . 27.2 mm-40 -68.74 -31.48 70.57 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.284 0.633 . . . . 73.21 112.19 -174.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 78' ' ' LEU . 70.7 t -69.69 103.96 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.207 0.527 . . . . 74.3 109.73 178.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.93 -21.13 21.51 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.436 1.094 . . . . 73.12 110.942 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.87 176.67 44.93 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 115.832 -0.622 . . . . 42.44 112.103 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.539 HG22 ' HB ' ' A' ' 52' ' ' VAL . 76.7 t -141.04 138.36 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 107.45 -1.315 . . . . 63.43 107.45 178.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -129.84 146.92 51.56 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.315 0.646 . . . . 63.41 109.787 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -84.24 115.58 22.52 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.198 -1.038 . . . . 75.42 108.198 172.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 CA--C 1.535 0.404 0 C-N-CA 123.414 0.686 . . . . 71.35 109.393 175.126 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.495 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 7.3 p-10 . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 112.846 0.684 . . . . 72.12 112.846 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.08 -49.18 63.53 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 111.703 -0.559 . . . . 71.45 111.703 173.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 23' ' ' ILE . 47.2 t -63.47 -48.02 88.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.636 0.774 . . . . 60.15 109.996 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.495 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 49.9 t -55.71 -43.02 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 125.261 1.424 . . . . 73.12 111.738 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.28 84.51 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.657 0.783 . . . . 62.03 112.008 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.2 ptm -73.57 -26.62 60.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.356 -0.384 . . . . 65.11 111.27 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 19' ' ' VAL . 70.0 mt -64.74 -49.24 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 108.829 -0.804 . . . . 62.33 108.829 172.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -50.88 -46.05 60.3 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.126 0.97 . . . . 64.05 112.056 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.17 -42.41 65.91 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 123.543 0.527 . . . . 55.33 110.298 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -64.61 -26.55 68.45 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.192 0.597 . . . . 72.55 111.162 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 76.4 mt -74.94 -54.26 7.54 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.549 -0.537 . . . . 71.04 109.549 171.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.99 -22.51 64.09 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.57 -0.741 . . . . 74.54 112.079 -169.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.2 p -91.26 -39.05 12.29 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.803 0.841 . . . . 75.04 111.059 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 59.1 mtp180 -109.9 -60.83 1.74 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.824 0.45 . . . . 72.43 112.205 -171.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.7 mm -74.93 -60.81 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 119.066 -0.492 . . . . 73.25 111.163 -165.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 75.1 mtp180 -47.18 -51.52 40.98 Favored Pre-proline 0 C--N 1.367 1.336 0 CA-C-O 117.292 -1.337 . . . . 73.32 111.852 -178.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 99.7 Cg_exo -49.18 -47.04 23.39 Favored 'Trans proline' 0 C--N 1.404 3.459 0 C-N-CA 122.873 2.382 . . . . 72.11 113.818 175.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 m -63.84 -46.19 86.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.741 0.816 . . . . 71.11 111.125 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.758 HG13 ' SG ' ' A' ' 60' ' ' CYS . 40.5 t -69.77 -33.78 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 123.937 0.895 . . . . 64.25 110.819 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 70.5 mt-30 -64.49 -40.94 96.62 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.863 0.865 . . . . 72.22 110.755 176.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.59 -32.4 72.27 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.823 0.702 . . . . 74.01 111.209 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.61 -23.31 61.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.041 0.536 . . . . 62.51 110.395 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.44 -20.85 5.79 Favored Glycine 0 C--N 1.342 0.882 0 CA-C-N 116.354 -0.384 . . . . 53.32 113.052 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -98.24 -141.68 12.51 Favored Glycine 0 C--N 1.342 0.864 0 CA-C-O 120.079 -0.289 . . . . 33.22 113.487 -178.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -178.73 159.93 1.13 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.773 1.629 . . . . 51.14 108.194 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.74 112.58 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 108.944 -0.762 . . . . 71.51 108.944 175.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.526 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.3 mp -97.54 117.6 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 107.988 -1.116 . . . . 74.41 107.988 -178.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -67.46 112.1 4.46 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.854 0.462 . . . . 72.41 110.059 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -97.6 -32.77 11.62 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.153 0.981 . . . . 71.13 111.471 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.26 -170.48 42.59 Favored Glycine 0 C--N 1.343 0.928 0 C-N-CA 120.767 -0.73 . . . . 74.41 113.796 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -153.43 108.58 3.19 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.949 -1.13 . . . . 72.03 107.949 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -135.28 125.06 25.41 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 108.672 -0.862 . . . . 75.44 108.672 -171.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.4 t70 66.86 24.66 9.71 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.623 1.169 . . . . 74.21 111.029 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.7 11.47 83.95 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 115.716 -0.674 . . . . 31.34 113.031 -175.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.5 mm -108.72 116.62 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 123.547 0.739 . . . . 72.52 109.544 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.464 ' HB ' HG22 ' A' ' 88' ' ' VAL . 16.4 t -80.08 107.84 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.777 0.831 . . . . 74.12 109.463 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -82.69 113.78 20.6 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 109.341 -0.615 . . . . 62.23 109.341 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.9 mt -126.72 140.32 52.48 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.388 1.075 . . . . 61.23 109.787 -177.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.526 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 42.2 tttm -93.36 113.15 25.25 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.651 -0.87 . . . . 74.43 108.651 176.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.574 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 18.8 mt -89.18 135.06 33.78 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.367 -0.975 . . . . 53.41 108.367 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -94.22 177.4 5.97 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.126 0.97 . . . . 74.43 109.526 175.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.8 168.07 1.49 Allowed Glycine 0 C--N 1.356 1.652 0 O-C-N 123.726 0.641 . . . . 73.44 114.513 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.6 m 76.53 -53.13 0.59 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.756 1.622 . . . . 72.44 111.398 -172.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.758 ' SG ' HG13 ' A' ' 35' ' ' VAL . 70.1 m -75.01 -30.88 61.26 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.76 0.824 . . . . 73.23 111.684 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.8 p -78.85 -10.19 59.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.239 0.616 . . . . 55.25 111.959 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 m -66.94 108.91 2.75 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 123.23 0.612 . . . . 75.4 109.865 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 84.2 m 72.97 139.05 0.06 OUTLIER Pre-proline 0 CA--C 1.56 1.361 0 C-N-CA 125.048 1.339 . . . . 73.21 111.469 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -56.6 -35.43 97.16 Favored 'Trans proline' 0 C--N 1.386 2.52 0 C-N-CA 123.177 2.585 . . . . 75.21 113.053 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -60.98 -38.45 86.03 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.224 0.61 . . . . 64.33 112.336 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 m -68.51 -39.74 81.11 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.874 0.47 . . . . 71.14 110.905 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.4 mt -58.32 -47.47 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.149 0.98 . . . . 72.35 110.619 173.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.5 -43.99 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.968 0.907 . . . . 75.12 110.666 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.8 m -64.44 -46.67 82.16 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.25 0.62 . . . . 75.54 111.189 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.423 HD23 HD13 ' A' ' 56' ' ' LEU . 45.2 tp -62.86 -52.0 64.83 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.896 0.747 . . . . 72.12 109.996 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HG2' ' HB ' ' A' ' 88' ' ' VAL . 1.1 tmmt? -54.66 -42.09 70.92 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.878 1.271 . . . . 64.34 111.593 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -71.48 -38.44 71.23 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.462 0.705 . . . . 75.42 111.646 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.63 -49.65 67.56 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 111.962 -0.455 . . . . 54.2 111.962 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.6 mt -58.31 -48.9 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.585 1.154 . . . . 74.05 110.22 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -55.19 -60.52 3.27 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.56 1.163 . . . . 73.45 111.209 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -64.31 -33.9 76.9 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.176 0.923 . . . . 73.5 111.5 -173.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.468 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 38.5 ttp -62.8 -55.36 27.08 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.791 0.682 . . . . 51.23 109.75 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.478 ' HB3' HG21 ' A' ' 85' ' ' VAL . 95.2 mt -60.4 -35.93 76.9 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.674 0.789 . . . . 73.44 111.443 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 97.5 mt-30 -64.28 -29.57 70.66 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.775 0.83 . . . . 72.14 112.114 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -66.51 -35.93 81.46 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.505 0.722 . . . . 75.31 110.682 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -94.96 -29.21 14.76 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.171 0.588 . . . . 61.53 111.244 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.1 mt -131.54 115.53 15.98 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 124.083 0.953 . . . . 63.14 109.874 -166.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.88 -23.96 34.4 Favored 'Trans proline' 0 C--N 1.369 1.654 0 C-N-CA 123.182 2.588 . . . . 61.31 113.01 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -63.07 -38.93 93.13 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 74.41 112.111 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.478 HG21 ' HB3' ' A' ' 78' ' ' LEU . 78.4 t -64.72 98.6 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-O 121.512 0.672 . . . . 62.34 110.867 -177.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -80.28 -39.44 28.84 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.958 -1.019 . . . . 70.32 110.302 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -160.42 -177.66 33.71 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.073 -0.512 . . . . 43.13 112.941 -175.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.464 HG22 ' HB ' ' A' ' 52' ' ' VAL . 73.2 t -135.05 132.44 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.835 1.254 . . . . 73.43 107.67 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -114.54 135.75 53.78 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.422 1.089 . . . . 72.02 109.175 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.574 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 47.5 tt0 -86.26 132.62 33.95 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 109.339 -0.615 . . . . 63.2 109.339 171.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 11.8 m . . . . . 0 CA--C 1.538 0.503 0 C-N-CA 124.903 1.281 . . . . 70.43 108.109 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 119.437 -0.316 . . . . 70.34 111.413 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.9 -49.22 64.15 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.746 0.654 . . . . 72.4 112.077 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 23' ' ' ILE . 84.7 t -60.55 -49.35 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.617 0.767 . . . . 75.22 109.936 175.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.506 HG12 ' HE3' ' A' ' 24' ' ' LYS . 74.8 t -55.5 -45.65 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.411 1.085 . . . . 73.43 111.471 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.76 -40.38 72.68 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.837 0.855 . . . . 73.13 111.795 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.412 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.1 ptm -73.36 -28.51 62.08 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 119.177 -0.44 . . . . 72.02 110.64 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 19' ' ' VAL . 86.9 mt -62.74 -47.4 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 N-CA-C 109.139 -0.689 . . . . 71.21 109.139 170.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.506 ' HE3' HG12 ' A' ' 20' ' ' VAL . 99.7 mttt -51.53 -46.23 63.25 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 124.111 0.882 . . . . 64.11 111.898 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.58 -35.87 52.6 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 119.065 -0.493 . . . . 52.33 110.825 -176.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 22' ' ' MET . 71.6 mt -61.59 -30.55 70.75 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 118.39 0.541 . . . . 61.44 110.446 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.5 mt -72.91 -52.82 13.17 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.494 -0.558 . . . . 74.4 109.494 170.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.28 -27.92 69.67 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.319 1.048 . . . . 70.02 112.975 -170.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.2 p -95.55 -36.39 11.29 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.833 0.853 . . . . 73.4 111.321 -177.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -107.08 -57.5 2.06 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.008 0.523 . . . . 72.31 111.819 -171.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.7 mm -81.59 -62.63 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 119.286 -0.387 . . . . 74.2 111.223 -167.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.43 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 78.7 mtp180 -45.71 -53.58 19.44 Favored Pre-proline 0 C--N 1.364 1.213 0 CA-C-O 117.141 -1.409 . . . . 73.33 112.381 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.43 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 80.5 Cg_exo -51.19 -43.32 49.39 Favored 'Trans proline' 0 C--N 1.407 3.636 0 C-N-CA 122.757 2.305 . . . . 64.53 113.018 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -65.95 -42.42 89.99 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.31 1.044 . . . . 65.1 111.202 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.469 HG13 ' SG ' ' A' ' 60' ' ' CYS . 38.3 t -71.26 -32.5 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.69 0.796 . . . . 74.33 110.894 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -69.75 -34.49 73.89 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.459 0.704 . . . . 73.04 110.466 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -69.13 -35.71 76.7 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.547 0.739 . . . . 74.54 110.564 171.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -67.89 -23.55 65.13 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.02 0.928 . . . . 73.52 111.314 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.68 34.29 2.88 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 116.385 -0.37 . . . . 65.14 112.466 175.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.16 -142.14 3.41 Favored Glycine 0 C--N 1.339 0.714 0 N-CA-C 110.587 -1.005 . . . . 72.44 110.587 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -178.32 161.36 1.41 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.627 1.171 . . . . 75.52 108.95 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.403 HG23 ' HG2' ' A' ' 32' ' ' ARG . 27.8 m -126.79 119.97 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.178 -1.045 . . . . 63.44 108.178 175.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -106.1 129.81 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.048 -1.093 . . . . 74.12 108.048 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -69.77 116.31 10.01 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.262 0.351 . . . . 74.4 110.211 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 71.7 mmtt -106.14 -20.44 13.41 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.473 0.709 . . . . 71.44 111.933 -178.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 163.66 -172.4 39.56 Favored Glycine 0 C--N 1.346 1.116 0 C-N-CA 120.732 -0.747 . . . . 45.33 114.332 171.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -148.16 108.35 4.09 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 106.753 -1.573 . . . . 72.15 106.753 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -124.17 104.41 8.83 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.374 -0.973 . . . . 74.42 108.374 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 53.63 59.15 4.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.255 1.022 . . . . 63.4 111.55 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.41 -16.59 33.88 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-N 115.033 -0.985 . . . . 74.51 114.696 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mm -95.01 110.9 24.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 117.026 0.413 . . . . 72.34 110.264 -173.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.465 HG21 HD13 ' A' ' 78' ' ' LEU . 38.7 t -81.01 104.27 9.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.78 -0.822 . . . . 64.33 108.78 178.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -85.98 119.81 26.69 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.151 0.58 . . . . 75.12 109.516 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -129.95 137.8 50.53 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.036 0.935 . . . . 52.41 111.066 -173.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -88.17 113.96 24.31 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.667 0.787 . . . . 72.04 109.223 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.4 mt -89.71 133.78 34.5 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.471 -0.937 . . . . 74.14 108.471 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -92.8 175.3 6.86 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.229 0.612 . . . . 74.0 109.966 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.49 162.01 5.43 Favored Glycine 0 C--N 1.357 1.71 0 C-N-CA 124.008 0.813 . . . . 40.13 113.752 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m 75.06 -61.0 0.5 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.584 1.554 . . . . 55.55 110.094 -170.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.469 ' SG ' HG13 ' A' ' 35' ' ' VAL . 33.0 m -63.96 -42.04 97.4 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.477 1.111 . . . . 65.22 111.701 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.6 t -87.45 -6.07 58.56 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.185 0.594 . . . . 72.34 111.649 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.8 m -88.27 -7.61 56.5 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.489 0.716 . . . . 71.34 112.561 -173.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.4 p -143.18 127.69 9.65 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.476 0.71 . . . . 62.43 109.329 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.09 -25.65 77.55 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.992 2.461 . . . . 70.42 112.966 -175.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -60.28 -48.89 79.8 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.29 0.636 . . . . 71.11 110.868 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.5 m -72.17 -34.23 68.31 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.106 -0.497 . . . . 70.05 111.372 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.15 -46.76 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.794 0.438 . . . . 62.12 110.879 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.9 mt -67.33 -52.48 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.784 0.834 . . . . 51.33 110.947 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.4 m -59.52 -46.21 89.5 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.169 0.588 . . . . 55.11 111.115 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.55 -56.44 15.96 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.709 0.804 . . . . 70.31 110.439 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -44.08 75.54 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.285 1.034 . . . . 64.13 111.363 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -67.99 -40.85 83.0 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.538 0.735 . . . . 64.32 111.374 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.08 96.27 Favored Glycine 0 CA--C 1.526 0.737 0 O-C-N 123.135 0.272 . . . . 35.43 112.527 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.71 -41.32 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.346 1.058 . . . . 73.5 109.923 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -62.19 -56.17 21.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.896 0.879 . . . . 61.45 110.744 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -64.81 -26.38 68.32 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.334 0.654 . . . . 75.31 111.901 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.1 ttp -69.1 -60.48 2.33 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.014 -0.365 . . . . 72.42 110.014 174.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.519 ' HB3' HG21 ' A' ' 85' ' ' VAL . 97.1 mt -60.56 -39.9 89.67 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 123.821 0.848 . . . . 72.21 111.571 -175.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 94.1 mt-30 -66.07 -34.18 77.49 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.348 0.659 . . . . 61.22 111.898 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.45 -33.85 75.64 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.674 0.79 . . . . 64.54 110.725 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -101.32 -26.49 13.6 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.546 0.739 . . . . 73.44 111.885 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.6 mt -136.77 99.35 10.35 Favored Pre-proline 0 N--CA 1.483 1.208 0 C-N-CA 124.429 1.092 . . . . 54.42 108.989 -167.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.45 -10.79 29.72 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.831 2.354 . . . . 65.25 113.205 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -65.9 -35.97 82.09 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.331 0.653 . . . . 61.1 110.909 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' A' ' 78' ' ' LEU . 98.3 t -68.54 117.23 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.103 0.561 . . . . 64.43 109.783 177.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -98.21 -27.53 14.12 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.514 1.126 . . . . 74.34 110.477 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.81 -179.14 43.35 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.994 -0.548 . . . . 72.25 112.53 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.439 HG22 ' HB ' ' A' ' 52' ' ' VAL . 75.8 t -131.53 138.57 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.508 1.123 . . . . 54.44 108.308 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -122.39 141.55 51.46 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.694 0.797 . . . . 64.21 109.843 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -85.44 112.76 21.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.687 0.795 . . . . 74.4 109.151 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 108.9 -0.778 . . . . 62.41 108.9 171.371 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 111.924 0.342 . . . . 72.32 111.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.65 97.23 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 123.654 0.596 . . . . 61.12 113.197 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.05 -48.99 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.658 0.783 . . . . 75.11 109.944 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.432 HG12 ' HE3' ' A' ' 24' ' ' LYS . 89.8 t -55.15 -44.3 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.465 1.106 . . . . 63.1 111.239 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.09 85.57 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.257 1.023 . . . . 74.54 111.604 -175.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.6 ptm -78.58 -22.38 47.2 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.624 -0.262 . . . . 72.31 111.333 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.09 -51.14 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 108.2 -1.037 . . . . 63.3 108.2 168.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HE3' HG12 ' A' ' 20' ' ' VAL . 97.8 mttt -53.1 -41.83 65.33 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.372 1.045 . . . . 73.43 111.6 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.52 -42.16 59.38 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 118.795 -0.621 . . . . 64.13 110.399 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.89 -35.02 77.11 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 118.495 0.589 . . . . 62.04 110.866 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.0 mt -66.63 -54.92 18.11 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.537 -0.756 . . . . 53.21 109.986 172.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.49 -31.23 71.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.645 0.778 . . . . 43.21 112.474 -168.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.5 p -91.09 -35.02 14.84 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.532 0.733 . . . . 71.21 111.946 -175.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -105.41 -59.47 1.76 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.803 0.441 . . . . 74.21 111.195 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.9 mm -73.57 -61.2 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 115.504 -0.771 . . . . 71.13 110.324 -164.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HG2' HG22 ' A' ' 42' ' ' VAL . 70.2 mtp180 -48.13 -50.64 54.21 Favored Pre-proline 0 CA--C 1.559 1.295 0 CA-C-O 116.94 -1.505 . . . . 62.2 112.278 -177.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 81.1 Cg_exo -49.67 -54.54 5.29 Favored 'Trans proline' 0 C--N 1.411 3.858 0 C-N-CA 122.896 2.397 . . . . 74.01 113.166 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.6 m -60.21 -44.92 94.76 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.236 1.014 . . . . 64.21 111.735 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.636 HG13 ' SG ' ' A' ' 60' ' ' CYS . 64.0 t -68.8 -34.43 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 C-N-CA 124.461 1.104 . . . . 73.13 110.525 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.17 -26.86 59.4 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.341 0.656 . . . . 75.03 111.482 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 15.3 mm-40 -65.56 -34.52 78.43 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.796 0.438 . . . . 74.45 109.858 172.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -80.04 -24.04 40.99 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.408 -0.814 . . . . 74.01 110.445 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.75 -21.15 7.6 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.442 -0.345 . . . . 73.24 113.243 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.58 -162.11 30.99 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 122.832 0.253 . . . . 62.4 113.326 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -169.84 156.43 6.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.23 1.012 . . . . 74.01 108.705 176.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.424 HG22 ' HG2' ' A' ' 32' ' ' ARG . 17.0 m -121.8 121.54 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 N-CA-C 108.402 -0.962 . . . . 44.33 108.402 177.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.8 mp -107.6 117.4 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 107.926 -1.138 . . . . 72.01 107.926 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -67.6 112.39 4.71 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 109.539 -0.541 . . . . 63.23 109.539 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.51 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 10.5 mmpt? -95.12 -49.97 5.28 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.871 0.868 . . . . 71.45 111.185 -176.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.5 -174.08 36.91 Favored Glycine 0 C--N 1.345 1.051 0 C-N-CA 121.246 -0.502 . . . . 54.23 113.458 -174.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -158.14 123.28 4.38 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 107.458 -1.312 . . . . 73.11 107.458 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -126.49 111.56 14.55 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.442 -0.577 . . . . 72.35 109.442 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 70.85 -72.59 0.11 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.028 1.331 . . . . 73.34 110.365 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.517 ' HA3' ' HG2' ' A' ' 86' ' ' GLU . . . -147.61 3.57 0.86 Allowed Glycine 0 C--N 1.343 0.951 0 CA-C-N 115.972 -0.558 . . . . 42.03 113.271 174.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.9 mm -91.13 106.46 17.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 N-CA-C 109.335 -0.617 . . . . 74.41 109.335 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.577 ' HB ' HG22 ' A' ' 88' ' ' VAL . 47.6 t -79.09 105.5 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 124.344 1.058 . . . . 72.1 108.651 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' HB3' HG21 ' A' ' 91' ' ' VAL . 79.3 mt-30 -83.38 116.82 22.65 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.156 0.582 . . . . 74.21 109.735 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.6 mt -124.3 133.99 53.32 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.462 1.105 . . . . 73.33 110.225 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 64.8 tttp -88.29 109.36 19.9 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.05 -1.092 . . . . 74.23 108.05 171.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.541 HD13 HD23 ' A' ' 70' ' ' LEU . 46.5 mt -88.07 145.22 26.07 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.049 -1.093 . . . . 73.33 108.049 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -99.64 175.68 5.73 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.254 0.622 . . . . 71.41 109.705 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.11 -174.53 4.45 Favored Glycine 0 C--N 1.353 1.491 0 O-C-N 123.684 0.615 . . . . 64.01 113.709 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.6 m 73.51 -60.43 0.53 Allowed 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.504 1.521 . . . . 75.22 111.098 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.636 ' SG ' HG13 ' A' ' 35' ' ' VAL . 57.7 m -75.99 -6.5 51.25 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.205 1.002 . . . . 72.41 112.065 176.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.9 p -125.13 37.82 4.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.922 0.889 . . . . 73.1 110.333 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.3 m -61.88 -32.35 72.71 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.087 0.555 . . . . 64.24 112.379 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 77.4 m -137.94 157.32 73.38 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.016 0.926 . . . . 63.2 109.717 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -49.8 -38.34 46.91 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 123.137 2.558 . . . . 61.34 113.351 171.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t -71.74 -30.86 66.06 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.32 0.648 . . . . 64.03 111.491 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.5 m -63.69 -41.75 98.1 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.663 0.385 . . . . 63.44 110.027 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.45 -51.24 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.217 1.007 . . . . 72.1 110.857 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.59 -46.16 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.997 0.919 . . . . 55.54 110.976 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.5 m -64.83 -45.63 85.33 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.224 0.61 . . . . 62.05 111.033 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 56' ' ' LEU . 56.3 tp -62.46 -51.84 65.87 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.441 0.463 . . . . 63.1 110.533 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.4 -44.68 76.4 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.602 1.561 . . . . 62.21 111.266 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -70.4 -39.29 74.58 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.631 0.772 . . . . 54.34 111.45 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.86 -47.93 85.02 Favored Glycine 0 C--N 1.342 0.899 0 N-CA-C 112.033 -0.427 . . . . 74.33 112.033 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.5 mt -60.57 -44.89 97.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 123.92 0.888 . . . . 75.23 109.838 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -58.11 -57.52 12.5 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.585 1.154 . . . . 64.33 111.828 -175.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.54 -28.42 66.0 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 123.762 0.664 . . . . 42.5 111.655 -176.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 32.7 ttp -65.21 -49.6 69.11 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 109.969 -0.382 . . . . 64.23 109.969 173.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.544 ' HB3' HG21 ' A' ' 85' ' ' VAL . 94.7 mt -63.33 -35.11 79.28 Favored 'General case' 0 C--O 1.211 -0.948 0 C-N-CA 123.541 0.736 . . . . 63.02 110.661 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -72.82 -27.98 62.29 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.251 0.62 . . . . 72.42 111.989 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -70.79 -44.74 65.99 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.437 0.695 . . . . 73.34 110.487 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -89.14 -36.52 15.65 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.089 0.556 . . . . 75.33 111.579 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.4 mt -118.84 107.06 42.84 Favored Pre-proline 0 N--CA 1.482 1.158 0 C-N-CA 124.145 0.978 . . . . 74.53 109.197 -174.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -70.37 -6.3 18.58 Favored 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.954 2.436 . . . . 55.42 113.219 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.43 -20.14 57.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.444 0.697 . . . . 71.45 111.501 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 78' ' ' LEU . 58.6 t -82.62 122.12 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.401 0.68 . . . . 73.45 110.727 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.517 ' HG2' ' HA3' ' A' ' 50' ' ' GLY . 29.5 mm-40 -91.37 -37.78 13.02 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.691 1.196 . . . . 64.23 110.52 172.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.25 -179.86 39.9 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 115.465 -0.789 . . . . 51.14 112.791 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.577 HG22 ' HB ' ' A' ' 52' ' ' VAL . 46.2 t -130.17 132.3 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.847 1.259 . . . . 72.11 108.006 172.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -112.4 138.99 48.35 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.382 -0.599 . . . . 71.33 109.382 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -86.48 116.17 24.45 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.365 -0.976 . . . . 74.33 108.365 170.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.441 HG21 ' HB3' ' A' ' 53' ' ' GLN . 2.5 m . . . . . 0 N--CA 1.47 0.564 0 C-N-CA 123.962 0.905 . . . . 72.31 109.186 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 119.692 -0.194 . . . . 74.41 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.79 -44.7 88.63 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 111.994 -0.442 . . . . 71.11 111.994 173.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.84 -51.88 68.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 123.65 0.78 . . . . 55.01 110.212 174.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.29 -46.59 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.638 1.175 . . . . 63.31 111.592 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.86 -47.43 86.42 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.94 0.896 . . . . 72.24 112.183 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.403 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.5 ptm -74.71 -23.8 58.65 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 119.084 -0.484 . . . . 75.41 111.445 -177.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.69 -47.34 86.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.003 0 N-CA-C 108.573 -0.899 . . . . 70.33 108.573 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -56.23 -37.24 69.45 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.803 0.689 . . . . 73.34 111.188 176.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.09 -50.7 45.92 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.504 0.722 . . . . 53.51 110.671 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 22' ' ' MET . 96.2 mt -62.47 -31.1 71.78 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.684 0.794 . . . . 75.31 111.147 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.93 -53.2 13.85 Favored 'General case' 0 C--O 1.214 -0.775 0 N-CA-C 109.181 -0.674 . . . . 74.22 109.181 173.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 23.0 t70 -60.26 -48.46 81.65 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.441 0.696 . . . . 74.01 112.512 -170.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.7 p -81.56 -36.23 29.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.485 0.714 . . . . 62.33 112.395 -172.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' NH1' ' HG3' ' A' ' 77' ' ' MET . 7.8 mtp-105 -103.03 -52.71 2.99 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.658 0.383 . . . . 64.33 111.735 -169.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 35' ' ' VAL . 44.0 mm -85.59 -57.27 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.411 0.685 . . . . 71.34 111.292 -168.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 52.9 mtp180 -45.32 -55.89 10.71 Favored Pre-proline 0 N--CA 1.483 1.212 0 CA-C-O 117.103 -1.427 . . . . 74.25 112.988 -176.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -60.59 -35.72 88.67 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 122.051 1.834 . . . . 74.44 111.898 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.3 m -65.12 -44.96 87.02 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.182 0.993 . . . . 71.12 111.033 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 31' ' ' ILE . 40.1 t -71.79 -26.93 26.52 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 123.958 0.903 . . . . 55.02 110.71 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -79.19 -25.47 42.74 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.297 0.639 . . . . 55.21 110.928 176.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -75.02 -25.89 59.11 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.964 0.506 . . . . 55.42 110.114 168.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -79.31 -21.34 46.08 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.377 172.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.4 -32.13 3.45 Favored Glycine 0 C--N 1.347 1.186 0 CA-C-O 120.053 -0.304 . . . . 40.34 113.52 170.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.52 -137.74 9.72 Favored Glycine 0 C--N 1.344 1.027 0 CA-C-O 119.448 -0.64 . . . . 73.14 112.668 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -173.32 164.84 4.74 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.541 0.736 . . . . 71.21 109.772 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.84 111.97 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 124.228 1.011 . . . . 73.32 108.978 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.494 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 2.0 mp -99.24 119.79 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.142 -1.059 . . . . 60.03 108.142 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -74.06 107.16 6.1 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.103 -0.703 . . . . 74.13 109.103 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -89.25 -42.27 11.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.488 -0.778 . . . . 71.22 110.559 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.52 -175.91 43.33 Favored Glycine 0 C--N 1.347 1.174 0 C-N-CA 120.668 -0.777 . . . . 70.33 114.464 -177.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -155.99 108.07 2.58 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.338 1.455 . . . . 75.21 107.111 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -143.28 134.82 26.32 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 107.579 -1.267 . . . . 74.34 107.579 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 62.75 29.01 16.73 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.275 1.03 . . . . 62.53 110.534 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.67 -1.14 68.19 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 115.321 -0.854 . . . . 73.52 113.69 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.8 mm -95.94 108.66 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 123.838 0.855 . . . . 74.02 109.096 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.603 HG21 HD13 ' A' ' 78' ' ' LEU . 41.9 t -79.14 102.69 5.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 108.455 -0.943 . . . . 74.33 108.455 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -86.07 110.78 19.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 109.621 -0.511 . . . . 74.31 109.621 -174.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -119.1 134.29 55.29 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 124.386 1.075 . . . . 73.44 110.319 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.494 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 84.5 tttt -88.29 123.72 33.18 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 123.966 0.906 . . . . 75.32 109.019 172.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.419 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 38.6 mt -95.56 139.29 32.04 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.012 -0.736 . . . . 74.42 109.012 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -95.6 172.47 8.04 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.328 0.651 . . . . 73.43 111.199 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.17 154.33 15.33 Favored Glycine 0 C--N 1.359 1.848 0 O-C-N 124.137 0.898 . . . . 63.52 113.703 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.8 m 77.26 -30.97 0.17 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.838 1.655 . . . . 73.21 112.34 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.5 m -91.13 -37.93 13.07 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.653 0.781 . . . . 72.22 110.375 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.4 t -93.86 0.03 55.99 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.61 -0.723 . . . . 75.35 112.087 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.6 m -63.97 -44.09 93.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.831 0.452 . . . . 70.14 111.059 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 33.5 m -101.76 118.74 58.91 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.532 0.733 . . . . 43.42 109.806 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -51.22 -33.27 43.96 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 123.022 2.481 . . . . 63.14 113.176 170.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 m -56.54 -47.01 80.32 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.869 0.868 . . . . 72.15 110.796 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.4 t -68.0 -36.64 80.32 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 114.934 -1.03 . . . . 62.03 110.923 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.0 -46.96 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 123.937 0.773 . . . . 65.32 110.569 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.05 -50.75 79.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.786 0.834 . . . . 72.14 110.497 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.6 m -64.92 -40.62 95.33 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.571 0.749 . . . . 52.44 111.565 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.17 -52.24 50.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.184 0.594 . . . . 70.51 109.967 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.95 -42.77 85.66 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.467 1.107 . . . . 73.32 111.455 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -68.11 -41.94 81.04 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.246 0.618 . . . . 64.02 111.138 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.43 -43.53 99.21 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 112.091 -0.404 . . . . 62.44 112.091 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.31 -35.92 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.794 0.838 . . . . 64.53 110.176 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.458 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 58.1 tt0 -61.84 -58.43 8.0 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 122.96 0.504 . . . . 62.54 110.283 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -59.56 -31.27 69.28 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.631 0.773 . . . . 71.45 111.786 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.431 ' HG3' ' NH1' ' A' ' 30' ' ' ARG . 19.0 tmm? -66.8 -54.64 20.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.173 0.589 . . . . 73.32 110.673 175.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.603 HD13 HG21 ' A' ' 52' ' ' VAL . 76.6 mt -68.32 -27.59 66.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.54 0.736 . . . . 64.04 111.791 -177.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -79.84 -21.94 43.57 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.738 0.815 . . . . 75.44 111.259 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -69.88 -48.13 59.9 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.21 0.604 . . . . 73.31 109.823 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.79 -34.37 22.78 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.689 -0.687 . . . . 61.22 111.784 -176.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.7 mt -131.92 118.3 16.44 Favored Pre-proline 0 N--CA 1.485 1.288 0 C-N-CA 124.01 0.924 . . . . 72.42 109.976 -170.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -78.33 -10.13 16.23 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 122.635 2.223 . . . . 53.2 113.37 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.3 -30.6 64.95 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.2 0.6 . . . . 72.11 111.344 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.52 HG21 ' HB3' ' A' ' 78' ' ' LEU . 86.6 t -67.47 103.2 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.826 0.85 . . . . 75.33 110.643 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -70.47 -32.85 70.56 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.929 0.892 . . . . 63.12 111.175 172.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.458 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 179.8 -173.02 44.74 Favored Glycine 0 CA--C 1.504 -0.65 0 CA-C-N 116.067 -0.515 . . . . 75.01 112.545 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.478 HG22 ' HB ' ' A' ' 52' ' ' VAL . 74.5 t -127.6 144.29 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.036 1.334 . . . . 60.21 107.424 175.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -130.18 141.25 50.68 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.995 -0.743 . . . . 75.25 108.995 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.419 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 47.3 tt0 -83.85 115.49 22.28 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.722 -1.214 . . . . 73.53 107.722 169.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 108.413 -0.958 . . . . 64.12 108.413 168.635 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.588 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 36.9 t70 . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 111.403 0.149 . . . . 74.12 111.403 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.45 -42.52 89.1 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 111.346 -0.702 . . . . 72.11 111.346 170.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 23' ' ' ILE . 89.4 t -64.92 -50.97 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.352 0.661 . . . . 63.04 109.697 172.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 54.8 t -54.38 -41.51 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.706 1.202 . . . . 65.52 111.561 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.87 -44.54 76.84 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.746 0.818 . . . . 70.14 111.436 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.78 -22.92 59.67 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.424 -0.353 . . . . 54.11 111.25 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 19' ' ' VAL . 73.4 mt -68.69 -50.02 59.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 108.421 -0.955 . . . . 74.45 108.421 170.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.04 -40.21 66.88 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.638 0.775 . . . . 63.5 111.22 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.07 -51.49 53.87 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 124.063 0.852 . . . . 64.1 110.573 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.68 -35.42 77.94 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 123.864 0.727 . . . . 63.51 111.053 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.49 -53.97 16.52 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 109.87 -0.418 . . . . 65.43 109.87 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.4 -38.82 91.13 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.872 0.869 . . . . 72.53 112.386 -168.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.1 p -86.29 -36.55 19.26 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.977 -0.556 . . . . 71.31 112.208 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -103.36 -58.02 1.94 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.205 0.602 . . . . 75.42 111.446 -170.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.41 HD11 ' SD ' ' A' ' 77' ' ' MET . 50.9 mm -83.78 -48.04 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 116.204 -0.453 . . . . 73.54 111.171 -166.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -53.07 -53.05 59.79 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-O 117.43 -1.271 . . . . 73.32 111.875 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.494 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 50.0 Cg_exo -55.18 -41.93 73.77 Favored 'Trans proline' 0 C--N 1.404 3.471 0 C-N-CA 122.346 2.03 . . . . 71.22 112.325 178.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.6 m -59.68 -50.76 72.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.811 0.845 . . . . 65.13 111.36 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.502 HG13 ' SG ' ' A' ' 60' ' ' CYS . 38.3 t -71.74 -26.25 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 123.154 0.582 . . . . 62.54 111.052 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -72.88 -30.89 64.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.784 0.434 . . . . 74.24 110.543 173.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 22.6 mm-40 -74.0 -27.08 60.79 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.004 0.522 . . . . 75.53 110.352 172.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.81 -21.4 57.37 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.809 0.844 . . . . 61.12 110.041 170.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.56 -16.43 24.03 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 116.148 -0.478 . . . . 72.14 113.393 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.79 -145.81 19.83 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 112.302 -0.319 . . . . 32.34 112.302 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -171.71 158.85 5.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.247 1.019 . . . . 72.23 109.339 173.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.9 m -115.94 115.68 49.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 N-CA-C 108.194 -1.039 . . . . 73.51 108.194 174.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 43' ' ' ILE . 3.1 mp -107.99 119.98 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 107.847 -1.168 . . . . 72.34 107.847 -175.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -69.5 113.79 7.13 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 109.639 -0.504 . . . . 73.32 109.639 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -102.34 -29.25 11.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.063 0.945 . . . . 73.14 111.782 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.98 -171.31 42.89 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 120.759 -0.734 . . . . 71.23 114.391 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -150.29 110.7 4.21 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 106.633 -1.617 . . . . 75.35 106.633 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -131.17 131.94 44.4 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.329 -0.989 . . . . 64.33 108.329 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 77.08 -33.41 0.2 Allowed 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 125.413 1.485 . . . . 75.03 113.213 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.84 -5.74 3.12 Favored Glycine 0 N--CA 1.472 1.034 0 N-CA-C 110.781 -0.928 . . . . 51.12 110.781 -166.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.82 124.4 50.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 C-N-CA 124.031 0.932 . . . . 75.0 109.406 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.579 ' HB ' HG22 ' A' ' 88' ' ' VAL . 44.8 t -84.99 113.82 24.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 108.493 -0.928 . . . . 63.02 108.493 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -91.01 115.7 28.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.305 0.642 . . . . 72.43 109.738 -176.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.9 mt -128.22 137.13 51.9 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.476 1.11 . . . . 75.33 110.202 -175.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.37 130.74 34.53 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.886 -0.783 . . . . 70.23 108.886 172.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.7 mt -103.25 143.46 32.61 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 108.307 -0.997 . . . . 70.4 108.307 173.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -95.11 175.34 6.66 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.163 0.585 . . . . 75.43 110.566 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.44 65.82 3.93 Favored Glycine 0 C--N 1.352 1.45 0 N-CA-C 115.028 0.771 . . . . 74.11 115.028 -169.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.9 m -148.7 -51.98 0.17 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.383 -1.34 . . . . 74.11 107.383 171.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.562 ' SG ' HD22 ' A' ' 70' ' ' LEU . 55.8 m -69.48 -40.27 77.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.518 0.727 . . . . 51.55 109.916 170.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.542 ' HA ' HG12 ' A' ' 67' ' ' ILE . 13.2 m -74.09 -16.58 61.02 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.402 -1.272 . . . . 74.33 111.784 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.3 m -72.41 -9.99 59.22 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.634 0.774 . . . . 73.31 112.955 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.8 m -136.65 118.94 11.63 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 123.532 0.733 . . . . 70.13 109.574 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.33 -44.64 45.14 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 124.032 3.155 . . . . 64.41 115.047 -172.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.3 t -73.21 -35.38 66.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.373 0.269 . . . . 65.13 110.903 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.0 m -64.14 -30.9 71.94 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.138 0.575 . . . . 71.32 111.826 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.542 HG12 ' HA ' ' A' ' 61' ' ' THR . 70.6 mt -58.44 -55.35 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.89 0.876 . . . . 71.34 110.227 171.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.87 -42.8 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 114.633 -1.167 . . . . 72.34 110.389 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.7 m -67.16 -43.37 82.41 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 123.829 0.706 . . . . 72.24 111.128 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.562 HD22 ' SG ' ' A' ' 60' ' ' CYS . 58.8 tp -65.05 -49.26 70.82 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.344 0.402 . . . . 63.55 109.967 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -55.57 -43.37 75.86 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 124.25 0.969 . . . . 74.32 110.758 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.412 ' HA ' HE21 ' A' ' 75' ' ' GLN . 94.5 m-20 -73.46 -34.56 65.45 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.587 0.755 . . . . 72.01 111.899 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.81 91.8 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 112.162 -0.375 . . . . 62.44 112.162 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.19 -41.61 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.22 1.008 . . . . 72.44 109.778 174.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.412 HE21 ' HA ' ' A' ' 72' ' ' ASN . 10.6 tt0 -59.46 -47.73 84.38 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 124.314 1.046 . . . . 64.11 110.206 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -64.68 -37.5 87.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.522 0.729 . . . . 73.41 111.161 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.41 ' SD ' HD11 ' A' ' 31' ' ' ILE . 41.0 ttp -65.7 -53.91 34.54 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.958 0.408 . . . . 60.45 110.548 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.548 ' HB3' HG21 ' A' ' 85' ' ' VAL . 93.0 mt -65.69 -30.53 71.23 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.241 -0.89 . . . . 72.34 111.765 -177.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -74.59 -35.18 63.0 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.905 0.482 . . . . 65.2 110.812 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -61.43 -45.44 94.32 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.468 0.707 . . . . 71.53 110.306 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.28 -58.94 2.48 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.804 -0.634 . . . . 64.51 110.711 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.7 mt -97.44 122.03 56.75 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.035 0.934 . . . . 75.35 110.333 -172.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -75.54 -20.53 15.74 Favored 'Trans proline' 0 C--N 1.37 1.663 0 C-N-CA 122.572 2.181 . . . . 73.12 112.672 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.16 -25.24 63.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.451 0.701 . . . . 70.23 112.306 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 78' ' ' LEU . 91.4 t -72.9 96.8 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 109.516 -0.55 . . . . 62.53 109.516 175.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -69.98 -33.96 72.75 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.744 -0.662 . . . . 75.22 110.092 170.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.3 -173.79 39.21 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.68 -0.691 . . . . 74.41 113.444 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.579 HG22 ' HB ' ' A' ' 52' ' ' VAL . 78.5 t -132.47 149.27 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.982 1.313 . . . . 74.51 108.352 175.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -136.74 150.53 48.46 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.426 0.69 . . . . 71.53 110.311 177.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -88.07 118.19 27.47 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.175 0.99 . . . . 75.35 109.923 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.475 0.824 0 C-N-CA 123.667 0.787 . . . . 55.34 109.265 176.363 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 119.354 -0.355 . . . . 73.24 111.516 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.15 -48.68 24.61 Favored Glycine 0 C--N 1.353 1.482 0 O-C-N 123.065 0.228 . . . . 53.45 112.778 -176.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.03 -45.92 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.418 0.687 . . . . 41.44 109.505 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 68.8 t -56.86 -44.09 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 124.08 0.952 . . . . 73.42 111.142 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.22 78.46 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.712 0.805 . . . . 73.04 111.63 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.1 ptm -74.86 -27.41 60.25 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-O 119.228 -0.415 . . . . 74.54 110.881 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.1 -48.85 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 108.628 -0.878 . . . . 70.21 108.628 171.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 97.3 mttt -56.45 -41.89 77.23 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.862 0.726 . . . . 72.3 111.938 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.0 -43.78 64.52 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 109.468 -0.567 . . . . 74.14 109.468 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.59 -30.14 70.49 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.481 0.713 . . . . 74.21 110.778 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.96 -57.12 4.27 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 122.936 0.494 . . . . 71.13 109.767 172.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.32 -32.66 74.35 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.846 0.858 . . . . 63.41 112.821 -168.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 80.4 p -91.45 -28.58 17.54 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.661 0.785 . . . . 73.03 111.685 -174.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -116.17 -58.37 2.11 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.934 0.493 . . . . 75.14 111.518 -170.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.431 ' O ' HG23 ' A' ' 35' ' ' VAL . 45.4 mm -77.22 -58.42 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.315 0.646 . . . . 71.21 111.434 -170.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -48.31 -48.48 65.74 Favored Pre-proline 0 N--CA 1.482 1.173 0 CA-C-O 117.425 -1.274 . . . . 62.1 112.749 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.49 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 80.9 Cg_exo -48.51 -51.91 9.43 Favored 'Trans proline' 0 C--N 1.399 3.189 0 C-N-CA 122.376 2.051 . . . . 71.34 112.58 173.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.7 m -59.92 -44.82 94.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.148 0.979 . . . . 52.32 112.35 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 31' ' ' ILE . 4.2 t -71.06 -31.64 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 122.752 0.421 . . . . 74.41 110.574 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -73.88 -27.47 61.08 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.177 0.591 . . . . 63.22 111.194 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 19.7 mm-40 -70.81 -37.69 73.25 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 108.91 -0.774 . . . . 74.14 108.91 171.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.57 -21.98 62.63 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.273 1.029 . . . . 73.2 111.469 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.88 -18.08 9.9 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 119.902 -0.388 . . . . 44.32 113.587 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.0 -145.05 14.79 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 116.982 0.391 . . . . 61.45 112.787 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.423 ' H ' ' HB2' ' A' ' 57' ' ' GLN . 27.1 t0 -172.17 165.08 6.08 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.243 1.017 . . . . 75.54 109.579 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 m -125.71 125.15 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.917 0.887 . . . . 64.21 109.018 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -110.17 125.81 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.71 -0.848 . . . . 64.12 108.71 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -65.64 113.74 4.45 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 122.828 0.451 . . . . 75.5 110.65 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.464 ' HD2' ' HB2' ' A' ' 55' ' ' LYS . 9.3 mmpt? -93.53 -41.28 9.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.677 0.791 . . . . 74.44 110.993 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.54 -176.51 46.83 Favored Glycine 0 C--N 1.344 0.984 0 O-C-N 123.61 0.569 . . . . 60.33 113.355 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -155.02 118.51 4.5 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.713 1.205 . . . . 70.01 107.977 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -147.66 144.25 28.23 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.098 0.559 . . . . 75.55 109.745 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.8 t70 66.3 -82.75 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.804 1.241 . . . . 75.43 109.623 -172.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.27 13.18 0.24 Allowed Glycine 0 C--N 1.338 0.684 0 N-CA-C 110.817 -0.913 . . . . 74.13 110.817 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.1 mm -106.15 117.22 51.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 C-N-CA 123.504 0.722 . . . . 70.42 109.528 -173.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.518 ' HB ' HG22 ' A' ' 88' ' ' VAL . 21.2 t -86.34 109.4 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.515 -0.92 . . . . 63.4 108.515 176.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -85.51 122.14 29.21 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.362 -0.977 . . . . 74.2 108.362 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.1 mt -131.48 140.01 49.46 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.248 0.619 . . . . 73.02 110.541 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 77.4 tttt -87.65 121.83 30.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.998 -1.001 . . . . 70.42 109.077 174.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.09 146.65 23.49 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.119 -1.067 . . . . 65.33 108.119 170.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.423 ' HB2' ' H ' ' A' ' 41' ' ' ASP . 25.2 mm-40 -91.11 161.99 14.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.966 0.506 . . . . 65.24 110.455 -178.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.409 ' HA2' ' OG1' ' A' ' 61' ' ' THR . . . -73.75 67.35 1.66 Allowed Glycine 0 C--N 1.352 1.449 0 O-C-N 124.461 1.101 . . . . 63.35 113.094 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.6 m -156.75 -59.06 0.09 Allowed 'General case' 0 C--O 1.234 0.258 0 N-CA-C 106.714 -1.587 . . . . 73.22 106.714 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 37.4 t -69.84 -36.6 75.71 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.582 -0.735 . . . . 72.21 110.601 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.409 ' OG1' ' HA2' ' A' ' 58' ' ' GLY . 34.8 p -63.48 -27.07 69.02 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.812 0.845 . . . . 62.31 112.037 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.1 m -61.6 -22.35 65.14 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.024 0.93 . . . . 61.13 112.527 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 81.6 m -124.47 112.79 27.65 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 123.972 0.909 . . . . 65.52 109.224 175.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.91 -28.08 86.41 Favored 'Trans proline' 0 C--N 1.381 2.239 0 C-N-CA 123.073 2.515 . . . . 74.11 113.248 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 t -73.15 -32.42 64.86 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.814 0.446 . . . . 72.53 110.557 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.1 m -66.22 -36.58 83.41 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.518 0.327 . . . . 74.13 110.483 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.68 -50.42 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.704 0.802 . . . . 64.15 110.538 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.64 -50.86 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.318 0.647 . . . . 60.53 110.755 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 m -60.63 -45.42 94.12 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.553 0.741 . . . . 40.51 111.587 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.423 ' O ' HG13 ' A' ' 74' ' ' ILE . 34.5 tp -63.98 -53.47 49.66 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.729 0.643 . . . . 63.22 110.227 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -56.82 -41.97 78.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.062 0.945 . . . . 72.0 111.142 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.26 -43.2 87.18 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.309 0.644 . . . . 64.32 111.563 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.49 -44.51 97.49 Favored Glycine 0 C--N 1.346 1.097 0 O-C-N 123.513 0.508 . . . . 42.24 112.038 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 70' ' ' LEU . 71.6 mt -64.02 -47.49 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.664 0.786 . . . . 73.31 109.93 177.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.32 -51.73 68.57 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.26 0.975 . . . . 72.03 110.975 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -66.43 -34.6 78.32 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 124.11 0.881 . . . . 44.15 111.334 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 34.9 ttp -65.79 -52.08 53.74 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.54 0.525 . . . . 72.21 110.54 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.555 ' HB3' HG21 ' A' ' 85' ' ' VAL . 91.2 mt -62.4 -38.26 88.95 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.628 0.771 . . . . 52.15 111.004 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 70.9 mt-30 -65.44 -37.7 87.69 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.337 0.655 . . . . 71.54 111.286 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -63.04 -31.43 72.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.739 0.816 . . . . 62.32 111.433 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -105.76 -21.81 13.09 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.293 0.637 . . . . 60.01 111.974 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.8 mt -133.81 108.78 11.87 Favored Pre-proline 0 N--CA 1.488 1.472 0 C-N-CA 123.774 0.83 . . . . 75.41 109.782 -173.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -70.86 -11.77 29.87 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 122.661 2.241 . . . . 74.53 113.304 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.22 -35.54 78.1 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.478 0.711 . . . . 71.35 110.846 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 78' ' ' LEU . 85.0 t -69.03 105.02 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.86 -0.609 . . . . 72.21 109.845 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -84.19 -30.16 26.01 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.099 0.96 . . . . 64.32 110.727 170.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.22 -173.01 37.93 Favored Glycine 0 C--N 1.348 1.22 0 CA-C-N 116.33 -0.396 . . . . 45.44 113.488 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.518 HG22 ' HB ' ' A' ' 52' ' ' VAL . 55.3 t -137.57 133.21 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.892 1.277 . . . . 75.14 108.75 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -107.11 137.31 45.41 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.138 0.975 . . . . 60.2 109.397 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -85.86 128.97 34.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.579 -0.897 . . . . 75.55 108.579 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 3.5 m . . . . . 0 N--CA 1.473 0.705 0 C-N-CA 125.216 1.407 . . . . 72.05 107.27 166.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.556 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 6.6 p-10 . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 112.018 0.377 . . . . 74.34 112.018 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.43 -46.29 20.57 Favored Glycine 0 C--N 1.353 1.498 0 N-CA-C 111.044 -0.823 . . . . 54.24 111.044 166.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.471 HG13 HD13 ' A' ' 82' ' ' ILE . 57.2 t -58.85 -49.73 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.674 0.79 . . . . 71.0 109.905 172.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 41.9 t -59.38 -43.76 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.978 1.311 . . . . 74.33 111.631 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.61 90.72 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.337 0.655 . . . . 72.23 111.994 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.408 ' HG3' HD11 ' A' ' 82' ' ' ILE . 21.7 ptm -74.46 -24.55 59.06 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 119.299 -0.381 . . . . 72.11 111.036 -177.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 19' ' ' VAL . 82.0 mt -64.08 -50.94 74.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.113 0 N-CA-C 108.8 -0.815 . . . . 72.45 108.8 170.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -52.49 -41.65 63.59 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 124.067 0.854 . . . . 73.14 111.25 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.18 -51.86 58.5 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.107 0.88 . . . . 52.14 110.779 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.1 mt -58.63 -33.91 70.58 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.782 0.833 . . . . 53.21 111.379 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -69.29 -56.35 7.81 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.88 -0.6 . . . . 73.44 109.831 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.21 -34.06 77.48 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.739 0.816 . . . . 53.31 112.14 -167.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -86.27 -49.29 7.8 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.282 0.633 . . . . 70.1 111.565 -176.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mtp-105 -91.83 -59.19 2.18 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.5 0.32 . . . . 71.13 111.384 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 35' ' ' VAL . 44.9 mm -75.93 -60.33 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-O 118.644 -0.693 . . . . 73.12 111.598 -163.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 74.8 mtp180 -45.78 -53.16 21.53 Favored Pre-proline 0 N--CA 1.489 1.506 0 CA-C-O 117.366 -1.302 . . . . 74.5 112.327 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 78.5 Cg_exo -51.95 -45.0 41.48 Favored 'Trans proline' 0 C--N 1.404 3.479 0 C-N-CA 122.965 2.444 . . . . 63.33 113.342 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.1 m -60.55 -47.67 85.16 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.213 1.005 . . . . 72.41 111.672 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 31' ' ' ILE . 15.3 t -69.08 -31.5 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 115.263 -0.881 . . . . 72.3 110.625 -177.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -71.36 -23.9 61.99 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.6 0.76 . . . . 75.43 111.584 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.53 -36.43 82.68 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.862 -0.421 . . . . 61.43 109.862 172.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -77.63 -23.43 49.76 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.376 -0.829 . . . . 73.21 110.683 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.51 -3.53 29.4 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 116.218 -0.446 . . . . 44.11 113.177 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.86 -158.52 33.12 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 112.182 -0.367 . . . . 63.32 112.182 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -173.33 160.19 3.92 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.171 0.988 . . . . 73.3 108.966 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 m -123.76 125.14 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 109.195 -0.669 . . . . 70.45 109.195 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.506 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.5 mp -113.84 127.61 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 107.852 -1.166 . . . . 70.32 107.852 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -67.97 119.04 11.96 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 110.162 -0.31 . . . . 74.44 110.162 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.578 ' HG3' HG23 ' A' ' 91' ' ' VAL . 10.9 mmpt? -99.44 -45.51 5.81 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.493 0.717 . . . . 75.2 110.557 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.97 -172.98 44.55 Favored Glycine 0 C--N 1.34 0.797 0 C-N-CA 121.341 -0.457 . . . . 55.03 113.866 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -153.97 115.26 4.12 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 106.334 -1.728 . . . . 75.42 106.334 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.89 134.67 15.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.045 0.538 . . . . 63.15 110.161 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.74 24.6 14.67 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.628 1.171 . . . . 72.43 111.113 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.3 -1.27 88.63 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 115.976 -0.556 . . . . 31.3 113.721 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mm -96.24 110.77 25.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 C-N-CA 123.859 0.864 . . . . 74.31 109.718 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.528 HG21 HD13 ' A' ' 78' ' ' LEU . 38.3 t -79.84 104.34 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 108.161 -1.051 . . . . 63.4 108.161 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.562 ' HB3' HG21 ' A' ' 91' ' ' VAL . 73.6 mt-30 -88.41 122.73 32.23 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 109.254 -0.647 . . . . 74.23 109.254 -175.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.8 mt -131.36 142.6 50.1 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.924 0.89 . . . . 51.34 111.597 -172.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.506 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 86.3 tttt -89.41 116.54 27.68 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.015 0.926 . . . . 62.14 109.611 176.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.2 mt -92.76 146.15 23.86 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.251 -0.648 . . . . 72.13 109.251 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -102.28 176.12 5.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.116 0.567 . . . . 62.24 110.666 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.91 166.63 2.66 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 123.957 0.786 . . . . 64.34 114.955 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.2 t 77.07 -57.04 0.53 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.709 1.604 . . . . 44.23 110.658 -173.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.476 ' SG ' HG13 ' A' ' 35' ' ' VAL . 58.5 m -62.96 -40.07 96.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.464 0.706 . . . . 52.22 110.68 173.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.3 p -80.46 -11.25 59.7 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.348 -0.842 . . . . 63.23 112.572 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.5 m -66.62 -29.42 69.46 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.036 0.534 . . . . 65.4 111.436 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 72.9 m -122.32 121.82 27.65 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 123.639 0.775 . . . . 73.5 110.243 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.75 -39.04 85.24 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.25 2.634 . . . . 71.24 112.335 173.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 p -63.02 -36.75 84.6 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.988 0.915 . . . . 52.35 111.503 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.6 m -71.77 -34.81 69.76 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.061 0.545 . . . . 62.1 110.987 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.29 -46.3 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.305 0.642 . . . . 73.34 109.963 173.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.25 -54.2 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.077 0.951 . . . . 72.41 110.846 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.3 m -59.07 -45.11 91.63 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.954 0.902 . . . . 74.43 111.226 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.71 -50.11 70.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.289 0.635 . . . . 72.25 110.64 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.35 -37.81 70.53 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.348 1.059 . . . . 72.32 111.185 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -69.82 -41.42 75.03 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.906 0.883 . . . . 72.3 111.746 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.61 -45.58 95.52 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.897 -0.481 . . . . 53.4 111.897 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.62 -42.84 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.241 1.016 . . . . 72.4 110.233 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.428 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 34.6 tt0 -56.48 -60.4 3.58 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.731 0.813 . . . . 64.11 110.675 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -60.04 -36.83 78.16 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.49 0.716 . . . . 73.2 111.809 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.6 ttp -58.41 -58.45 8.44 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 123.5 0.5 . . . . 65.4 109.808 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.58 ' HB3' HG21 ' A' ' 85' ' ' VAL . 95.3 mt -63.94 -31.35 72.51 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.683 0.793 . . . . 63.32 111.7 -177.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -76.14 -23.47 54.82 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.798 0.839 . . . . 72.22 112.149 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -69.01 -45.99 69.13 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.617 0.573 . . . . 71.32 109.846 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -86.09 -37.67 18.59 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.664 -0.698 . . . . 73.15 110.798 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.471 HD13 HG13 ' A' ' 19' ' ' VAL . 45.7 mt -124.34 107.89 29.68 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 124.117 0.967 . . . . 61.24 109.766 -170.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.11 -4.69 15.83 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.546 2.164 . . . . 61.34 113.21 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -78.39 -12.74 60.02 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.005 0.522 . . . . 74.12 111.304 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.58 HG21 ' HB3' ' A' ' 78' ' ' LEU . 99.3 t -84.38 104.58 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 109.761 -0.459 . . . . 61.2 109.761 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.32 -35.95 66.15 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.031 0.932 . . . . 74.23 110.569 171.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.428 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -179.58 -170.53 41.45 Favored Glycine 0 C--N 1.34 0.776 0 CA-C-N 115.858 -0.61 . . . . 64.31 112.513 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 73.1 t -130.99 149.32 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.108 1.363 . . . . 62.21 108.673 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -137.96 149.78 46.45 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.309 0.643 . . . . 75.14 110.337 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -85.53 127.67 34.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.835 0.854 . . . . 75.2 109.205 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.578 HG23 ' HG3' ' A' ' 45' ' ' LYS . 2.6 m . . . . . 0 N--CA 1.481 1.091 0 C-N-CA 125.286 1.434 . . . . 74.52 108.569 173.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 119.72 -0.181 . . . . 74.41 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.39 -40.81 79.54 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.909 0.755 . . . . 52.21 112.528 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 23' ' ' ILE . 55.5 t -63.09 -50.57 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.294 0.638 . . . . 71.51 109.646 173.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.471 HG12 ' HE3' ' A' ' 24' ' ' LYS . 98.2 t -57.9 -42.02 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.193 0.997 . . . . 75.23 110.846 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.16 83.64 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.854 0.862 . . . . 65.13 111.289 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.5 ptm -74.37 -24.84 59.21 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 119.096 -0.478 . . . . 62.44 110.8 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 19' ' ' VAL . 78.8 mt -62.83 -48.27 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 N-CA-C 108.579 -0.897 . . . . 75.11 108.579 171.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE3' HG12 ' A' ' 20' ' ' VAL . 97.9 mttt -55.92 -41.72 74.99 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.012 0.82 . . . . 74.14 111.986 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.78 -42.6 63.78 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 110.051 -0.352 . . . . 71.25 110.051 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.3 -32.11 73.43 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.727 0.811 . . . . 73.33 110.967 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.16 -56.85 8.19 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 108.945 -0.761 . . . . 75.04 108.945 171.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.06 -31.77 72.98 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.453 0.701 . . . . 72.15 112.845 -170.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.3 p -92.17 -37.9 12.45 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.747 0.819 . . . . 62.35 111.925 -174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -106.96 -57.55 2.05 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.847 0.459 . . . . 64.13 112.138 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.2 mm -75.99 -63.79 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 122.724 0.41 . . . . 73.44 111.306 -167.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -43.73 -50.92 17.62 Favored Pre-proline 0 CA--C 1.56 1.363 0 CA-C-O 117.375 -1.298 . . . . 72.12 113.429 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.95 -46.68 32.17 Favored 'Trans proline' 0 C--N 1.397 3.105 0 C-N-CA 122.614 2.209 . . . . 73.01 113.219 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -61.81 -43.37 98.98 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.937 0.895 . . . . 74.35 111.578 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 70' ' ' LEU . 9.7 t -72.5 -30.04 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.319 0.648 . . . . 51.11 110.738 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -74.35 -25.87 59.78 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.401 0.68 . . . . 72.41 110.882 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.43 -32.37 62.62 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.237 0.615 . . . . 52.12 109.643 169.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -76.06 -21.02 57.23 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.372 -0.831 . . . . 74.55 111.084 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.42 -26.04 5.84 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 116.473 -0.331 . . . . 70.25 113.248 172.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.44 -142.45 11.2 Favored Glycine 0 N--CA 1.472 1.061 0 CA-C-N 116.851 0.325 . . . . 55.14 112.852 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -174.2 164.65 4.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.212 1.005 . . . . 72.12 109.233 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.07 124.22 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 109.026 -0.731 . . . . 75.4 109.026 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -106.71 124.66 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.331 -0.989 . . . . 72.12 108.331 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.79 107.62 3.58 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 123.618 0.573 . . . . 71.23 110.05 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -98.65 -34.41 10.57 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.736 0.814 . . . . 71.34 111.326 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.04 -176.94 47.25 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 115.165 0.826 . . . . 74.25 115.165 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -156.73 109.43 2.55 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 125.24 1.416 . . . . 72.31 107.32 176.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -141.89 131.26 23.66 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.117 -1.068 . . . . 73.34 108.117 -176.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 63.3 23.47 13.81 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.393 1.077 . . . . 72.13 110.727 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.5 ' HA3' ' HG2' ' A' ' 86' ' ' GLU . . . 81.1 6.45 89.41 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 115.891 -0.595 . . . . 71.13 113.538 -176.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.6 mm -100.95 115.64 42.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 123.637 0.775 . . . . 73.21 109.556 -177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.583 ' HB ' HG22 ' A' ' 88' ' ' VAL . 32.2 t -82.38 110.61 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 123.919 0.888 . . . . 75.43 109.257 -178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -88.9 120.3 30.18 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.119 0.568 . . . . 74.42 109.492 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.1 mt -129.23 143.8 50.99 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.629 0.772 . . . . 65.23 110.363 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 55.7 tttp -90.15 125.74 35.56 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.827 -0.805 . . . . 71.0 108.827 169.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.8 mt -94.54 139.46 31.14 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.323 -0.992 . . . . 43.43 108.323 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -94.75 169.03 10.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.143 0.577 . . . . 63.14 110.99 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.51 151.27 32.78 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 115.462 -0.79 . . . . 62.43 112.784 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.5 m 72.56 9.49 5.69 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.234 1.414 . . . . 71.11 111.858 -171.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.9 m -137.28 -37.53 0.63 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.353 1.061 . . . . 73.12 109.395 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -96.69 3.11 52.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.566 0.747 . . . . 63.31 111.401 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.1 m -74.4 -39.44 62.67 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.056 0.542 . . . . 65.41 110.891 -176.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 82.5 m -107.11 122.54 41.15 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 123.642 0.777 . . . . 73.24 109.507 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.35 -33.71 92.3 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.489 2.793 . . . . 74.45 113.394 178.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.7 m -59.83 -45.65 91.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.381 0.672 . . . . 74.22 110.683 175.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.8 m -67.29 -34.69 77.93 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.173 -0.921 . . . . 73.33 111.1 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.2 -51.45 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.349 0.659 . . . . 72.31 110.515 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.02 -51.68 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.529 0.731 . . . . 72.24 110.81 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.8 m -59.84 -46.84 88.01 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.857 0.863 . . . . 75.11 111.146 -177.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.472 HD11 HG22 ' A' ' 35' ' ' VAL . 46.0 tp -62.56 -53.26 57.3 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.749 0.656 . . . . 73.44 110.239 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.34 -39.5 76.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.379 1.072 . . . . 75.03 111.698 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -67.69 -38.95 84.4 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.499 0.72 . . . . 72.41 111.263 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.73 -47.24 85.5 Favored Glycine 0 C--N 1.348 1.195 0 O-C-N 123.48 0.488 . . . . 65.24 112.082 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 70' ' ' LEU . 57.4 mt -60.15 -43.93 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.04 0.936 . . . . 72.54 109.863 176.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.444 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 9.1 tt0 -58.65 -57.62 12.2 Favored 'General case' 0 C--O 1.22 -0.473 0 O-C-N 124.424 1.077 . . . . 63.15 111.06 -178.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -66.94 -27.01 67.13 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.319 0.647 . . . . 60.21 111.667 -175.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -69.93 -53.07 19.53 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.704 -0.48 . . . . 74.23 109.704 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.567 ' HB3' HG21 ' A' ' 85' ' ' VAL . 75.1 mt -62.91 -28.46 70.07 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.617 0.767 . . . . 52.4 111.684 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.5 mt-30 -78.55 -31.13 47.29 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.627 0.771 . . . . 53.21 111.189 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -64.65 -41.64 95.98 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.158 0.583 . . . . 62.31 110.183 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -86.13 -34.29 20.64 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.642 0.777 . . . . 64.25 111.536 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.483 HG22 ' H ' ' A' ' 84' ' ' GLU . 16.2 mt -132.18 119.16 16.49 Favored Pre-proline 0 N--CA 1.49 1.531 0 C-N-CA 123.104 0.561 . . . . 64.14 110.411 -170.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.72 -5.13 15.18 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.595 2.197 . . . . 74.02 113.091 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.483 ' H ' HG22 ' A' ' 82' ' ' ILE . 17.4 mm-40 -81.1 -23.64 38.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.906 0.882 . . . . 73.13 111.22 -178.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.567 HG21 ' HB3' ' A' ' 78' ' ' LEU . 86.5 t -74.83 103.13 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 109.075 -0.713 . . . . 65.12 109.075 176.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HG2' ' HA3' ' A' ' 50' ' ' GLY . 8.6 mm-40 -77.48 -27.01 51.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.783 0.833 . . . . 72.0 109.859 174.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.444 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 179.11 -171.16 43.13 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 116.004 -0.544 . . . . 65.44 113.212 176.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.583 HG22 ' HB ' ' A' ' 52' ' ' VAL . 76.8 t -131.49 136.49 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 125.309 1.444 . . . . 71.34 107.877 174.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -120.77 144.55 48.23 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.227 0.611 . . . . 71.43 110.06 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -85.51 116.59 23.9 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.292 -0.633 . . . . 71.14 109.292 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 9.0 m . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 107.393 -1.336 . . . . 73.43 107.393 164.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 118.832 -0.604 . . . . 75.52 112.218 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.27 -36.09 10.08 Favored Glycine 0 C--N 1.365 2.148 0 N-CA-C 115.639 1.015 . . . . 71.03 115.639 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 23' ' ' ILE . 59.9 t -59.23 -58.21 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.33 0.652 . . . . 53.13 110.066 172.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.573 HG12 ' HE3' ' A' ' 24' ' ' LYS . 64.7 t -60.63 -33.72 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.838 1.255 . . . . 61.25 110.953 -178.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.42 -44.64 67.5 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.599 1.16 . . . . 65.34 110.692 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.54 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.9 ptm -74.48 -25.04 59.13 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.612 -0.709 . . . . 74.24 110.979 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 19' ' ' VAL . 83.5 mt -62.39 -49.36 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 109.357 -0.608 . . . . 63.42 109.357 173.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.573 ' HE3' HG12 ' A' ' 20' ' ' VAL . 79.7 mttt -49.48 -44.8 46.19 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.165 0.986 . . . . 70.4 111.389 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.0 -53.9 15.62 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.874 -1.057 . . . . 72.02 111.613 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.77 -37.06 70.56 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.331 1.052 . . . . 62.01 111.205 -176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.54 -57.37 7.42 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.764 -0.653 . . . . 72.12 110.584 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.87 -36.23 83.24 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.332 0.653 . . . . 75.03 112.422 -168.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.8 p -85.4 -45.44 11.87 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.958 -0.564 . . . . 62.52 111.405 -176.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -95.66 -58.28 2.15 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.581 0.352 . . . . 71.25 111.804 -173.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.4 mm -78.54 -58.41 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 118.949 -0.548 . . . . 43.31 111.616 -164.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 56.9 mtp180 -45.56 -54.52 15.11 Favored Pre-proline 0 C--N 1.367 1.369 0 CA-C-O 117.011 -1.471 . . . . 75.14 112.511 -176.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.491 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 53.0 Cg_exo -55.43 -42.29 69.57 Favored 'Trans proline' 0 C--N 1.408 3.662 0 C-N-CA 122.514 2.143 . . . . 71.42 112.493 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.5 m -61.65 -48.28 81.55 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.341 1.056 . . . . 71.21 111.621 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 31' ' ' ILE . 11.6 t -69.34 -32.99 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.335 0.654 . . . . 73.11 110.471 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -67.56 -30.7 70.4 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.601 0.76 . . . . 72.43 110.828 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 18.2 mm-40 -70.09 -31.94 69.76 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.501 0.32 . . . . 45.13 111.105 174.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.6 -21.84 51.75 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.471 0.709 . . . . 65.3 110.401 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.19 -16.47 15.19 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-O 119.965 -0.353 . . . . 34.01 112.948 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.77 -158.28 33.73 Favored Glycine 0 C--N 1.351 1.395 0 C-N-CA 122.952 0.31 . . . . 72.42 112.83 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -173.16 159.34 3.85 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.311 1.044 . . . . 74.12 108.816 175.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.29 113.62 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 N-CA-C 108.358 -0.978 . . . . 70.25 108.358 177.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.6 mp -106.84 114.54 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 107.174 -1.417 . . . . 50.03 107.174 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.453 ' OH ' HG13 ' A' ' 20' ' ' VAL . 30.2 t80 -66.12 109.13 2.48 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.007 0.523 . . . . 71.54 110.168 -174.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 11.0 mmpt? -94.47 -42.55 8.79 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.614 0.766 . . . . 72.54 110.824 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.28 -179.31 47.52 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 121.01 -0.614 . . . . 70.52 114.11 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -160.3 122.85 3.32 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.208 -1.405 . . . . 74.34 107.208 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.78 138.24 32.13 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 108.926 -0.768 . . . . 75.32 108.926 173.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 62.64 -82.36 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.057 1.343 . . . . 72.44 110.611 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.63 4.65 0.79 Allowed Glycine 0 C--N 1.348 1.203 0 CA-C-O 120.191 -0.227 . . . . 30.22 113.241 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.9 mm -104.22 117.87 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 122.908 0.483 . . . . 73.52 109.99 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.53 HG21 HD13 ' A' ' 78' ' ' LEU . 42.2 t -89.37 105.24 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.256 1.022 . . . . 72.13 108.667 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -86.23 116.7 24.58 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 109.857 -0.423 . . . . 74.41 109.857 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.4 mt -122.86 145.44 48.44 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.39 1.076 . . . . 62.23 110.289 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.574 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 81.9 tttt -89.65 106.97 18.81 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.439 -0.948 . . . . 54.31 108.439 174.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.6 mt -90.42 126.71 35.98 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.815 -1.18 . . . . 75.41 107.815 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -92.55 173.31 7.85 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.37 0.668 . . . . 74.32 110.867 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.23 169.5 13.73 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-N 115.78 -0.646 . . . . 61.23 113.907 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m 75.22 -49.23 0.64 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 126.234 1.814 . . . . 65.21 111.587 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.754 ' SG ' HD22 ' A' ' 70' ' ' LEU . 53.1 t -70.99 -35.09 71.95 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.858 0.463 . . . . 52.42 110.931 174.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.4 p -92.55 27.2 2.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.475 0.71 . . . . 73.24 111.661 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.0 p -65.69 -36.63 84.17 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.081 0.953 . . . . 70.2 111.806 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.8 p -141.41 143.89 31.81 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 123.586 0.754 . . . . 75.11 109.822 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HA ' HD12 ' A' ' 67' ' ' ILE . 54.1 Cg_exo -54.03 -29.23 53.88 Favored 'Trans proline' 0 C--N 1.391 2.765 0 C-N-CA 123.681 2.921 . . . . 63.24 113.859 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 p -60.86 -49.28 78.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.488 0.715 . . . . 75.43 110.74 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -68.22 -33.07 73.74 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.241 0.616 . . . . 60.24 112.239 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 64' ' ' PRO . 69.7 mt -62.32 -51.75 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.783 0.833 . . . . 74.44 110.807 176.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.8 mt -68.14 -39.65 81.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.801 0.841 . . . . 74.45 111.133 -178.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.8 m -65.67 -37.74 87.34 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.24 0.616 . . . . 74.24 111.104 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.754 HD22 ' SG ' ' A' ' 60' ' ' CYS . 56.1 tp -68.83 -47.17 66.69 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 109.792 -0.447 . . . . 51.11 109.792 175.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.95 -33.24 68.63 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.662 1.185 . . . . 71.43 111.474 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -82.15 -35.82 28.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.222 1.009 . . . . 74.12 111.204 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.42 -49.96 66.09 Favored Glycine 0 N--CA 1.469 0.869 0 CA-C-O 121.142 0.301 . . . . 74.3 112.464 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.7 mt -62.75 -41.77 93.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 124.322 1.049 . . . . 74.31 110.158 175.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.481 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 51.9 tt0 -53.36 -58.78 5.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.451 1.1 . . . . 44.33 110.821 177.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -61.57 -34.99 76.54 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.643 0.777 . . . . 74.12 112.17 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.415 ' HE3' ' HB3' ' A' ' 77' ' ' MET . 15.3 tmm? -67.14 -50.56 60.86 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.932 0.493 . . . . 61.22 109.844 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.533 ' HB3' HG21 ' A' ' 85' ' ' VAL . 89.3 mt -64.53 -30.88 71.91 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.721 0.808 . . . . 73.33 111.534 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.7 mt-30 -74.6 -36.12 62.97 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.496 0.718 . . . . 54.3 111.02 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -58.43 -41.79 85.81 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.868 0.867 . . . . 53.11 110.292 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -88.49 -35.36 17.05 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.61 -0.723 . . . . 70.22 111.779 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.54 HD11 ' HG3' ' A' ' 22' ' ' MET . 26.3 mt -130.38 109.76 16.33 Favored Pre-proline 0 N--CA 1.486 1.368 0 C-N-CA 123.77 0.828 . . . . 61.33 109.923 -168.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.02 -3.14 13.12 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 122.664 2.243 . . . . 72.31 113.309 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.406 ' H ' HG22 ' A' ' 82' ' ' ILE . 10.7 mm-40 -79.34 -26.05 42.18 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.572 0.749 . . . . 72.23 111.049 -179.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.533 HG21 ' HB3' ' A' ' 78' ' ' LEU . 95.9 t -74.85 109.78 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.146 0.578 . . . . 61.34 109.543 176.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.76 -27.81 26.64 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.397 0.679 . . . . 74.22 110.564 171.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.481 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -175.77 -177.01 44.48 Favored Glycine 0 C--N 1.344 0.985 0 CA-C-N 116.222 -0.445 . . . . 61.2 113.405 -177.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.484 HG22 ' HB ' ' A' ' 52' ' ' VAL . 62.2 t -128.18 153.3 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 125.944 1.698 . . . . 53.51 107.392 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -142.83 143.02 31.96 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.426 0.69 . . . . 71.42 109.302 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -85.18 132.89 34.22 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.07 0.462 . . . . 64.12 110.597 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 3.8 m . . . . . 0 N--CA 1.474 0.766 0 C-N-CA 125.425 1.49 . . . . 41.3 108.284 171.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 111.217 0.08 . . . . 75.32 111.217 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.8 -38.83 96.07 Favored Glycine 0 C--N 1.349 1.257 0 N-CA-C 111.164 -0.775 . . . . 32.44 111.164 169.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.0 -48.59 87.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 123.455 0.702 . . . . 61.41 109.93 172.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.43 HG13 ' OH ' ' A' ' 44' ' ' TYR . 55.0 t -55.97 -43.58 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.78 0.832 . . . . 73.11 111.565 178.275 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.6 80.72 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.452 0.701 . . . . 72.11 111.874 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.458 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.7 ptm -75.53 -23.04 56.6 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.619 -0.264 . . . . 62.32 110.922 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.9 -46.1 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 108.635 -0.876 . . . . 62.1 108.635 169.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -56.92 -42.6 80.28 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.601 0.76 . . . . 64.22 111.729 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 22' ' ' MET . 7.5 pt-20 -69.11 -46.0 68.79 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 109.457 -0.571 . . . . 62.22 109.457 -178.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.43 -31.91 73.21 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 123.189 0.596 . . . . 72.3 111.507 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.44 -56.52 6.42 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.002 -0.545 . . . . 65.43 109.624 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.58 -36.21 82.08 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.892 0.477 . . . . 75.33 111.636 -168.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.8 p -83.13 -39.64 20.82 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.098 0.559 . . . . 60.53 111.544 -175.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -105.3 -58.13 1.94 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.833 0.453 . . . . 70.22 111.371 -172.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 35' ' ' VAL . 47.9 mm -75.57 -59.95 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 115.864 -0.607 . . . . 62.11 110.666 -164.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.458 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 69.6 mtp180 -46.78 -52.71 30.27 Favored Pre-proline 0 N--CA 1.487 1.376 0 CA-C-O 117.403 -1.284 . . . . 75.51 112.479 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 64.0 Cg_exo -53.96 -43.75 55.39 Favored 'Trans proline' 0 C--N 1.394 2.967 0 C-N-CA 122.58 2.186 . . . . 74.51 113.201 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -60.74 -45.55 93.85 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.671 0.788 . . . . 55.0 111.214 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 31' ' ' ILE . 22.0 t -72.86 -29.64 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.311 0.644 . . . . 75.11 111.042 -178.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 76.2 mt-30 -71.69 -38.01 70.64 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.269 0.628 . . . . 64.21 110.513 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.07 -42.2 97.08 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.356 0.662 . . . . 74.5 109.86 170.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.1 -22.11 66.9 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.444 1.098 . . . . 74.32 111.505 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.35 -30.88 3.23 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-O 119.907 -0.385 . . . . 54.25 112.815 171.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -105.35 -137.92 9.17 Favored Glycine 0 C--N 1.342 0.885 0 CA-C-N 116.821 0.311 . . . . 35.44 113.291 -175.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -174.01 159.05 3.24 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 124.631 1.172 . . . . 75.51 108.525 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.8 m -120.75 124.5 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.513 -0.921 . . . . 34.32 108.513 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.3 mp -114.18 122.75 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.173 -1.047 . . . . 75.1 108.173 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.43 ' OH ' HG13 ' A' ' 20' ' ' VAL . 85.3 t80 -67.97 113.45 5.68 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.362 0.665 . . . . 74.2 109.91 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 11.4 mmpt? -94.28 -41.66 9.34 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.223 0.609 . . . . 65.24 110.582 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.08 -178.45 48.28 Favored Glycine 0 C--N 1.351 1.388 0 C-N-CA 120.805 -0.712 . . . . 41.53 114.353 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -156.11 112.66 3.12 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.38 -1.341 . . . . 71.52 107.38 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -129.33 142.65 50.77 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 107.82 -1.178 . . . . 70.35 107.82 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 62.08 -84.93 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.47 1.108 . . . . 60.51 109.665 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.58 9.9 0.41 Allowed Glycine 0 C--N 1.338 0.694 0 C-N-CA 123.736 0.684 . . . . 75.13 112.061 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.4 mm -99.49 117.23 44.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 123.403 0.681 . . . . 75.21 109.448 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.532 ' HB ' HG22 ' A' ' 88' ' ' VAL . 21.5 t -85.88 108.37 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 108.478 -0.934 . . . . 64.14 108.478 176.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -84.77 114.74 22.28 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.522 -0.547 . . . . 65.0 109.522 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.54 135.28 53.04 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.3 1.04 . . . . 75.31 110.306 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -88.64 131.82 34.82 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.813 0.845 . . . . 64.51 108.834 173.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.401 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 41.4 mt -101.21 141.43 34.11 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.695 -0.483 . . . . 65.12 109.695 175.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -97.05 174.9 6.52 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.802 0.841 . . . . 71.24 110.275 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.24 159.97 7.81 Favored Glycine 0 C--N 1.361 1.921 0 O-C-N 124.199 0.937 . . . . 45.34 113.832 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.3 m 76.39 -57.1 0.56 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 125.705 1.602 . . . . 51.51 110.286 -169.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.5 m -68.83 -38.62 79.98 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.692 0.797 . . . . 75.13 111.859 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.455 ' HA ' HG12 ' A' ' 67' ' ' ILE . 8.3 t -95.69 4.26 53.17 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.208 0.603 . . . . 50.01 111.39 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -76.82 -46.44 24.88 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 122.93 0.492 . . . . 54.04 111.514 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.6 p -112.74 128.51 25.48 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 123.934 0.894 . . . . 74.23 109.862 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -54.38 -25.59 40.21 Favored 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.797 2.998 . . . . 74.44 114.385 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 t -58.16 -48.23 80.93 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 123.823 0.849 . . . . 75.13 110.434 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -72.83 -37.02 67.59 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.31 -0.859 . . . . 74.01 111.287 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.455 HG12 ' HA ' ' A' ' 61' ' ' THR . 66.9 mt -57.6 -55.25 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 123.86 0.864 . . . . 74.43 111.726 -178.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.7 mt -67.71 -49.13 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 115.436 -0.802 . . . . 51.12 110.739 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.1 m -66.36 -35.8 81.28 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.15 0.58 . . . . 63.51 112.182 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 74' ' ' ILE . 40.5 tp -65.58 -53.93 34.97 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.384 -0.598 . . . . 65.54 109.384 176.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -55.01 -40.25 69.95 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 124.22 0.95 . . . . 65.33 111.791 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -71.01 -42.64 69.33 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.336 0.655 . . . . 74.12 111.147 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.85 -45.3 96.03 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 112.34 -0.304 . . . . 72.43 112.34 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 70' ' ' LEU . 64.1 mt -60.77 -44.52 97.57 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 C-N-CA 124.23 1.012 . . . . 75.23 109.831 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -57.67 -54.4 47.32 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.414 1.071 . . . . 72.24 111.009 -177.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -64.22 -33.4 75.71 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.438 0.461 . . . . 73.43 111.73 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -67.92 -45.81 73.31 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.886 0.374 . . . . 63.05 110.529 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.565 ' HB3' HG21 ' A' ' 85' ' ' VAL . 81.8 mt -67.12 -29.06 68.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.386 0.674 . . . . 72.21 111.437 177.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.7 mt-30 -81.59 -23.8 36.88 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.589 0.756 . . . . 65.05 111.625 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.28 -39.57 93.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.01 0.924 . . . . 74.22 109.91 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -91.73 -43.85 9.33 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.994 -1.003 . . . . 73.33 111.903 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.458 HD11 ' HG3' ' A' ' 22' ' ' MET . 33.2 mt -125.18 108.45 27.39 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 123.542 0.737 . . . . 71.11 109.953 -167.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.79 -12.73 35.3 Favored 'Trans proline' 0 C--N 1.369 1.61 0 C-N-CA 122.65 2.234 . . . . 72.24 112.682 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -70.05 -26.25 63.94 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.484 0.714 . . . . 62.05 110.815 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 78' ' ' LEU . 91.8 t -71.1 101.34 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 108.388 -0.968 . . . . 74.52 108.388 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -85.0 -26.33 27.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.019 -0.991 . . . . 73.32 110.324 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.11 178.88 46.69 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 115.711 -0.677 . . . . 62.22 112.263 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 52' ' ' VAL . 74.1 t -131.91 146.65 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.739 1.216 . . . . 72.41 108.058 174.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -127.26 143.2 51.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.164 0.586 . . . . 64.31 110.062 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.401 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 6.0 tt0 -84.26 117.18 23.38 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 108.04 -1.096 . . . . 71.41 108.04 170.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.242 0.663 0 CA-C-O 121.624 0.726 . . . . 64.12 109.972 177.097 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 CA--C 1.539 0.535 0 CA-C-O 119.37 -0.348 . . . . 62.31 111.515 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.96 -56.18 6.65 Favored Glycine 0 C--N 1.354 1.552 0 N-CA-C 112.094 -0.403 . . . . 64.3 112.094 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.93 -44.26 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.593 0.757 . . . . 72.43 110.43 174.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.422 HG12 ' HE3' ' A' ' 24' ' ' LYS . 73.7 t -60.78 -43.17 94.74 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 123.85 0.86 . . . . 71.23 111.481 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.58 87.73 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.128 0.571 . . . . 54.21 111.721 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.0 ptm -76.25 -26.19 55.73 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 111.636 0.235 . . . . 62.4 111.636 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.411 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 85.0 mt -65.76 -49.43 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.578 -0.897 . . . . 72.31 108.578 169.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HE3' HG12 ' A' ' 20' ' ' VAL . 98.3 mttt -54.08 -42.13 68.97 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.068 0.947 . . . . 72.13 112.008 179.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -73.36 -41.85 62.92 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-O 119.005 -0.521 . . . . 50.41 110.385 -177.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.66 -32.8 73.93 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 122.962 0.505 . . . . 71.42 111.471 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 77.7 mt -68.88 -54.53 15.11 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.878 -0.601 . . . . 64.33 109.526 172.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -63.51 -29.29 70.58 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.556 1.142 . . . . 74.04 112.793 -171.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -90.44 -46.7 8.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.288 0.635 . . . . 53.53 111.674 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 26.1 mtp180 -98.93 -56.09 2.53 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.766 0.426 . . . . 65.42 111.28 -173.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -76.19 -61.77 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 118.962 -0.542 . . . . 73.43 110.983 -164.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -49.17 -49.62 68.62 Favored Pre-proline 0 CA--C 1.557 1.248 0 CA-C-O 117.399 -1.286 . . . . 75.33 113.342 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.442 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 66.1 Cg_exo -54.02 -46.82 30.74 Favored 'Trans proline' 0 C--N 1.399 3.203 0 C-N-CA 122.128 1.886 . . . . 63.31 112.592 176.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.8 m -64.22 -43.38 95.15 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.074 0.95 . . . . 45.13 111.75 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.55 HG13 ' SG ' ' A' ' 60' ' ' CYS . 61.6 t -74.52 -32.03 29.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 123.922 0.889 . . . . 65.41 111.233 -176.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.0 -22.68 52.73 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.157 0.583 . . . . 64.24 111.148 176.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 26.4 mm-40 -78.34 -31.07 48.48 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.371 -0.603 . . . . 72.33 109.371 169.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -72.42 -24.15 61.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.378 0.671 . . . . 71.33 110.454 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.41 -19.75 6.67 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 116.424 -0.353 . . . . 41.11 113.394 174.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.23 -145.92 16.08 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-O 120.129 -0.262 . . . . 64.31 113.289 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -172.39 162.01 5.3 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.905 1.282 . . . . 72.23 108.726 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.9 m -120.76 122.04 66.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 N-CA-C 108.076 -1.083 . . . . 75.01 108.076 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.476 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.7 mp -106.51 123.32 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 107.339 -1.356 . . . . 62.11 107.339 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -67.62 119.88 13.1 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 109.561 -0.533 . . . . 75.2 109.561 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.626 ' HD2' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -109.21 -43.57 4.12 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.543 0.737 . . . . 64.55 111.486 -174.526 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.89 178.93 41.48 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 114.277 0.471 . . . . 62.41 114.277 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -157.78 112.96 2.72 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.868 1.267 . . . . 73.12 107.978 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -126.63 104.48 8.13 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.89 -0.411 . . . . 63.24 109.89 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 65.04 10.27 6.16 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.434 1.093 . . . . 72.21 112.875 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.79 -17.03 6.44 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-O 120.105 -0.275 . . . . 71.03 113.627 -176.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.8 mm -86.92 101.54 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 109.325 -0.62 . . . . 73.51 109.325 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.491 HG21 HD13 ' A' ' 78' ' ' LEU . 50.5 t -78.71 116.23 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.242 1.017 . . . . 72.13 108.45 177.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -105.2 120.11 40.71 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.793 -0.447 . . . . 74.2 109.793 -174.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.4 mt -126.81 143.76 51.16 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.817 1.247 . . . . 74.14 109.889 -173.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.626 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . 87.7 tttt -87.22 105.78 17.45 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.984 -1.117 . . . . 73.31 107.984 173.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.6 mt -86.75 126.42 34.58 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.71 -1.218 . . . . 75.22 107.71 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -94.39 168.07 11.12 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.316 0.646 . . . . 44.23 111.161 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.54 161.75 9.1 Favored Glycine 0 C--N 1.36 1.881 0 O-C-N 124.192 0.932 . . . . 64.22 113.969 -178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.6 t 78.16 -41.74 0.33 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 125.895 1.678 . . . . 65.51 111.385 -172.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.55 ' SG ' HG13 ' A' ' 35' ' ' VAL . 58.2 m -85.47 -13.25 49.74 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.506 0.722 . . . . 71.35 111.561 176.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.8 p -107.16 24.57 12.61 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.275 1.03 . . . . 54.13 111.86 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -67.29 92.38 0.28 Allowed 'General case' 0 CA--C 1.546 0.825 0 O-C-N 123.466 0.479 . . . . 74.45 110.32 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 59.6 m 74.69 152.61 0.14 Allowed Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 125.266 1.426 . . . . 72.24 111.074 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -53.14 -26.05 31.71 Favored 'Trans proline' 0 C--N 1.394 2.948 0 C-N-CA 123.381 2.721 . . . . 75.5 114.35 -177.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.8 t -58.47 -57.42 13.02 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.275 0.63 . . . . 64.45 110.677 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -62.19 -35.71 79.68 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.328 0.651 . . . . 71.03 112.132 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.22 -54.51 33.92 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 C-N-CA 123.941 0.896 . . . . 71.43 111.111 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.6 mt -69.19 -37.12 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 123.736 0.814 . . . . 74.3 111.219 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.1 m -66.67 -42.6 86.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.387 0.675 . . . . 73.32 111.03 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.32 -46.78 82.04 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.775 0.672 . . . . 55.22 109.646 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.43 -40.3 78.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.382 1.473 . . . . 53.33 111.052 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -76.65 -33.98 58.29 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.681 0.792 . . . . 54.14 111.71 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.04 -45.5 95.97 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.521 -0.632 . . . . 45.43 111.521 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.81 -39.26 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 C-N-CA 124.245 1.018 . . . . 73.21 110.0 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.537 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 33.0 tt0 -56.64 -61.5 2.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.375 1.07 . . . . 73.14 111.122 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -66.94 -30.13 70.18 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 123.522 0.514 . . . . 64.25 111.727 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.436 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 35.1 ttp -64.04 -51.98 61.6 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 110.055 -0.35 . . . . 72.44 110.055 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.524 ' HB3' HG21 ' A' ' 85' ' ' VAL . 96.4 mt -65.3 -39.03 91.97 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 123.341 0.657 . . . . 75.02 111.233 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -67.51 -30.86 70.64 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.454 0.701 . . . . 65.22 111.947 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.25 -46.11 90.3 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.657 0.783 . . . . 61.15 110.229 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -87.75 -34.67 18.26 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.05 0.54 . . . . 61.31 111.607 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mt -123.13 107.68 32.7 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.7 1.2 . . . . 73.32 108.843 -168.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.66 -4.03 14.78 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 122.389 2.06 . . . . 65.23 112.455 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -78.36 -27.62 46.98 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.669 0.788 . . . . 61.23 111.278 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 78' ' ' LEU . 99.4 t -73.11 117.51 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 C-N-CA 123.287 0.635 . . . . 74.55 110.692 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -83.89 -35.09 24.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.926 1.29 . . . . 72.55 110.285 173.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.537 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 178.7 -167.46 37.87 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 115.562 -0.745 . . . . 74.45 112.106 -178.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.414 HG22 ' HB ' ' A' ' 52' ' ' VAL . 87.5 t -131.19 161.28 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 N-CA-C 107.849 -1.167 . . . . 72.22 107.849 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.28 145.84 31.42 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.36 0.664 . . . . 72.53 109.39 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -84.02 119.26 24.72 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.46 -0.941 . . . . 53.53 108.46 170.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.46 HG23 ' HG3' ' A' ' 45' ' ' LYS . 5.2 m . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 108.647 -0.872 . . . . 64.22 108.647 170.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 119.523 -0.275 . . . . 72.11 111.106 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.23 -34.22 88.48 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 123.372 0.42 . . . . 61.31 112.882 171.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 23' ' ' ILE . 95.3 t -60.29 -51.08 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.181 0.592 . . . . 72.13 109.625 171.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.514 HG12 ' HE3' ' A' ' 24' ' ' LYS . 90.3 t -58.6 -40.81 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 124.394 1.078 . . . . 61.13 110.852 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.04 82.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.872 0.869 . . . . 62.41 111.593 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.581 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.6 ptm -79.19 -22.65 44.63 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 119.357 -0.354 . . . . 61.13 111.41 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 19' ' ' VAL . 89.2 mt -67.81 -41.06 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 108.999 -0.741 . . . . 72.34 108.999 170.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.514 ' HE3' HG12 ' A' ' 20' ' ' VAL . 99.5 mttt -52.5 -44.0 65.4 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.387 0.675 . . . . 55.55 111.679 177.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.54 -38.72 54.62 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 119.046 -0.502 . . . . 64.31 110.178 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 -28.85 70.29 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 118.401 0.546 . . . . 74.21 111.502 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.03 -55.59 6.3 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 109.06 -0.719 . . . . 75.14 109.06 171.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.84 -32.02 73.52 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.353 0.661 . . . . 64.44 112.31 -168.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -86.87 -38.22 16.96 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.385 0.674 . . . . 54.32 111.338 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.456 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 22.9 mtp-105 -108.42 -58.46 1.99 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 111.847 0.314 . . . . 75.25 111.847 -173.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 35' ' ' VAL . 47.8 mm -76.69 -58.3 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.117 0.567 . . . . 62.31 111.751 -166.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -48.59 -50.49 58.88 Favored Pre-proline 0 CA--C 1.56 1.353 0 CA-C-O 117.481 -1.247 . . . . 74.31 112.842 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.72 -37.87 84.41 Favored 'Trans proline' 0 C--N 1.398 3.153 0 C-N-CA 122.216 1.944 . . . . 51.31 113.181 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.9 m -69.47 -49.46 54.65 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.76 0.824 . . . . 72.24 111.421 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' ILE . 14.6 t -71.35 -31.14 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 123.134 0.574 . . . . 61.41 110.809 -174.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -69.02 -27.83 66.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.307 0.643 . . . . 61.12 111.21 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.27 -36.24 68.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.47 0.308 . . . . 63.32 110.173 170.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.04 -19.88 60.48 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.248 0.619 . . . . 71.42 111.303 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.62 3.96 28.54 Favored Glycine 0 C--N 1.344 1.012 0 CA-C-O 119.832 -0.427 . . . . 70.04 113.259 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.92 -152.43 9.19 Favored Glycine 0 N--CA 1.472 1.092 0 C-N-CA 123.364 0.507 . . . . 44.1 112.314 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.411 ' N ' ' HB2' ' A' ' 57' ' ' GLN . 26.5 t70 -172.69 163.21 5.16 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.478 1.111 . . . . 64.22 108.744 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.26 119.22 57.79 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 CA-C-O 121.347 0.594 . . . . 72.5 109.47 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.57 128.92 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.764 -1.198 . . . . 65.54 107.764 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.22 123.44 27.42 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 109.302 -0.629 . . . . 71.41 109.302 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -104.43 -47.79 4.01 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.964 0.906 . . . . 73.2 111.729 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.97 -179.9 47.59 Favored Glycine 0 N--CA 1.477 1.372 0 C-N-CA 120.618 -0.801 . . . . 43.02 114.144 -176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -151.41 117.9 5.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.965 0.906 . . . . 64.51 109.019 -175.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -143.67 142.22 30.9 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.113 0.565 . . . . 72.23 109.821 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 63.74 -77.99 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.34 1.456 . . . . 75.11 110.606 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.88 13.24 0.16 Allowed Glycine 0 C--N 1.338 0.641 0 N-CA-C 111.147 -0.781 . . . . 61.32 111.147 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.9 mm -103.65 119.93 52.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 123.179 0.592 . . . . 65.21 109.752 -172.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.479 HG21 HD13 ' A' ' 78' ' ' LEU . 28.1 t -86.86 101.51 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 108.753 -0.832 . . . . 72.43 108.753 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -79.93 114.13 18.61 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.101 0.56 . . . . 72.23 110.013 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -123.31 135.57 54.27 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.836 1.254 . . . . 72.33 109.974 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 85.8 tttt -88.74 110.16 20.76 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.527 -0.545 . . . . 75.11 109.527 173.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.449 HD12 HG23 ' A' ' 67' ' ' ILE . 42.1 mt -85.19 140.6 30.78 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.533 -0.914 . . . . 74.41 108.533 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.411 ' HB2' ' N ' ' A' ' 41' ' ' ASP . 78.8 mm-40 -96.05 175.88 6.31 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.472 0.709 . . . . 70.33 110.889 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.79 171.59 0.8 Allowed Glycine 0 C--N 1.357 1.697 0 O-C-N 124.144 0.902 . . . . 72.4 115.342 -175.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m 74.11 -61.97 0.48 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.528 1.531 . . . . 42.1 110.229 -171.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.4 m -62.49 -42.93 99.83 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.614 0.766 . . . . 71.24 111.035 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.404 HG22 ' NE2' ' A' ' 90' ' ' GLN . 71.4 p -77.39 -18.75 57.04 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.532 0.733 . . . . 71.12 112.382 -178.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -73.58 -11.36 60.41 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.44 0.696 . . . . 75.05 111.385 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 66' ' ' SER . 1.6 p -132.86 106.79 12.68 Favored Pre-proline 0 CA--C 1.563 1.457 0 C-N-CA 124.517 1.127 . . . . 73.21 109.126 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.428 ' HA ' HD12 ' A' ' 67' ' ' ILE . 51.7 Cg_exo -55.91 -38.57 94.41 Favored 'Trans proline' 0 C--N 1.388 2.612 0 C-N-CA 123.969 3.113 . . . . 54.13 115.363 -171.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 m -70.48 -33.89 71.76 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 117.705 0.23 . . . . 60.35 110.741 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.443 ' HB3' ' SG ' ' A' ' 63' ' ' CYS . 19.5 t -68.5 -31.6 70.99 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.071 0.548 . . . . 54.13 110.839 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.449 HG23 HD12 ' A' ' 56' ' ' LEU . 78.3 mt -57.23 -53.11 47.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.947 0 C-N-CA 123.755 0.822 . . . . 62.41 110.072 171.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.03 -46.92 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-N 114.698 -1.137 . . . . 74.52 110.563 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.5 m -65.05 -40.63 95.04 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.806 0.843 . . . . 74.45 111.503 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.71 -50.61 70.45 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.127 0.571 . . . . 74.4 109.897 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -38.89 72.2 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.155 1.382 . . . . 73.44 111.292 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -68.23 -39.9 82.17 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.792 0.837 . . . . 71.31 111.419 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.75 -46.03 92.94 Favored Glycine 0 C--N 1.346 1.086 0 O-C-N 123.431 0.457 . . . . 42.11 112.27 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.44 -42.92 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.069 0.947 . . . . 60.03 109.885 176.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.89 -55.86 28.02 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.957 -1.02 . . . . 71.35 111.272 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.64 -32.14 72.28 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.713 0.805 . . . . 74.45 111.349 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.456 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 45.6 ttp -62.64 -54.85 33.26 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.068 0.547 . . . . 74.11 110.158 171.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.534 ' HB3' HG21 ' A' ' 85' ' ' VAL . 83.6 mt -66.46 -27.55 67.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.044 0.937 . . . . 73.42 112.321 -175.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 97.7 mt-30 -81.32 -26.6 35.51 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.197 0.599 . . . . 65.14 111.216 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.96 -39.51 83.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 122.905 0.482 . . . . 74.43 109.936 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -86.82 -65.7 0.99 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.974 -0.557 . . . . 75.13 110.471 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.581 HD11 ' HG3' ' A' ' 22' ' ' MET . 46.3 mt -97.85 118.02 64.46 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 124.45 1.1 . . . . 62.23 110.873 -173.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 82' ' ' ILE . 7.6 Cg_exo -73.67 -14.5 24.54 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 123.074 2.516 . . . . 65.52 113.221 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.41 -27.66 64.45 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.218 0.607 . . . . 61.54 110.953 -176.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 78' ' ' LEU . 57.5 t -72.12 99.53 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 123.587 0.755 . . . . 73.0 110.482 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.96 -28.34 57.87 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 123.741 0.816 . . . . 63.23 110.64 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.2 -176.39 43.44 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 116.328 -0.396 . . . . 71.3 113.058 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.462 HG22 ' HB ' ' A' ' 52' ' ' VAL . 63.1 t -129.28 148.85 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.958 1.303 . . . . 64.2 107.981 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -130.15 142.5 50.58 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.18 0.592 . . . . 73.42 109.826 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.404 ' NE2' HG22 ' A' ' 61' ' ' THR . 42.6 tt0 -85.8 116.31 23.97 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.525 -0.917 . . . . 51.04 108.525 169.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 13.3 m . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 108.5 -0.926 . . . . 72.43 108.5 171.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 19.7 t70 . . . . . 0 CA--C 1.548 0.883 0 CA-C-O 120.476 0.179 . . . . 72.0 110.739 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.11 -43.98 96.42 Favored Glycine 0 C--N 1.349 1.285 0 N-CA-C 111.59 -0.604 . . . . 64.53 111.59 170.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 23' ' ' ILE . 76.3 t -60.5 -50.73 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.819 0.847 . . . . 71.24 109.507 172.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 64.7 t -58.16 -39.46 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.705 1.202 . . . . 63.43 112.194 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.26 -42.25 69.01 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.36 0.664 . . . . 71.31 110.974 -175.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.606 ' HG3' HD11 ' A' ' 82' ' ' ILE . 25.2 ptm -73.26 -23.98 60.39 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 119.057 -0.497 . . . . 61.14 110.969 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 19' ' ' VAL . 81.1 mt -64.09 -48.81 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 108.722 -0.844 . . . . 63.33 108.722 169.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -52.5 -45.03 66.03 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.964 0.905 . . . . 74.43 111.868 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.35 -38.94 55.17 Favored 'General case' 0 C--O 1.207 -1.145 0 CA-C-O 118.948 -0.549 . . . . 71.34 110.583 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.72 -28.89 70.19 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 118.355 0.525 . . . . 61.33 110.86 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -74.82 -54.91 6.45 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.225 -0.657 . . . . 65.33 109.225 171.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.97 -26.4 68.82 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.731 0.812 . . . . 74.01 112.858 -171.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.0 p -91.4 -52.33 4.84 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.651 0.78 . . . . 60.42 110.477 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -91.11 -49.85 6.17 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.54 0.57 . . . . 73.32 112.54 -169.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.8 mm -89.61 -59.09 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.023 0.529 . . . . 73.43 112.26 -168.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.428 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 50.1 mtp180 -49.53 -54.08 34.4 Favored Pre-proline 0 N--CA 1.49 1.552 0 CA-C-O 117.676 -1.154 . . . . 75.13 113.186 -173.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 44.3 Cg_exo -57.96 -37.12 97.27 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 121.939 1.759 . . . . 63.54 112.529 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.9 m -63.18 -46.74 85.7 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.827 0.851 . . . . 73.14 110.966 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.2 t -73.04 -27.67 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 116.1 -0.5 . . . . 62.14 110.325 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -72.8 -30.06 63.77 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.113 0.565 . . . . 75.23 111.411 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -78.12 -26.22 47.81 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.914 0.486 . . . . 63.22 110.028 171.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -72.65 -22.56 60.91 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.642 0.777 . . . . 41.24 110.663 170.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.03 -24.42 10.75 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 116.22 -0.445 . . . . 42.53 112.899 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.09 -153.46 29.88 Favored Glycine 0 C--N 1.348 1.218 0 N-CA-C 112.189 -0.364 . . . . 73.31 112.189 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.459 ' HB3' ' HG3' ' A' ' 57' ' ' GLN . 21.9 t0 -173.13 159.39 3.89 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.987 0.915 . . . . 72.51 109.215 177.127 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 m -125.77 126.09 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 107.631 -1.248 . . . . 72.32 107.631 176.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -116.69 126.51 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 108.351 -0.981 . . . . 72.11 108.351 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' OH ' HG13 ' A' ' 20' ' ' VAL . 84.0 t80 -67.46 114.25 5.98 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 122.656 0.382 . . . . 71.42 110.304 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.466 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 9.4 mmpt? -97.92 -43.16 7.21 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.638 0.775 . . . . 72.11 111.612 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.37 -176.57 41.97 Favored Glycine 0 C--N 1.349 1.285 0 C-N-CA 120.756 -0.735 . . . . 61.33 114.586 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -156.26 110.96 2.84 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.927 1.291 . . . . 74.21 107.618 176.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -139.41 124.61 18.95 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.979 0.512 . . . . 74.24 109.892 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 57.51 33.0 22.69 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.912 1.285 . . . . 72.55 111.885 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.53 2.3 82.46 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.594 -0.73 . . . . 62.33 113.963 178.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.4 mm -101.91 114.27 40.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.353 0.661 . . . . 70.12 109.955 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.532 ' HB ' HG22 ' A' ' 88' ' ' VAL . 33.1 t -81.7 110.33 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.783 0.833 . . . . 64.24 109.324 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.557 ' HB3' HG21 ' A' ' 91' ' ' VAL . 79.5 mt-30 -86.55 121.05 28.55 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.335 0.654 . . . . 74.13 109.853 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.6 mt -130.46 137.7 49.92 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.863 0.865 . . . . 75.44 111.47 -175.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -90.94 109.65 20.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.103 0.961 . . . . 74.31 109.523 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD12 HG23 ' A' ' 67' ' ' ILE . 30.7 mt -90.86 140.58 29.67 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.234 -0.654 . . . . 73.31 109.234 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.459 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 83.6 mm-40 -102.04 165.69 11.03 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.241 0.616 . . . . 71.22 112.287 -175.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.49 84.41 0.08 OUTLIER Glycine 0 C--N 1.356 1.643 0 CA-C-N 115.237 -0.892 . . . . 63.43 114.306 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t 176.56 -55.38 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.615 1.566 . . . . 54.11 107.924 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.3 p -75.32 -9.66 58.76 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.649 -1.16 . . . . 41.53 110.781 173.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -99.46 -1.93 37.31 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.231 1.013 . . . . 71.44 112.682 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.1 m -61.48 -21.8 64.51 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.308 0.855 . . . . 63.04 113.308 -171.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.3 p -146.34 148.37 34.28 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 123.397 0.679 . . . . 72.42 109.337 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.57 -27.31 81.61 Favored 'Trans proline' 0 C--N 1.385 2.468 0 C-N-CA 122.378 2.052 . . . . 73.52 111.77 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 m -56.72 -54.22 48.78 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.802 0.841 . . . . 64.34 111.382 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.9 p -68.19 -36.08 79.01 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.201 0.6 . . . . 73.12 111.937 -176.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 56' ' ' LEU . 76.1 mt -54.22 -53.77 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.536 0.735 . . . . 71.13 110.584 175.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.35 -41.1 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.016 -0.993 . . . . 74.41 110.954 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.2 m -64.07 -44.86 91.12 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.277 0.631 . . . . 74.4 111.537 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.18 -50.47 73.53 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.184 0.594 . . . . 73.13 109.843 174.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -34.78 69.37 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.691 1.196 . . . . 75.22 112.005 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -75.85 -42.0 50.82 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.403 0.681 . . . . 71.04 111.491 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.46 -40.76 99.17 Favored Glycine 0 C--N 1.347 1.193 0 N-CA-C 111.83 -0.508 . . . . 43.33 111.83 178.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.2 -45.2 99.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.938 0.895 . . . . 75.24 110.54 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -60.63 -47.54 85.75 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.636 0.585 . . . . 74.21 111.13 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -61.95 -39.58 92.61 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.585 0.754 . . . . 73.55 111.22 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.6 ttp -61.12 -55.91 26.98 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.708 0.63 . . . . 71.22 110.205 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.593 ' HB3' HG21 ' A' ' 85' ' ' VAL . 95.9 mt -64.15 -32.58 74.21 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.693 0.797 . . . . 71.1 111.839 -176.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -68.39 -32.4 72.45 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.904 0.481 . . . . 74.54 111.362 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.63 -45.89 84.91 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.475 0.485 . . . . 73.41 110.681 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -83.56 -27.84 29.0 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.74 -0.664 . . . . 71.44 111.32 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.606 HD11 ' HG3' ' A' ' 22' ' ' MET . 81.5 mt -141.71 112.15 6.37 Favored Pre-proline 0 N--CA 1.484 1.267 0 C-N-CA 123.884 0.874 . . . . 54.1 110.023 -168.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.28 -11.65 22.95 Favored 'Trans proline' 0 C--N 1.372 1.816 0 C-N-CA 122.332 2.021 . . . . 71.43 112.755 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.89 -28.54 66.78 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.548 0.739 . . . . 74.22 111.109 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 78' ' ' LEU . 84.0 t -71.61 104.84 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 109.343 -0.614 . . . . 72.12 109.343 176.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -91.81 -31.6 15.68 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.281 1.033 . . . . 72.43 110.459 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.96 175.05 38.5 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 116.094 -0.503 . . . . 72.5 112.379 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 52' ' ' VAL . 82.9 t -131.58 142.81 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 108.152 -1.055 . . . . 71.25 108.152 173.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -124.75 143.06 50.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.267 1.027 . . . . 75.24 109.335 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -84.3 124.94 31.79 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.424 -0.954 . . . . 64.44 108.424 170.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 53' ' ' GLN . 6.2 m . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 124.141 0.977 . . . . 64.22 108.733 172.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 CA--C 1.55 0.976 0 CA-C-O 119.785 -0.15 . . . . 73.4 110.64 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.36 -57.14 19.63 Favored Glycine 0 C--N 1.361 1.917 0 N-CA-C 113.901 0.32 . . . . 75.32 113.901 -172.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 23' ' ' ILE . 75.6 t -64.69 -39.18 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 117.095 0.447 . . . . 65.14 109.942 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.495 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 63.9 t -57.63 -38.64 65.47 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 123.951 0.901 . . . . 74.14 110.486 178.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.56 87.07 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.353 1.061 . . . . 72.31 112.069 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.441 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 24.2 ptm -72.78 -27.06 61.77 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.044 0.137 . . . . 73.04 111.188 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 19' ' ' VAL . 64.9 mt -65.98 -39.86 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 109.371 -0.603 . . . . 74.32 109.371 173.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 92.1 mttt -52.36 -46.23 66.08 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.45 0.7 . . . . 70.23 111.524 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 22' ' ' MET . 10.2 pt-20 -72.59 -46.02 56.33 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.579 0.55 . . . . 63.42 109.668 -176.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.42 -32.29 71.2 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.242 0.617 . . . . 75.03 111.555 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.6 mt -72.3 -54.99 7.9 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 109.633 -0.506 . . . . 72.22 109.633 173.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.8 -24.42 66.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.488 0.715 . . . . 71.54 112.558 -170.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.9 p -91.92 -52.95 4.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.788 0.835 . . . . 62.21 111.359 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.423 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 49.2 mtp180 -89.17 -50.81 5.92 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.878 0.471 . . . . 73.13 111.94 -173.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.7 mm -85.89 -65.17 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-O 118.801 -0.618 . . . . 74.01 111.53 -167.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 48.9 mtp180 -43.23 -56.27 6.83 Favored Pre-proline 0 N--CA 1.487 1.386 0 CA-C-O 117.313 -1.327 . . . . 54.33 113.442 -173.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 46.3 Cg_exo -56.91 -39.83 88.54 Favored 'Trans proline' 0 C--N 1.406 3.553 0 C-N-CA 122.304 2.002 . . . . 65.03 112.256 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.4 m -65.53 -44.11 87.91 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.81 0.844 . . . . 62.32 110.439 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 31' ' ' ILE . 14.1 t -70.66 -31.01 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.08 0.552 . . . . 64.31 110.518 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -67.14 -36.46 81.9 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.598 0.759 . . . . 71.45 110.815 176.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -73.26 -28.75 62.31 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.441 0.696 . . . . 72.03 110.632 173.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.04 -22.73 58.23 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.864 0.865 . . . . 72.14 111.179 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.68 -5.98 26.1 Favored Glycine 0 N--CA 1.473 1.139 0 CA-C-O 119.835 -0.425 . . . . 43.02 113.46 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.45 -151.59 14.07 Favored Glycine 0 N--CA 1.474 1.178 0 N-CA-C 111.473 -0.651 . . . . 65.22 111.473 173.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -174.7 162.32 3.3 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.659 1.183 . . . . 71.34 108.695 172.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG12 HD22 ' A' ' 56' ' ' LEU . 17.7 m -123.22 127.66 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 N-CA-C 107.653 -1.24 . . . . 73.41 107.653 176.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -119.06 128.6 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 107.754 -1.202 . . . . 64.4 107.754 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.62 123.75 25.42 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 109.554 -0.535 . . . . 73.22 109.554 -176.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.468 ' HA ' ' NZ ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -116.77 -33.29 4.85 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.787 0.835 . . . . 74.15 112.167 -172.558 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.23 176.65 48.13 Favored Glycine 0 C--N 1.347 1.15 0 C-N-CA 121.38 -0.438 . . . . 71.25 112.98 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -151.88 111.08 3.9 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.607 -1.257 . . . . 71.13 107.607 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -140.45 122.26 15.42 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.826 0.451 . . . . 62.14 110.337 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 64.97 20.13 12.03 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.781 1.232 . . . . 73.31 111.819 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.69 -3.06 57.39 Favored Glycine 0 C--N 1.344 1.005 0 CA-C-N 115.566 -0.743 . . . . 52.4 113.329 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.1 mm -96.07 109.85 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.139 0.576 . . . . 75.12 110.035 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.548 ' HB ' HG22 ' A' ' 88' ' ' VAL . 48.7 t -77.94 106.02 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.574 -0.899 . . . . 52.32 108.574 177.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -91.95 116.76 29.19 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.702 0.801 . . . . 74.21 110.04 -174.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -126.09 138.21 53.68 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.719 1.208 . . . . 70.45 110.438 -173.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -86.54 114.15 23.04 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.221 -1.029 . . . . 64.12 108.221 172.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.483 HD13 HD23 ' A' ' 70' ' ' LEU . 35.9 mt -93.53 137.98 32.26 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.238 -0.653 . . . . 74.32 109.238 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -96.38 167.6 11.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.787 0.835 . . . . 64.4 111.692 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.42 169.97 2.77 Favored Glycine 0 C--N 1.359 1.819 0 O-C-N 124.337 1.023 . . . . 22.22 115.212 -174.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.5 m 77.63 -58.79 0.47 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.796 1.638 . . . . 54.53 110.525 -173.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.71 ' SG ' HD22 ' A' ' 70' ' ' LEU . 39.1 t -68.41 -32.27 72.2 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.203 0.601 . . . . 72.11 110.885 176.116 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.409 ' HA ' HG12 ' A' ' 67' ' ' ILE . 64.8 p -82.16 -23.91 35.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.333 0.653 . . . . 60.14 111.79 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.9 m -64.66 -23.04 67.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.592 0.757 . . . . 73.33 111.428 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.1 m -115.8 114.33 41.92 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.058 0.943 . . . . 54.34 108.95 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.13 -34.8 88.83 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.032 2.488 . . . . 74.44 113.233 -174.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -70.27 -30.08 67.02 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.03 0.532 . . . . 75.44 111.148 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.0 m -71.28 -31.27 67.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.749 0.42 . . . . 33.52 111.456 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.409 HG12 ' HA ' ' A' ' 61' ' ' THR . 38.8 mt -63.7 -43.25 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 109.45 -0.574 . . . . 74.31 109.45 173.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.48 -56.41 17.88 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 C-N-CA 123.59 0.756 . . . . 55.22 110.56 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 m -59.49 -40.72 87.9 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.575 0.75 . . . . 72.24 111.217 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.71 HD22 ' SG ' ' A' ' 60' ' ' CYS . 60.5 tp -61.53 -61.91 2.19 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 123.768 0.667 . . . . 72.53 110.174 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -58.31 -42.07 85.89 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.422 1.076 . . . . 75.43 111.641 -174.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -65.93 -40.85 91.78 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.945 0.898 . . . . 75.21 111.483 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.05 -44.18 91.94 Favored Glycine 0 C--N 1.341 0.833 0 O-C-N 123.368 0.417 . . . . 41.14 112.184 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 70' ' ' LEU . 79.2 mt -58.02 -45.81 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.324 1.05 . . . . 74.45 109.662 174.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -59.93 -57.37 13.17 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 114.508 -1.224 . . . . 75.4 110.673 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -62.25 -33.11 73.97 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.994 0.809 . . . . 72.5 111.726 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.423 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 40.5 ttp -63.08 -53.72 49.28 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.128 0.571 . . . . 75.31 109.94 175.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.553 ' HB3' HG21 ' A' ' 85' ' ' VAL . 99.2 mt -66.99 -29.24 69.03 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.723 0.809 . . . . 71.54 111.292 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -71.72 -31.52 66.8 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.355 0.662 . . . . 73.13 110.86 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -64.78 -48.53 74.14 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.564 0.54 . . . . 74.3 110.339 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -79.71 -37.99 34.46 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.126 -0.943 . . . . 65.14 111.339 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.3 mt -127.1 112.78 21.71 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 123.84 0.856 . . . . 72.21 109.957 -165.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -72.94 -9.02 23.18 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 123.154 2.57 . . . . 73.35 112.915 177.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.53 -30.49 63.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.091 0.556 . . . . 74.13 110.839 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.553 HG21 ' HB3' ' A' ' 78' ' ' LEU . 97.7 t -73.73 99.12 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 123.716 0.806 . . . . 62.42 111.085 -175.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.16 -39.19 68.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.534 0.734 . . . . 74.35 110.548 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.31 -175.86 37.65 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.324 -0.853 . . . . 53.24 112.404 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.548 HG22 ' HB ' ' A' ' 52' ' ' VAL . 70.3 t -129.89 146.39 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.844 1.257 . . . . 74.42 107.887 174.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -135.99 141.46 44.4 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.215 0.606 . . . . 52.11 109.656 -177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -84.09 121.8 27.93 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 108.828 -0.805 . . . . 62.32 108.828 173.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.47 0.544 0 C-N-CA 124.296 1.038 . . . . 73.34 109.526 179.649 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 112.158 0.429 . . . . 73.54 112.158 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.44 -35.27 90.78 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 112.181 -0.368 . . . . 53.23 112.181 168.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 23' ' ' ILE . 98.8 t -62.5 -50.0 81.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.588 0.755 . . . . 73.41 109.637 171.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.7 -34.05 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 C-N-CA 123.937 0.895 . . . . 72.35 111.022 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.47 -45.46 68.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.057 0.943 . . . . 70.55 111.605 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.429 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.3 ptm -72.8 -23.87 60.84 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 119.514 -0.279 . . . . 72.34 110.959 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 19' ' ' VAL . 88.6 mt -67.32 -45.51 85.82 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 N-CA-C 109.054 -0.721 . . . . 75.22 109.054 169.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -54.45 -42.33 70.47 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.194 0.598 . . . . 64.4 110.912 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.84 -52.25 52.05 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 124.066 0.854 . . . . 65.51 111.063 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.1 -36.68 77.97 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.579 0.752 . . . . 73.44 111.281 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.4 -49.64 58.62 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.801 -0.444 . . . . 64.43 109.801 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 26.7 t70 -66.47 -33.95 76.84 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.536 0.734 . . . . 45.33 112.665 -169.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.4 p -87.95 -46.93 8.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.081 0.552 . . . . 72.0 111.652 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -89.15 -54.0 4.31 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.24 0.616 . . . . 72.34 111.955 -169.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.9 mm -88.79 -57.04 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 115.939 -0.573 . . . . 74.24 111.216 -165.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 73.9 mtp180 -51.15 -55.48 27.98 Favored Pre-proline 0 N--CA 1.481 1.121 0 CA-C-O 117.416 -1.278 . . . . 74.41 112.914 -172.172 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.471 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 32.6 Cg_exo -59.77 -37.85 84.29 Favored 'Trans proline' 0 C--N 1.395 2.979 0 C-N-CA 122.328 2.019 . . . . 72.13 111.927 -175.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.2 m -60.86 -47.82 84.64 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.025 0.93 . . . . 44.04 110.743 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.651 HG13 ' SG ' ' A' ' 60' ' ' CYS . 40.4 t -72.38 -30.28 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 115.677 -0.692 . . . . 54.3 110.365 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 74.0 mt-30 -67.44 -38.87 85.18 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.638 0.775 . . . . 65.33 111.233 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 33' ' ' PRO . 45.5 mt-10 -71.19 -33.04 69.58 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.356 0.41 . . . . 63.34 109.914 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.76 -21.03 63.47 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.507 -0.77 . . . . 73.2 110.79 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.03 -13.13 11.38 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-O 120.092 -0.282 . . . . 74.03 113.281 172.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -103.66 -145.76 15.42 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-O 120.064 -0.298 . . . . 43.01 113.124 177.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t0 179.3 159.88 0.69 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.573 1.549 . . . . 74.42 108.385 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.6 m -123.05 120.86 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 108.521 -0.918 . . . . 72.44 108.521 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.463 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.4 mp -113.08 121.17 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 108.321 -0.992 . . . . 74.44 108.321 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.448 ' OH ' ' HB2' ' A' ' 47' ' ' PHE . 1.6 t80 -71.7 112.87 8.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.232 0.613 . . . . 75.41 109.642 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -97.73 -44.6 6.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.713 0.805 . . . . 72.03 111.967 -174.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.66 167.76 37.95 Favored Glycine 0 C--N 1.348 1.224 0 C-N-CA 120.572 -0.823 . . . . 73.13 114.802 -175.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.448 ' HB2' ' OH ' ' A' ' 44' ' ' TYR . 39.8 t80 -146.1 113.62 6.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.711 1.204 . . . . 74.1 108.067 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -146.96 124.0 11.41 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.248 0.619 . . . . 61.34 109.772 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 66.91 19.03 10.66 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.989 1.315 . . . . 62.33 111.938 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.58 -0.48 70.8 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 116.682 -0.235 . . . . 74.02 113.078 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.1 mm -92.93 112.13 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.6 0.76 . . . . 75.23 109.471 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.508 ' HB ' HG22 ' A' ' 88' ' ' VAL . 58.0 t -88.67 100.56 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.468 1.107 . . . . 71.42 109.077 -178.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.63 115.7 20.28 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.164 0.586 . . . . 75.44 109.457 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -120.3 141.02 50.39 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.126 0.97 . . . . 72.22 111.248 -176.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 79.0 tttt -90.89 108.14 19.65 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.706 1.202 . . . . 75.41 109.258 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.9 mt -91.56 132.12 36.52 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.174 -0.676 . . . . 74.05 109.174 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.458 ' OE1' ' HE2' ' A' ' 55' ' ' LYS . 8.0 mm100 -95.27 175.37 6.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.214 0.606 . . . . 70.13 110.543 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.99 169.06 1.88 Allowed Glycine 0 C--N 1.353 1.498 0 O-C-N 124.04 0.837 . . . . 75.43 114.513 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.3 t 75.75 -52.43 0.63 Allowed 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.513 1.525 . . . . 72.23 110.4 -169.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.651 ' SG ' HG13 ' A' ' 35' ' ' VAL . 83.8 m -82.25 -50.13 9.32 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.319 0.647 . . . . 65.3 111.275 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 t -76.56 -13.33 60.09 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.735 0.414 . . . . 63.03 111.628 -175.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m -69.69 -22.33 63.42 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.912 0.885 . . . . 61.33 112.218 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 75.4 m -128.19 122.13 21.94 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 123.498 0.719 . . . . 74.43 109.216 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.511 ' HA ' HD12 ' A' ' 67' ' ' ILE . 28.6 Cg_endo -60.15 -23.54 74.01 Favored 'Trans proline' 0 C--N 1.383 2.365 0 C-N-CA 123.513 2.809 . . . . 70.01 112.777 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.2 p -62.31 -51.58 67.1 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.783 0.833 . . . . 63.35 110.105 172.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.5 m -70.94 -27.31 63.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.651 0.781 . . . . 52.34 111.75 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 64' ' ' PRO . 87.2 mt -61.53 -51.58 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.097 0.559 . . . . 73.44 109.983 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.54 -46.18 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 123.863 0.727 . . . . 54.13 110.63 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.4 m -63.18 -44.79 94.41 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.211 0.604 . . . . 71.41 111.494 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.0 tp -65.22 -46.56 80.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.814 0.445 . . . . 63.01 109.944 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -57.43 -43.76 84.14 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.125 0.97 . . . . 43.54 111.314 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -67.53 -42.73 82.25 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.397 1.079 . . . . 73.42 110.993 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.82 -47.52 89.7 Favored Glycine 0 C--N 1.344 1.004 0 O-C-N 123.658 0.599 . . . . 73.43 112.043 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.95 -40.72 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.871 0.869 . . . . 64.13 110.188 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -59.2 -56.83 17.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.613 0.765 . . . . 73.21 110.164 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -64.16 -30.93 71.96 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.629 0.581 . . . . 65.43 111.501 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -67.01 -48.81 67.27 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.678 0.391 . . . . 74.53 110.695 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.521 ' HB3' HG21 ' A' ' 85' ' ' VAL . 90.7 mt -66.59 -35.49 80.33 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.635 0.774 . . . . 71.41 111.198 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -73.01 -28.61 62.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.501 0.72 . . . . 74.31 111.157 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -64.13 -45.17 89.76 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.832 0.853 . . . . 74.24 110.465 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -90.73 -34.46 15.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.69 -0.686 . . . . 74.54 111.462 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.429 HD11 ' HG3' ' A' ' 22' ' ' MET . 42.1 mt -125.11 107.24 28.01 Favored Pre-proline 0 N--CA 1.482 1.167 0 C-N-CA 123.689 0.796 . . . . 60.53 109.912 -172.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.09 -11.61 30.73 Favored 'Trans proline' 0 C--N 1.369 1.634 0 C-N-CA 122.961 2.441 . . . . 70.33 113.071 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -70.21 -26.66 63.97 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.676 0.79 . . . . 65.34 112.046 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.521 HG21 ' HB3' ' A' ' 78' ' ' LEU . 85.7 t -73.57 120.6 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 123.188 0.595 . . . . 73.21 110.201 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -94.9 -31.99 13.43 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.192 0.997 . . . . 75.43 110.929 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.96 -178.22 41.37 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-N 116.325 -0.398 . . . . 52.42 113.289 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.508 HG22 ' HB ' ' A' ' 52' ' ' VAL . 63.1 t -131.26 134.68 60.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 124.941 1.296 . . . . 73.42 108.11 175.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -114.41 142.75 45.95 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.639 0.776 . . . . 75.23 109.628 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -85.71 125.13 32.97 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.577 -0.527 . . . . 65.01 109.577 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 11.6 m . . . . . 0 CA--C 1.554 1.12 0 N-CA-C 108.547 -0.909 . . . . 70.43 108.547 172.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.217 -0.608 0 CA-C-O 119.501 -0.285 . . . . 63.14 111.391 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.46 -36.88 86.48 Favored Glycine 0 C--N 1.351 1.383 0 C-N-CA 123.292 0.473 . . . . 52.45 113.217 168.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG13 HD13 ' A' ' 82' ' ' ILE . 76.0 t -60.56 -52.46 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.362 0.665 . . . . 62.44 109.518 171.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.525 HG12 ' HE3' ' A' ' 24' ' ' LYS . 88.1 t -60.54 -34.6 58.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 124.645 1.178 . . . . 65.11 110.755 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.52 -42.08 59.5 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.964 0.906 . . . . 72.31 110.818 -176.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.545 ' HG3' HD11 ' A' ' 82' ' ' ILE . 24.3 ptp -71.27 -31.22 67.23 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.004 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 19' ' ' VAL . 96.1 mt -58.35 -50.27 79.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 109.105 -0.702 . . . . 71.21 109.105 171.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HE3' HG12 ' A' ' 20' ' ' VAL . 96.8 mttt -54.69 -41.45 70.26 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.951 0.782 . . . . 74.35 112.718 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -74.4 -43.29 57.03 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 109.737 -0.468 . . . . 64.34 109.737 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.14 -33.46 75.5 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.838 0.855 . . . . 74.54 110.913 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 95.6 mt -65.37 -56.13 14.29 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 109.314 -0.624 . . . . 65.21 109.314 171.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.99 -32.27 73.92 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 116.15 -0.477 . . . . 62.32 112.269 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.2 p -90.33 -43.51 10.29 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.731 0.812 . . . . 64.15 111.88 -174.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -99.09 -54.1 3.07 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.484 0.179 . . . . 75.04 111.484 -175.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.7 mm -76.24 -62.85 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 118.744 -0.646 . . . . 50.3 111.267 -167.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -44.45 -51.72 19.46 Favored Pre-proline 0 N--CA 1.486 1.369 0 CA-C-O 116.931 -1.509 . . . . 73.01 113.171 -177.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 69.4 Cg_exo -51.32 -49.29 17.6 Favored 'Trans proline' 0 C--N 1.404 3.457 0 C-N-CA 122.509 2.14 . . . . 71.41 112.299 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.0 m -60.14 -44.25 95.1 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.218 1.007 . . . . 75.22 111.721 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' ILE . 17.4 t -69.77 -32.57 52.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 115.735 -0.666 . . . . 74.22 110.456 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -76.32 -18.87 58.72 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.754 0.822 . . . . 62.44 111.112 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 6.3 mm-40 -68.8 -34.59 75.78 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.286 -0.635 . . . . 65.12 109.286 169.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -79.58 -23.11 42.97 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.286 -0.87 . . . . 74.31 110.645 174.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.84 -10.6 34.75 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 119.96 -0.356 . . . . 55.02 112.596 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.15 -162.15 37.33 Favored Glycine 0 C--N 1.348 1.196 0 N-CA-C 111.789 -0.525 . . . . 61.41 111.789 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' HB3' ' HG3' ' A' ' 57' ' ' GLN . 26.2 t0 -166.85 162.81 16.15 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.246 0.618 . . . . 74.14 109.548 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 m -128.34 130.78 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.866 0.866 . . . . 63.0 109.488 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.545 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -115.28 129.09 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 107.69 -1.226 . . . . 71.34 107.69 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.448 ' OH ' HG13 ' A' ' 20' ' ' VAL . 74.5 t80 -72.18 128.2 34.94 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.821 -0.437 . . . . 64.15 109.821 176.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.576 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 9.7 mmpt? -113.14 -46.38 3.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.543 0.737 . . . . 73.41 111.323 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.44 -174.26 41.07 Favored Glycine 0 C--N 1.342 0.888 0 C-N-CA 120.266 -0.969 . . . . 72.15 113.965 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -155.93 109.89 2.79 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 106.345 -1.724 . . . . 71.34 106.345 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -138.0 123.71 19.86 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.077 -0.712 . . . . 71.44 109.077 -174.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 60.83 30.72 19.84 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.677 1.191 . . . . 62.45 111.107 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.1 2.86 85.6 Favored Glycine 0 C--N 1.347 1.194 0 CA-C-N 115.868 -0.606 . . . . 75.41 113.796 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.2 mm -104.36 116.81 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.324 0.65 . . . . 72.44 110.062 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.592 ' HB ' HG22 ' A' ' 88' ' ' VAL . 46.1 t -82.42 111.89 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 123.566 0.746 . . . . 61.05 109.6 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -87.15 120.81 28.82 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.143 0.577 . . . . 63.52 109.453 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.6 mt -126.77 136.72 52.78 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.25 0.62 . . . . 64.03 110.753 -177.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 79.5 tttt -87.25 110.26 20.06 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.437 -0.949 . . . . 65.22 108.437 172.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.6 mt -90.73 146.45 23.98 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.646 -0.872 . . . . 65.0 108.646 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.41 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 76.1 mm-40 -95.38 176.59 6.14 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.268 0.627 . . . . 62.43 111.104 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.41 166.41 20.88 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.42 -0.655 . . . . 33.44 112.116 172.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.5 t 76.31 -55.84 0.58 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.302 1.441 . . . . 61.35 110.318 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.533 ' HB2' HD22 ' A' ' 70' ' ' LEU . 27.8 p -74.66 -5.29 42.24 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 112.593 0.59 . . . . 74.43 112.593 177.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.487 ' HA ' HG12 ' A' ' 67' ' ' ILE . 21.6 p -109.52 8.58 25.22 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.767 0.827 . . . . 70.01 111.862 175.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -69.73 103.77 2.24 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 119.278 -0.392 . . . . 62.24 110.986 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 73.6 m 74.72 145.84 0.11 Allowed Pre-proline 0 N--CA 1.488 1.464 0 C-N-CA 125.206 1.403 . . . . 74.24 111.317 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -58.54 -41.29 66.12 Favored 'Trans proline' 0 C--N 1.384 2.423 0 C-N-CA 123.08 2.52 . . . . 72.15 112.799 -173.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -54.93 -40.23 69.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.689 0.796 . . . . 74.14 112.109 -177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.5 m -67.8 -40.4 83.9 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 123.544 0.527 . . . . 65.24 111.268 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.487 HG12 ' HA ' ' A' ' 61' ' ' THR . 45.7 mt -64.44 -41.33 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 122.977 0.511 . . . . 64.3 110.202 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.13 -49.99 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.882 0.873 . . . . 63.45 109.985 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.0 m -62.63 -40.32 96.6 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.542 0.737 . . . . 62.13 111.261 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.533 HD22 ' HB2' ' A' ' 60' ' ' CYS . 62.2 tp -66.31 -58.71 4.75 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.494 0.497 . . . . 65.04 109.964 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -56.14 -40.21 73.46 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.626 1.17 . . . . 54.31 111.52 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -73.71 -34.51 64.85 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.366 0.666 . . . . 61.12 111.732 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.01 -45.88 94.68 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 111.184 -0.766 . . . . 73.14 111.184 174.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.4 mt -63.7 -43.53 98.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.827 0.851 . . . . 61.44 109.918 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -58.68 -57.8 11.41 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.265 0.978 . . . . 65.23 110.554 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -63.97 -30.53 71.6 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.479 0.711 . . . . 75.33 111.585 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -67.12 -46.56 73.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 109.973 -0.38 . . . . 73.14 109.973 174.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.511 HD13 HG21 ' A' ' 52' ' ' VAL . 89.7 mt -68.9 -26.82 65.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.621 0.769 . . . . 72.44 111.671 178.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.4 mt-30 -80.52 -26.27 38.22 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.621 0.768 . . . . 71.41 110.467 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -66.86 -33.83 76.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.17 0.988 . . . . 74.11 110.482 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -94.95 -40.07 9.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.21 0.604 . . . . 73.2 111.324 177.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.545 HD11 ' HG3' ' A' ' 22' ' ' MET . 37.6 mt -127.04 115.14 21.93 Favored Pre-proline 0 N--CA 1.483 1.21 0 C-N-CA 123.345 0.658 . . . . 74.04 110.384 -170.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.85 -8.75 20.54 Favored 'Trans proline' 0 C--N 1.374 1.89 0 C-N-CA 122.764 2.309 . . . . 72.1 112.613 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.431 ' H ' HG22 ' A' ' 82' ' ' ILE . 16.1 mm-40 -76.86 -25.24 52.9 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.096 0.558 . . . . 71.55 111.32 179.235 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.449 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 84.6 t -72.03 97.78 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 N-CA-C 109.552 -0.536 . . . . 74.04 109.552 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -73.39 -28.86 62.24 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.517 0.727 . . . . 71.42 111.108 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -173.19 -177.2 42.26 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 121.514 -0.374 . . . . 51.2 113.489 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.592 HG22 ' HB ' ' A' ' 52' ' ' VAL . 77.8 t -132.52 139.73 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.991 1.317 . . . . 63.4 107.615 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -124.84 146.69 49.15 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 122.87 0.468 . . . . 70.54 110.297 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -84.75 127.21 34.0 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.482 -0.781 . . . . 72.14 109.016 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 24.0 m . . . . . 0 N--CA 1.474 0.757 0 C-N-CA 124.151 0.981 . . . . 73.34 108.553 170.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.753 0.279 . . . . 74.5 111.753 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.11 -35.44 92.08 Favored Glycine 0 C--N 1.349 1.301 0 N-CA-C 112.039 -0.424 . . . . 71.4 112.039 169.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.483 HG13 HG21 ' A' ' 82' ' ' ILE . 76.6 t -56.26 -54.61 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.725 0.81 . . . . 75.34 109.494 170.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -55.88 -42.42 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.358 1.463 . . . . 74.11 111.693 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.48 80.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.262 1.025 . . . . 65.15 111.3 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.4 ptm -76.99 -23.02 52.28 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 118.99 -0.528 . . . . 73.33 111.723 -177.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 19' ' ' VAL . 87.0 mt -62.95 -49.43 83.6 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 N-CA-C 108.31 -0.996 . . . . 72.15 108.31 171.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -52.29 -43.43 64.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.647 0.779 . . . . 61.2 111.553 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.91 -51.87 62.52 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.756 0.66 . . . . 74.33 110.295 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.56 -32.58 70.48 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.827 0.851 . . . . 73.14 111.424 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 92.6 mt -71.28 -56.52 5.87 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.114 -0.699 . . . . 73.52 109.114 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 24.7 t70 -61.66 -29.57 70.16 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.389 1.076 . . . . 75.42 112.727 -169.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.8 p -100.21 -24.9 14.44 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 112.687 0.625 . . . . 64.41 112.687 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -118.0 -57.03 2.13 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 122.581 0.353 . . . . 73.23 111.55 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.5 mm -77.99 -60.13 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.142 0.577 . . . . 61.03 111.086 -169.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 75.6 mtp180 -47.98 -51.77 45.25 Favored Pre-proline 0 CA--C 1.561 1.392 0 CA-C-O 116.874 -1.536 . . . . 71.34 112.125 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -54.63 -38.9 90.85 Favored 'Trans proline' 0 C--N 1.405 3.533 0 C-N-CA 122.557 2.171 . . . . 64.23 113.074 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.8 m -63.77 -46.39 85.47 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.311 0.644 . . . . 73.41 110.861 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 31' ' ' ILE . 6.0 t -70.03 -32.23 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 115.581 -0.736 . . . . 62.54 110.563 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -73.47 -31.17 63.62 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.363 0.665 . . . . 61.22 110.716 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -69.41 -33.52 73.12 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 122.741 0.416 . . . . 64.02 110.226 171.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.76 -23.19 61.56 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.502 0.721 . . . . 73.34 110.894 173.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.09 -27.15 6.51 Favored Glycine 0 C--N 1.342 0.903 0 N-CA-C 112.504 -0.238 . . . . 75.43 112.504 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.73 -148.24 20.54 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-O 120.085 -0.286 . . . . 72.45 113.187 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -174.39 159.17 3.0 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.51 1.124 . . . . 72.52 108.717 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.438 HG13 HG21 ' A' ' 35' ' ' VAL . 26.9 m -122.65 125.98 73.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 108.591 -0.892 . . . . 71.41 108.591 176.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.606 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.4 mp -110.93 125.78 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 N-CA-C 107.41 -1.33 . . . . 71.11 107.41 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -67.05 109.07 2.85 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.88 -0.415 . . . . 74.44 109.88 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HD2' ' HB2' ' A' ' 55' ' ' LYS . 8.9 mmpt? -88.49 -50.4 6.32 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.653 0.781 . . . . 73.44 110.335 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.81 -171.41 41.21 Favored Glycine 0 C--N 1.345 1.062 0 C-N-CA 120.625 -0.797 . . . . 62.35 114.068 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -147.05 111.9 5.37 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 106.981 -1.488 . . . . 74.12 106.981 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -132.78 114.64 14.36 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.287 0.635 . . . . 74.03 109.591 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 61.3 38.69 16.24 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.493 1.117 . . . . 75.42 111.317 171.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.45 -3.84 82.06 Favored Glycine 0 C--N 1.345 1.071 0 CA-C-N 115.513 -0.767 . . . . 64.24 114.045 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.5 mm -102.96 114.21 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.397 0.679 . . . . 62.35 110.822 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.566 ' HB ' HG22 ' A' ' 88' ' ' VAL . 44.3 t -81.91 108.36 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.546 -0.909 . . . . 72.13 108.546 176.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -96.94 125.82 41.64 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.078 0.551 . . . . 74.41 109.592 -175.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.5 mt -129.47 147.55 51.3 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.586 0.754 . . . . 74.25 110.914 -173.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.606 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 85.7 tttt -88.64 110.37 20.88 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.293 1.037 . . . . 63.11 109.266 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.9 mt -87.02 135.79 33.15 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 109.35 -0.611 . . . . 73.01 109.35 177.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -95.53 174.97 6.74 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.705 0.802 . . . . 65.24 110.576 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.75 157.37 5.51 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 119.368 -0.684 . . . . 43.22 112.824 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.5 t 77.78 -66.92 0.21 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.329 1.451 . . . . 72.2 109.544 -167.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.7 p -68.9 -22.29 64.18 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.28 0.474 . . . . 64.35 112.28 -175.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.449 ' HA ' HG12 ' A' ' 67' ' ' ILE . 12.2 t -105.23 3.26 29.89 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.895 0.478 . . . . 74.31 111.926 176.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.9 t -71.84 -58.57 3.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.085 0.554 . . . . 71.14 111.166 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 74.8 m -94.2 139.01 22.36 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.066 0.546 . . . . 62.13 110.466 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -60.23 -37.33 83.75 Favored 'Trans proline' 0 C--N 1.383 2.347 0 C-N-CA 123.515 2.81 . . . . 70.32 112.987 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -68.18 -35.41 77.98 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.103 0.561 . . . . 74.13 110.504 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.3 m -63.3 -42.35 99.05 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.195 0.598 . . . . 54.34 111.219 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.449 HG12 ' HA ' ' A' ' 61' ' ' THR . 84.9 mt -58.22 -52.37 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.269 1.028 . . . . 74.25 111.135 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.76 -42.01 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 O-C-N 123.609 0.568 . . . . 61.24 111.144 -174.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 84.8 m -57.17 -45.15 83.91 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.41 0.684 . . . . 52.11 110.81 176.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 74' ' ' ILE . 43.2 tp -64.42 -53.25 51.34 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.434 -0.803 . . . . 72.23 110.076 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -55.44 -40.46 71.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.902 1.281 . . . . 74.14 111.693 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -69.63 -44.71 70.1 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.145 0.978 . . . . 74.25 111.103 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.28 -46.8 93.71 Favored Glycine 0 CA--C 1.533 1.173 0 O-C-N 123.185 0.303 . . . . 34.04 112.644 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 70' ' ' LEU . 60.3 mt -60.56 -44.55 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.215 1.006 . . . . 75.14 109.681 175.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.404 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 50.9 tt0 -55.41 -61.6 2.23 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.408 1.083 . . . . 71.3 111.283 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -60.94 -36.43 79.33 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 123.884 0.74 . . . . 51.44 112.179 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -64.36 -50.49 67.51 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.618 0.367 . . . . 73.04 110.219 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.545 ' HB3' HG21 ' A' ' 85' ' ' VAL . 86.7 mt -61.78 -39.64 92.4 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.45 0.7 . . . . 70.51 111.176 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.5 mt-30 -65.6 -34.45 78.26 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.799 0.84 . . . . 73.31 111.392 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.5 -30.72 71.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.88 0.872 . . . . 74.32 111.092 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -102.65 -27.02 12.98 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.295 0.638 . . . . 74.54 111.868 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.483 HG21 HG13 ' A' ' 19' ' ' VAL . 61.9 mt -135.89 114.29 10.95 Favored Pre-proline 0 N--CA 1.488 1.444 0 C-N-CA 123.958 0.903 . . . . 63.4 110.478 -168.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -76.81 -9.55 18.26 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.813 2.342 . . . . 73.13 113.469 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -72.38 -27.62 62.49 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.726 0.411 . . . . 72.03 111.06 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 78' ' ' LEU . 94.0 t -74.18 101.52 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 108.865 -0.791 . . . . 63.12 108.865 177.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -84.81 -24.07 28.84 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.901 -1.045 . . . . 62.53 110.15 174.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.404 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -178.55 -178.52 47.96 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 116.275 -0.42 . . . . 72.33 112.745 176.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' A' ' 52' ' ' VAL . 76.6 t -126.98 152.45 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.278 1.431 . . . . 74.32 108.029 174.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -143.73 147.7 34.6 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.071 0.548 . . . . 73.25 110.21 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -85.05 131.73 34.42 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.914 0.886 . . . . 64.24 110.396 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 4.7 m . . . . . 0 N--CA 1.471 0.591 0 N-CA-C 106.741 -1.577 . . . . 53.14 106.741 164.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 110.386 -0.227 . . . . 72.23 110.386 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.32 173.67 53.96 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 114.065 0.386 . . . . 63.25 114.065 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -76.07 76.92 2.92 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.922 0.889 . . . . 74.11 109.297 176.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -130.75 -68.45 0.68 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.89 -1.522 . . . . 73.24 106.89 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 42.7 m80 59.14 20.54 8.52 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 125.039 1.336 . . . . 62.33 112.804 171.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -110.47 134.35 52.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.207 1.003 . . . . 54.2 109.385 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -117.19 122.26 43.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.566 0.746 . . . . 75.54 109.469 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -70.5 -38.07 74.28 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.916 0.886 . . . . 71.11 109.351 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.2 t -136.6 168.67 19.05 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.111 -0.949 . . . . 65.52 109.637 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -151.43 137.62 18.38 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.759 0.824 . . . . 72.5 110.347 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.0 mtp -83.9 177.49 8.29 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.996 0.918 . . . . 72.15 110.755 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.85 -74.11 2.33 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 110.901 -0.88 . . . . 73.52 110.901 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.8 p -84.42 79.07 9.69 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-O 121.825 0.821 . . . . 71.04 108.791 168.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -100.7 -173.9 2.51 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.398 1.079 . . . . 62.34 111.26 -174.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -64.31 103.22 0.61 Allowed 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.656 -0.702 . . . . 73.42 110.243 173.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 t0 59.35 74.05 0.46 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.091 1.357 . . . . 74.32 109.538 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.433 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 5.9 p-10 -65.5 -16.21 63.44 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.758 -0.656 . . . . 74.15 111.274 -177.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.18 -50.91 57.22 Favored Glycine 0 C--N 1.353 1.522 0 N-CA-C 111.676 -0.57 . . . . 75.2 111.676 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.442 HG13 HG21 ' A' ' 82' ' ' ILE . 41.0 t -63.92 -51.56 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.519 0.728 . . . . 75.21 110.129 174.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.433 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 53.2 t -53.13 -46.15 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.494 1.118 . . . . 74.21 112.02 -176.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.55 81.89 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.668 0.787 . . . . 51.32 111.851 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.516 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.2 ptm -74.96 -23.07 58.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 119.295 -0.383 . . . . 73.14 110.956 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 19' ' ' VAL . 82.2 mt -66.53 -44.93 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 108.972 -0.751 . . . . 52.51 108.972 170.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -52.59 -43.39 65.28 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.957 0.785 . . . . 75.21 111.965 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.74 -40.35 55.63 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-O 119.127 -0.464 . . . . 71.11 109.878 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.89 -29.59 68.43 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.709 0.804 . . . . 71.13 111.15 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.88 -57.09 4.05 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.224 -0.658 . . . . 73.32 109.224 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -59.94 -32.43 70.78 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.645 0.778 . . . . 71.43 113.068 -169.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.7 p -90.53 -46.96 7.99 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.769 0.827 . . . . 73.14 111.416 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -98.97 -47.38 5.27 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.08 0.552 . . . . 73.41 112.388 -168.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.437 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.5 mm -88.27 -63.75 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.06 0.544 . . . . 72.05 111.773 -170.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 55.9 mtp180 -43.61 -53.41 12.17 Favored Pre-proline 0 N--CA 1.492 1.658 0 CA-C-O 117.584 -1.198 . . . . 64.33 113.242 -175.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 71.3 Cg_exo -52.1 -46.62 31.38 Favored 'Trans proline' 0 C--N 1.398 3.156 0 C-N-CA 122.337 2.025 . . . . 54.33 113.23 177.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.9 m -60.77 -47.68 85.24 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.89 0.876 . . . . 73.22 111.049 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.651 HG13 ' SG ' ' A' ' 60' ' ' CYS . 15.0 t -65.38 -38.85 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 115.489 -0.778 . . . . 74.13 110.441 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -68.28 -32.25 72.27 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.707 0.803 . . . . 73.01 111.642 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 32.8 mm-40 -65.92 -31.72 72.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.894 0.478 . . . . 73.52 110.797 174.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -80.74 -22.28 40.37 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.409 -0.36 . . . . 74.22 110.998 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.37 36.36 2.49 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 116.061 -0.518 . . . . 73.34 112.342 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.19 -153.29 6.08 Favored Glycine 0 C--N 1.339 0.697 0 N-CA-C 111.238 -0.745 . . . . 72.25 111.238 174.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.407 ' N ' ' HB2' ' A' ' 57' ' ' GLN . 30.0 t0 -175.55 163.45 2.94 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.339 1.056 . . . . 75.01 109.366 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.9 122.34 68.35 Favored 'Isoleucine or valine' 0 C--O 1.246 0.904 0 N-CA-C 108.511 -0.922 . . . . 65.43 108.511 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.464 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 2.3 mp -104.02 119.43 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 107.864 -1.161 . . . . 74.43 107.864 178.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -68.6 108.64 3.42 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 123.616 0.572 . . . . 74.3 110.479 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.525 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 10.6 mmpt? -88.48 -36.15 16.62 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.738 0.815 . . . . 74.41 110.69 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.21 -171.61 39.8 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 121.589 -0.339 . . . . 61.24 113.706 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -140.89 110.83 6.53 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 106.373 -1.714 . . . . 71.42 106.373 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.77 123.29 13.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.247 -0.649 . . . . 75.44 109.247 -171.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 t70 65.26 23.92 12.2 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.961 1.304 . . . . 74.2 111.484 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.23 6.43 81.47 Favored Glycine 0 C--N 1.347 1.16 0 CA-C-N 115.716 -0.675 . . . . 55.11 113.246 -176.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.0 mm -106.2 113.62 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 123.475 0.71 . . . . 54.2 109.549 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.578 ' HB ' HG22 ' A' ' 88' ' ' VAL . 36.5 t -79.96 105.42 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.563 -0.902 . . . . 75.14 108.563 174.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -87.66 121.66 30.37 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 108.88 -0.785 . . . . 74.42 108.88 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.7 mt -130.74 137.82 49.67 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.319 1.048 . . . . 73.42 110.075 -176.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 87.0 tttt -90.23 122.52 33.24 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.717 -0.846 . . . . 71.21 108.717 171.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.4 mt -96.34 138.03 34.53 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.686 -0.487 . . . . 73.12 109.686 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.407 ' HB2' ' N ' ' A' ' 41' ' ' ASP . 83.8 mm-40 -96.5 175.73 6.3 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.926 0.891 . . . . 73.11 110.408 175.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' HA2' HG22 ' A' ' 61' ' ' THR . . . -55.24 171.88 1.33 Allowed Glycine 0 C--N 1.351 1.367 0 N-CA-C 116.255 1.262 . . . . 70.42 116.255 -172.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 m 71.4 -63.09 0.43 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.637 1.575 . . . . 73.11 110.762 -172.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.651 ' SG ' HG13 ' A' ' 35' ' ' VAL . 63.9 m -65.11 -42.81 93.6 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.857 0.863 . . . . 45.22 111.894 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.494 ' HA ' HG12 ' A' ' 67' ' ' ILE . 6.6 t -85.26 -16.2 40.92 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.44 0.296 . . . . 65.42 111.338 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 m -71.3 -40.52 70.79 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.87 0.468 . . . . 54.53 110.959 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.6 m -97.32 121.47 58.55 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 123.245 0.618 . . . . 54.23 109.627 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -58.01 -35.97 98.38 Favored 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 123.659 2.906 . . . . 64.15 113.268 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -63.68 -43.07 97.74 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.231 0.612 . . . . 75.32 110.643 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.1 m -67.76 -29.82 69.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.968 0.907 . . . . 62.54 111.668 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.494 HG12 ' HA ' ' A' ' 61' ' ' THR . 78.0 mt -61.06 -51.13 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.028 0.531 . . . . 74.2 110.062 173.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.34 -44.45 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.868 0.73 . . . . 65.44 110.401 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.4 m -63.58 -45.4 90.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.731 0.812 . . . . 75.41 111.146 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.81 -51.13 61.52 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.561 0.538 . . . . 72.42 110.2 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.76 -44.56 77.75 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.111 0.964 . . . . 74.32 110.806 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -69.33 -38.77 78.36 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.736 0.815 . . . . 74.44 111.942 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.8 -47.61 84.67 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 111.865 -0.494 . . . . 52.24 111.865 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.41 -46.57 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.801 0.84 . . . . 65.5 109.605 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -56.48 -55.82 28.88 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.326 1.016 . . . . 74.31 111.089 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -62.62 -38.1 88.89 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.747 0.819 . . . . 62.03 111.31 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.9 ttp -61.86 -49.06 77.78 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.14 0.576 . . . . 62.42 110.645 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.547 HD13 HG21 ' A' ' 52' ' ' VAL . 94.4 mt -66.25 -38.67 88.41 Favored 'General case' 0 C--O 1.212 -0.916 0 C-N-CA 123.953 0.901 . . . . 73.34 111.041 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.9 mt-30 -67.8 -30.51 69.95 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.541 0.736 . . . . 75.3 111.198 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.77 -47.88 84.33 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 123.891 0.745 . . . . 74.02 110.534 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -88.41 -30.35 19.55 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.436 0.694 . . . . 74.1 111.151 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.516 HD11 ' HG3' ' A' ' 22' ' ' MET . 46.1 mt -131.27 94.0 28.26 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.401 1.08 . . . . 72.13 108.965 -169.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.08 -3.41 12.81 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 122.509 2.139 . . . . 75.32 112.986 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -69.9 -28.88 65.99 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.997 0.919 . . . . 74.34 110.059 173.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 78' ' ' LEU . 69.4 t -70.83 106.23 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 108.964 -0.754 . . . . 71.25 108.964 174.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -92.0 -33.52 14.8 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.388 0.675 . . . . 64.22 109.737 172.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.47 167.97 30.9 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.797 -0.638 . . . . 71.12 113.122 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.578 HG22 ' HB ' ' A' ' 52' ' ' VAL . 61.4 t -132.81 136.74 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 106.908 -1.516 . . . . 53.53 106.908 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -125.3 131.58 53.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.112 0.565 . . . . 61.54 110.184 -171.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -84.29 108.66 17.27 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.288 -1.004 . . . . 75.21 108.288 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.64 110.32 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 124.028 0.931 . . . . 65.43 109.176 176.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 21.8 ptp -78.13 85.07 4.34 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.011 -1.107 . . . . 75.2 108.011 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -98.68 91.41 5.1 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 114.704 -1.135 . . . . 73.3 109.218 -174.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -157.66 112.9 2.74 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.058 -0.719 . . . . 74.34 109.058 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.37 11.23 2.52 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 113.446 0.906 . . . . 53.11 113.446 -169.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.6 p -73.47 -27.96 61.69 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 118.14 0.427 . . . . 72.35 110.297 171.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 C--O 1.252 1.187 0 CA-C-N 115.351 -0.84 . . . . 70.2 108.872 173.013 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 108.984 -0.747 . . . . 63.32 108.984 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.77 99.46 1.37 Allowed Glycine 0 C--N 1.344 0.991 0 O-C-N 123.734 0.646 . . . . 63.01 111.75 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.497 ' HB2' ' HB3' ' A' ' 7' ' ' HIS . 16.2 m-70 -73.97 110.75 8.5 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.325 -0.991 . . . . 61.54 108.325 174.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -64.62 -35.58 81.46 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.931 0.892 . . . . 73.4 112.53 -168.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -94.53 -82.75 0.36 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.559 -0.534 . . . . 75.33 109.559 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -91.66 113.06 25.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.977 0.911 . . . . 71.43 109.968 -172.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 3' ' ' HIS . 8.3 p80 -151.75 132.02 13.66 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.25 -1.018 . . . . 64.13 108.25 173.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -74.49 110.34 8.71 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.45 -0.574 . . . . 74.15 109.45 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.0 t -77.79 -38.0 47.59 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 109.102 -0.703 . . . . 72.13 109.102 174.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -140.6 98.62 3.45 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.71 1.204 . . . . 71.2 108.214 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.1 ttt -76.67 83.13 3.31 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.651 -0.87 . . . . 75.44 108.651 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.28 168.33 36.49 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 114.426 -1.261 . . . . 42.31 110.342 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.5 t -151.67 29.05 0.61 Allowed 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 116.965 0.383 . . . . 44.13 111.367 -168.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.34 145.59 55.54 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 109.769 -0.456 . . . . 75.22 109.769 -177.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 79.88 0.27 Allowed 'General case' 0 CA--C 1.558 1.269 0 CA-C-O 122.373 1.082 . . . . 60.31 109.337 176.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -75.23 166.15 24.08 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-N 114.982 -1.008 . . . . 73.54 111.179 -168.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -65.13 -15.31 62.27 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.359 -1.291 . . . . 71.41 112.077 -176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.38 -45.43 93.34 Favored Glycine 0 C--N 1.357 1.728 0 N-CA-C 112.003 -0.439 . . . . 63.33 112.003 174.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 23' ' ' ILE . 59.4 t -64.49 -52.49 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.518 0.727 . . . . 60.35 110.158 175.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.93 -43.41 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.287 1.035 . . . . 72.43 111.58 -174.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -44.02 78.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.598 0.759 . . . . 64.11 111.367 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.431 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.8 ptm -70.48 -30.1 66.81 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 119.071 -0.49 . . . . 70.55 110.742 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 19' ' ' VAL . 72.7 mt -63.4 -48.05 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 109.136 -0.69 . . . . 72.52 109.136 172.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -53.26 -47.9 68.71 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 123.927 0.767 . . . . 73.32 111.297 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.62 -41.39 65.6 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 123.77 0.669 . . . . 62.43 110.705 -174.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 22' ' ' MET . 83.9 mt -60.06 -36.28 76.99 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.946 0.499 . . . . 74.13 110.634 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.7 mt -71.3 -52.02 21.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.813 -0.63 . . . . 63.41 109.753 174.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.36 -24.54 66.52 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.534 0.734 . . . . 54.31 112.806 -169.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.3 p -96.59 -40.8 8.85 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.387 0.675 . . . . 71.43 111.794 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HD2' ' SD ' ' A' ' 77' ' ' MET . 40.8 mtt180 -98.5 -54.5 3.02 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.843 0.457 . . . . 72.4 111.648 -172.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -86.29 -60.19 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 116.129 -0.487 . . . . 71.41 110.929 -166.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 71.1 mtp180 -47.1 -52.35 34.89 Favored Pre-proline 0 N--CA 1.488 1.432 0 CA-C-O 117.175 -1.393 . . . . 61.44 112.5 -176.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 52.6 Cg_exo -55.49 -43.37 58.75 Favored 'Trans proline' 0 C--N 1.408 3.669 0 C-N-CA 122.458 2.106 . . . . 72.13 112.635 178.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.0 m -59.66 -47.94 83.63 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.055 0.942 . . . . 72.12 110.938 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.731 HG13 ' SG ' ' A' ' 60' ' ' CYS . 24.4 t -71.59 -33.52 49.46 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 CA-C-N 114.965 -1.016 . . . . 73.03 110.224 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -66.54 -38.61 87.5 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.8 0.84 . . . . 73.21 110.755 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -69.68 -28.69 66.07 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.138 0.575 . . . . 74.43 110.495 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -77.6 -22.13 51.29 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.712 0.805 . . . . 74.52 110.828 176.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.67 8.78 22.22 Favored Glycine 0 N--CA 1.476 1.364 0 CA-C-O 120.065 -0.297 . . . . 60.15 113.721 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.14 -145.09 7.34 Favored Glycine 0 N--CA 1.47 0.941 0 CA-C-O 119.682 -0.51 . . . . 65.31 112.105 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -179.29 161.03 1.06 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.466 1.507 . . . . 74.14 108.956 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.2 m -124.57 118.5 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 108.238 -1.023 . . . . 64.2 108.238 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -106.25 120.55 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 108.261 -1.014 . . . . 72.44 108.261 -176.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -66.46 109.77 2.87 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.503 -0.554 . . . . 73.44 109.503 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 10.6 mmpt? -90.07 -38.36 13.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.296 0.639 . . . . 72.1 110.23 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 170.96 -171.42 43.86 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 121.101 -0.571 . . . . 75.32 113.675 177.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -144.68 111.09 5.6 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 106.502 -1.666 . . . . 55.1 106.502 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -124.86 133.51 53.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.249 -1.019 . . . . 75.44 108.249 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 67.67 -81.65 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 125.009 1.324 . . . . 73.21 109.817 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.89 15.79 0.36 Allowed Glycine 0 C--N 1.343 0.939 0 C-N-CA 123.814 0.721 . . . . 53.42 111.304 175.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.6 mm -108.19 116.01 50.47 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 C-N-CA 124.028 0.931 . . . . 70.24 108.774 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.549 ' HB ' HG22 ' A' ' 88' ' ' VAL . 46.9 t -78.73 103.59 5.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 N-CA-C 108.012 -1.107 . . . . 75.21 108.012 175.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -88.6 114.71 25.5 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 115.44 -0.8 . . . . 73.11 109.674 -174.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.0 mt -121.74 139.26 53.81 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.23 1.012 . . . . 73.12 110.618 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 83.4 tttt -88.6 114.42 25.2 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.173 0.989 . . . . 72.23 108.49 173.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.613 HD13 HD23 ' A' ' 70' ' ' LEU . 25.0 mt -95.92 134.63 38.68 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.085 -0.709 . . . . 73.13 109.085 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.404 ' OE1' ' HE2' ' A' ' 55' ' ' LYS . 10.3 mm100 -95.23 174.43 7.06 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.699 0.8 . . . . 64.31 110.218 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.48 174.33 3.91 Favored Glycine 0 C--N 1.361 1.929 0 O-C-N 124.329 1.018 . . . . 53.24 113.945 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.0 t 76.76 -55.11 0.57 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.418 1.487 . . . . 64.44 111.048 -176.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.731 ' SG ' HG13 ' A' ' 35' ' ' VAL . 85.8 m -78.79 -27.87 44.57 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.376 0.671 . . . . 74.21 111.464 176.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.2 p -77.7 -18.31 56.75 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.704 0.402 . . . . 74.4 111.662 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.9 m -60.84 119.11 7.58 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.353 0.661 . . . . 53.14 109.873 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.4 m 68.45 121.6 0.03 OUTLIER Pre-proline 0 CA--C 1.56 1.364 0 C-N-CA 125.327 1.451 . . . . 73.44 111.103 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.467 ' HA ' HD12 ' A' ' 67' ' ' ILE . 85.7 Cg_exo -50.57 -26.41 16.75 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 123.811 3.007 . . . . 51.24 114.329 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.3 t -56.71 -47.66 79.45 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.24 1.016 . . . . 64.13 110.851 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.0 m -72.11 -28.39 63.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.232 0.613 . . . . 74.23 111.962 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 64' ' ' PRO . 66.4 mt -65.37 -43.21 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.416 0.686 . . . . 73.05 110.395 173.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.09 -45.81 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.638 0.775 . . . . 63.41 109.7 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.4 m -63.39 -40.8 98.2 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.781 0.832 . . . . 72.15 111.375 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.613 HD23 HD13 ' A' ' 56' ' ' LEU . 28.9 tp -67.37 -48.23 68.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 122.943 0.497 . . . . 65.41 109.997 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -55.09 -46.74 75.5 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.865 0.866 . . . . 74.11 110.869 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -68.47 -48.76 63.66 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.732 1.27 . . . . 74.1 111.161 -168.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.31 -46.63 90.17 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 123.824 0.703 . . . . 54.31 112.509 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.72 -43.44 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.902 0.881 . . . . 74.55 110.526 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -63.14 -50.72 69.32 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.333 -0.849 . . . . 61.11 110.438 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -59.0 -36.73 75.42 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.018 0.824 . . . . 54.13 111.242 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.434 ' SD ' ' HD2' ' A' ' 30' ' ' ARG . 54.6 ttp -64.41 -57.3 9.67 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.261 0.624 . . . . 73.44 110.218 178.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 85' ' ' VAL . 97.2 mt -66.63 -28.25 68.34 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.743 0.817 . . . . 72.41 112.069 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.3 mt-30 -75.76 -35.41 60.17 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.015 0.526 . . . . 74.35 110.664 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -62.34 -49.33 76.0 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.752 0.821 . . . . 74.32 109.737 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -79.85 -36.39 36.79 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.628 -0.714 . . . . 73.33 111.985 -178.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.44 HG22 ' H ' ' A' ' 84' ' ' GLU . 19.4 mt -126.98 115.31 22.04 Favored Pre-proline 0 N--CA 1.488 1.44 0 C-N-CA 123.447 0.699 . . . . 75.11 110.667 -169.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.17 -9.79 26.13 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 123.041 2.494 . . . . 75.32 113.679 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' H ' HG22 ' A' ' 82' ' ' ILE . 8.8 mm-40 -76.38 -28.52 56.78 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.27 0.628 . . . . 75.23 110.779 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 78' ' ' LEU . 98.3 t -73.99 99.86 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 123.372 0.669 . . . . 34.35 110.179 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -77.83 -33.38 52.35 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.663 0.785 . . . . 62.34 110.015 173.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.93 179.51 40.66 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 116.233 -0.44 . . . . 65.52 112.938 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.549 HG22 ' HB ' ' A' ' 52' ' ' VAL . 52.7 t -133.53 135.99 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.613 1.165 . . . . 71.45 108.375 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -122.26 154.17 37.91 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.122 0.569 . . . . 54.24 110.578 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -94.93 108.25 20.29 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.334 -0.987 . . . . 62.24 108.334 167.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.446 HG23 ' HG3' ' A' ' 45' ' ' LYS . 3.7 m -102.51 110.68 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.261 -1.015 . . . . 74.13 108.261 169.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 96.1 mmm -80.6 87.99 5.73 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 115.442 -0.799 . . . . 74.42 110.195 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.406 ' HB3' ' HD2' ' A' ' 55' ' ' LYS . 13.9 t70 -82.6 67.59 8.71 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 114.674 -1.148 . . . . 52.44 108.291 171.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -94.0 126.35 39.16 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.759 -0.655 . . . . 73.04 109.38 -177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.02 -37.56 75.66 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 109.105 -0.702 . . . . 74.32 109.105 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.9 m -142.28 152.84 43.4 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.419 1.087 . . . . 63.23 109.263 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 N--CA 1.483 1.205 0 C-N-CA 124.03 0.932 . . . . 74.23 109.892 177.497 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 110.291 -0.262 . . . . 74.13 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.43 124.2 0.77 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 109.744 -1.342 . . . . 74.0 109.744 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -73.78 93.52 2.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.202 0.601 . . . . 63.42 110.945 -174.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 30.0 p-80 -111.47 95.71 5.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.546 0.689 . . . . 74.5 109.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -145.55 39.05 1.15 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.891 0.876 . . . . 65.12 110.305 -176.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -128.87 -39.68 1.58 Allowed 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 115.32 -0.855 . . . . 65.44 109.62 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -156.72 114.26 3.18 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.169 -0.923 . . . . 73.32 108.921 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -90.32 136.77 32.85 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.023 0.439 . . . . 44.51 109.851 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -148.08 151.65 36.03 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 124.844 1.257 . . . . 73.33 108.236 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 61.3 64.83 1.04 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.887 0.875 . . . . 75.42 109.853 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -139.43 169.5 17.63 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 114.342 -1.299 . . . . 75.1 109.625 -174.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.77 -19.12 76.2 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 116.102 -0.499 . . . . 64.42 112.46 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m -73.73 114.81 12.42 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 123.67 0.788 . . . . 64.11 110.176 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -160.4 36.84 0.17 Allowed 'General case' 0 C--O 1.244 0.804 0 C-N-CA 124.45 1.1 . . . . 71.24 109.452 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG3' ' CE2' ' A' ' 47' ' ' PHE . 2.2 pm0 -56.81 152.98 11.56 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 114.858 -1.065 . . . . 73.31 111.167 176.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.01 141.06 23.32 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.697 1.199 . . . . 75.31 113.887 -164.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -72.25 -18.13 61.84 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.973 -1.012 . . . . 64.21 111.286 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.71 -34.5 66.67 Favored Glycine 0 C--N 1.349 1.281 0 N-CA-C 111.828 -0.509 . . . . 74.21 111.828 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 23' ' ' ILE . 47.4 t -64.78 -47.53 88.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 C-N-CA 123.105 0.562 . . . . 72.05 109.631 173.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 68.8 t -52.59 -46.78 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.296 1.039 . . . . 71.5 110.54 175.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.69 91.77 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 124.347 1.029 . . . . 51.31 111.892 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.88 -28.46 61.57 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 119.326 -0.369 . . . . 65.14 111.56 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 19' ' ' VAL . 83.7 mt -63.43 -42.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 N-CA-C 109.027 -0.731 . . . . 73.34 109.027 173.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 98.9 mttt -52.91 -45.68 67.7 Favored 'General case' 0 C--N 1.36 1.038 0 O-C-N 124.169 0.918 . . . . 71.35 111.185 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.98 -41.05 37.29 Favored 'General case' 0 C--O 1.212 -0.921 0 O-C-N 123.639 0.587 . . . . 72.21 110.637 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.39 -29.14 65.82 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 118.32 0.509 . . . . 74.43 110.967 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.5 mt -78.54 -58.22 3.36 Favored 'General case' 0 C--O 1.218 -0.59 0 C-N-CA 123.11 0.564 . . . . 73.03 109.636 171.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.3 -31.4 72.0 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.162 0.801 . . . . 71.31 113.162 -167.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.6 p -91.71 -41.35 10.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.683 0.793 . . . . 64.1 111.382 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -100.71 -55.08 2.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.818 0.447 . . . . 74.44 111.263 -171.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.5 mm -84.48 -56.63 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.011 0.524 . . . . 63.21 111.673 -166.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -48.62 -51.39 53.19 Favored Pre-proline 0 N--CA 1.484 1.257 0 CA-C-O 117.416 -1.278 . . . . 71.3 112.282 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 75.5 Cg_exo -52.16 -43.35 53.8 Favored 'Trans proline' 0 C--N 1.409 3.721 0 C-N-CA 122.44 2.094 . . . . 74.23 112.324 176.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -62.84 -48.78 77.59 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.348 1.059 . . . . 73.13 111.512 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 31' ' ' ILE . 8.7 t -69.79 -31.49 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 115.872 -0.604 . . . . 72.14 110.588 -176.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -70.35 -29.71 66.46 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.621 0.768 . . . . 73.2 111.187 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 28.1 mm-40 -68.97 -33.33 73.52 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 121.156 0.503 . . . . 75.54 109.916 171.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -79.97 -19.05 48.81 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.625 -0.716 . . . . 75.41 110.916 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.29 -32.04 4.26 Favored Glycine 0 C--N 1.351 1.414 0 C-N-CA 123.298 0.475 . . . . 52.52 113.274 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.91 -150.17 26.08 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 119.971 -0.35 . . . . 73.35 112.96 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -170.4 158.93 6.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.851 0.86 . . . . 63.0 109.908 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.416 HG13 HG21 ' A' ' 35' ' ' VAL . 34.2 m -117.66 120.35 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 108.318 -0.993 . . . . 62.43 108.318 174.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.3 mp -110.05 120.76 61.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 108.032 -1.099 . . . . 70.52 108.032 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -68.54 122.42 18.43 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.857 -0.423 . . . . 74.04 109.857 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -111.55 -36.74 5.42 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.365 0.666 . . . . 73.11 112.113 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.03 178.33 48.21 Favored Glycine 0 C--N 1.34 0.761 0 C-N-CA 120.672 -0.775 . . . . 72.51 113.762 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.401 ' CE2' ' HG3' ' A' ' 15' ' ' GLU . 24.8 t80 -152.87 109.81 3.48 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 106.67 -1.604 . . . . 74.32 106.67 175.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -151.93 133.41 14.62 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 123.694 0.797 . . . . 63.03 110.099 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 67.95 19.44 9.41 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.743 1.217 . . . . 74.44 111.068 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.78 90.13 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 116.55 -0.295 . . . . 53.22 112.949 -173.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -101.74 111.07 30.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 C-N-CA 123.529 0.732 . . . . 70.41 109.623 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.539 ' HB ' HG22 ' A' ' 88' ' ' VAL . 14.5 t -79.63 107.65 12.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 N-CA-C 107.939 -1.134 . . . . 74.03 107.939 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -90.13 111.74 22.98 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 109.472 -0.566 . . . . 74.31 109.472 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.83 137.19 54.87 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.232 1.013 . . . . 74.2 110.361 -175.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 87.9 tttt -88.31 132.41 34.42 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.009 -0.737 . . . . 52.5 109.009 174.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.456 HD12 HG23 ' A' ' 67' ' ' ILE . 47.9 mt -105.73 143.77 33.41 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 108.968 -0.752 . . . . 71.55 108.968 176.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -98.04 172.78 7.4 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.359 0.664 . . . . 75.43 112.167 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.18 164.32 6.41 Favored Glycine 0 C--N 1.361 1.919 0 CA-C-N 114.598 -1.183 . . . . 74.14 113.652 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m 76.93 -49.82 0.55 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 125.248 1.419 . . . . 62.13 110.535 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.4 t -71.46 -42.01 68.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.481 0.713 . . . . 55.34 110.15 172.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.1 p -76.9 -21.03 55.51 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.915 -0.584 . . . . 45.44 112.067 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -59.93 -39.63 86.15 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.488 0.715 . . . . 72.3 111.439 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 p -110.12 122.88 37.54 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 123.298 0.639 . . . . 64.34 109.527 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.46 -28.62 26.47 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 123.182 2.588 . . . . 65.1 113.992 -168.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.5 m -69.72 -35.81 75.34 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.452 0.301 . . . . 52.02 110.591 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.3 t -64.5 -36.5 84.39 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.752 0.821 . . . . 73.11 111.191 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.456 HG23 HD12 ' A' ' 56' ' ' LEU . 67.6 mt -55.98 -52.62 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.803 0.841 . . . . 44.12 110.466 175.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -71.32 -46.41 65.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 114.51 -1.223 . . . . 65.11 110.879 -173.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 m -60.48 -43.22 97.19 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.754 0.821 . . . . 71.35 111.018 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.1 tp -63.87 -53.79 45.08 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 123.826 0.704 . . . . 62.43 109.929 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.82 -36.88 72.85 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 124.297 0.998 . . . . 51.31 111.153 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -71.48 -41.75 68.96 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.426 0.691 . . . . 73.31 110.997 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.01 -44.22 98.09 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 111.806 -0.518 . . . . 41.42 111.806 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.17 -42.08 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 124.42 1.088 . . . . 55.41 109.999 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.43 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 29.1 tt0 -59.45 -52.71 64.43 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 123.86 0.864 . . . . 60.14 110.118 -177.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -64.7 -32.58 74.32 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 124.238 0.961 . . . . 62.45 110.781 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 47.8 ttp -66.27 -50.96 61.92 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.375 0.67 . . . . 75.45 110.799 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 85' ' ' VAL . 90.4 mt -69.39 -30.42 68.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.569 0.748 . . . . 73.43 111.446 -176.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 47.4 mt-30 -77.65 -24.99 49.31 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.843 0.457 . . . . 74.11 110.928 175.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -73.21 -45.67 54.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.189 0.995 . . . . 73.33 110.326 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -81.76 -44.6 16.79 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.926 0.393 . . . . 71.31 111.424 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.4 HG22 ' H ' ' A' ' 84' ' ' GLU . 41.1 mt -113.19 121.42 38.05 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.712 0.805 . . . . 73.15 110.283 -169.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -67.43 -26.15 41.11 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.966 2.444 . . . . 64.52 113.195 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' H ' HG22 ' A' ' 82' ' ' ILE . 27.2 mm-40 -68.74 -31.48 70.57 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.284 0.633 . . . . 73.21 112.19 -174.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 78' ' ' LEU . 70.7 t -69.69 103.96 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.207 0.527 . . . . 74.3 109.73 178.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.93 -21.13 21.51 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.436 1.094 . . . . 73.12 110.942 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.87 176.67 44.93 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 115.832 -0.622 . . . . 42.44 112.103 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.539 HG22 ' HB ' ' A' ' 52' ' ' VAL . 76.7 t -141.04 138.36 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 107.45 -1.315 . . . . 63.43 107.45 178.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -129.84 146.92 51.56 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.315 0.646 . . . . 63.41 109.787 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -84.24 115.58 22.52 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.198 -1.038 . . . . 75.42 108.198 172.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.0 m -112.94 118.49 58.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 C-N-CA 123.414 0.686 . . . . 71.35 109.393 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.6 ptp -82.55 82.83 7.8 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 122.397 1.094 . . . . 72.03 108.352 172.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -86.81 101.54 13.44 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 114.361 -1.29 . . . . 61.04 107.551 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -155.83 162.26 40.49 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.113 -0.494 . . . . 71.25 110.851 -168.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -152.92 15.81 0.56 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.7 1.2 . . . . 61.11 110.469 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.2 p -145.58 -65.57 0.32 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 122.703 0.401 . . . . 75.04 111.144 -171.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 N--CA 1.484 1.27 0 C-N-CA 123.483 0.713 . . . . 62.23 109.479 178.286 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptp . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 121.16 0.505 . . . . 73.35 110.493 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.39 -88.87 0.21 Allowed Glycine 0 C--N 1.347 1.191 0 CA-C-N 115.581 -0.736 . . . . 74.22 112.964 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 61.68 48.13 5.83 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.82 1.248 . . . . 61.24 109.739 -174.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -69.14 142.43 54.37 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.0 -1.454 . . . . 74.23 110.077 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -81.48 70.91 8.45 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.892 0.853 . . . . 72.31 110.311 -175.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -69.01 -54.63 14.16 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.707 1.203 . . . . 64.44 111.28 -172.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -61.19 -31.18 70.93 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.195 0.598 . . . . 75.22 112.506 -170.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.5 m80 67.75 -66.84 0.2 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.11 1.364 . . . . 72.44 112.927 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.0 m -37.23 101.0 0.02 OUTLIER 'General case' 0 C--N 1.359 1.004 0 C-N-CA 125.657 1.583 . . . . 63.12 113.476 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -73.42 115.87 13.3 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.964 -1.016 . . . . 70.1 109.94 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.3 ttm -79.34 82.31 5.5 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 108.933 -0.765 . . . . 74.25 108.933 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.15 177.64 25.17 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 114.837 -1.074 . . . . 51.43 111.448 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.5 m -87.54 58.22 4.82 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.59 0.756 . . . . 63.04 110.375 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.7 -174.69 5.09 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.994 0.917 . . . . 52.03 111.659 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 65.16 21.09 12.11 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.381 1.086 . . . . 74.31 109.176 -167.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -80.2 -172.36 3.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.641 1.576 . . . . 63.11 112.542 -165.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.495 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 7.3 p-10 -61.2 -19.64 61.85 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.685 1.194 . . . . 72.12 112.846 -174.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.08 -49.18 63.53 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 111.703 -0.559 . . . . 71.45 111.703 173.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 23' ' ' ILE . 47.2 t -63.47 -48.02 88.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.636 0.774 . . . . 60.15 109.996 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.495 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 49.9 t -55.71 -43.02 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 125.261 1.424 . . . . 73.12 111.738 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.28 84.51 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.657 0.783 . . . . 62.03 112.008 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.2 ptm -73.57 -26.62 60.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.356 -0.384 . . . . 65.11 111.27 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 19' ' ' VAL . 70.0 mt -64.74 -49.24 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 108.829 -0.804 . . . . 62.33 108.829 172.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -50.88 -46.05 60.3 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.126 0.97 . . . . 64.05 112.056 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.17 -42.41 65.91 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 123.543 0.527 . . . . 55.33 110.298 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -64.61 -26.55 68.45 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.192 0.597 . . . . 72.55 111.162 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 76.4 mt -74.94 -54.26 7.54 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.549 -0.537 . . . . 71.04 109.549 171.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.99 -22.51 64.09 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.57 -0.741 . . . . 74.54 112.079 -169.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.2 p -91.26 -39.05 12.29 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.803 0.841 . . . . 75.04 111.059 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 59.1 mtp180 -109.9 -60.83 1.74 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.824 0.45 . . . . 72.43 112.205 -171.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.7 mm -74.93 -60.81 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 119.066 -0.492 . . . . 73.25 111.163 -165.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 75.1 mtp180 -47.18 -51.52 40.98 Favored Pre-proline 0 C--N 1.367 1.336 0 CA-C-O 117.292 -1.337 . . . . 73.32 111.852 -178.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 99.7 Cg_exo -49.18 -47.04 23.39 Favored 'Trans proline' 0 C--N 1.404 3.459 0 C-N-CA 122.873 2.382 . . . . 72.11 113.818 175.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 m -63.84 -46.19 86.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.741 0.816 . . . . 71.11 111.125 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.758 HG13 ' SG ' ' A' ' 60' ' ' CYS . 40.5 t -69.77 -33.78 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 123.937 0.895 . . . . 64.25 110.819 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 70.5 mt-30 -64.49 -40.94 96.62 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.863 0.865 . . . . 72.22 110.755 176.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.59 -32.4 72.27 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.823 0.702 . . . . 74.01 111.209 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.61 -23.31 61.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.041 0.536 . . . . 62.51 110.395 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.44 -20.85 5.79 Favored Glycine 0 C--N 1.342 0.882 0 CA-C-N 116.354 -0.384 . . . . 53.32 113.052 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -98.24 -141.68 12.51 Favored Glycine 0 C--N 1.342 0.864 0 CA-C-O 120.079 -0.289 . . . . 33.22 113.487 -178.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -178.73 159.93 1.13 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.773 1.629 . . . . 51.14 108.194 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.74 112.58 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 108.944 -0.762 . . . . 71.51 108.944 175.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.526 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.3 mp -97.54 117.6 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 107.988 -1.116 . . . . 74.41 107.988 -178.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -67.46 112.1 4.46 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.854 0.462 . . . . 72.41 110.059 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -97.6 -32.77 11.62 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.153 0.981 . . . . 71.13 111.471 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.26 -170.48 42.59 Favored Glycine 0 C--N 1.343 0.928 0 C-N-CA 120.767 -0.73 . . . . 74.41 113.796 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -153.43 108.58 3.19 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.949 -1.13 . . . . 72.03 107.949 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -135.28 125.06 25.41 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 108.672 -0.862 . . . . 75.44 108.672 -171.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.4 t70 66.86 24.66 9.71 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.623 1.169 . . . . 74.21 111.029 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.7 11.47 83.95 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 115.716 -0.674 . . . . 31.34 113.031 -175.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.5 mm -108.72 116.62 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 123.547 0.739 . . . . 72.52 109.544 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.464 ' HB ' HG22 ' A' ' 88' ' ' VAL . 16.4 t -80.08 107.84 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.777 0.831 . . . . 74.12 109.463 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -82.69 113.78 20.6 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 109.341 -0.615 . . . . 62.23 109.341 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.9 mt -126.72 140.32 52.48 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.388 1.075 . . . . 61.23 109.787 -177.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.526 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 42.2 tttm -93.36 113.15 25.25 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.651 -0.87 . . . . 74.43 108.651 176.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.574 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 18.8 mt -89.18 135.06 33.78 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.367 -0.975 . . . . 53.41 108.367 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -94.22 177.4 5.97 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.126 0.97 . . . . 74.43 109.526 175.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.8 168.07 1.49 Allowed Glycine 0 C--N 1.356 1.652 0 O-C-N 123.726 0.641 . . . . 73.44 114.513 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.6 m 76.53 -53.13 0.59 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.756 1.622 . . . . 72.44 111.398 -172.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.758 ' SG ' HG13 ' A' ' 35' ' ' VAL . 70.1 m -75.01 -30.88 61.26 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.76 0.824 . . . . 73.23 111.684 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.8 p -78.85 -10.19 59.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.239 0.616 . . . . 55.25 111.959 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 m -66.94 108.91 2.75 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 123.23 0.612 . . . . 75.4 109.865 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 84.2 m 72.97 139.05 0.06 OUTLIER Pre-proline 0 CA--C 1.56 1.361 0 C-N-CA 125.048 1.339 . . . . 73.21 111.469 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -56.6 -35.43 97.16 Favored 'Trans proline' 0 C--N 1.386 2.52 0 C-N-CA 123.177 2.585 . . . . 75.21 113.053 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -60.98 -38.45 86.03 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.224 0.61 . . . . 64.33 112.336 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 m -68.51 -39.74 81.11 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.874 0.47 . . . . 71.14 110.905 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.4 mt -58.32 -47.47 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.149 0.98 . . . . 72.35 110.619 173.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.5 -43.99 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.968 0.907 . . . . 75.12 110.666 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.8 m -64.44 -46.67 82.16 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.25 0.62 . . . . 75.54 111.189 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.423 HD23 HD13 ' A' ' 56' ' ' LEU . 45.2 tp -62.86 -52.0 64.83 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.896 0.747 . . . . 72.12 109.996 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HG2' ' HB ' ' A' ' 88' ' ' VAL . 1.1 tmmt? -54.66 -42.09 70.92 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.878 1.271 . . . . 64.34 111.593 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -71.48 -38.44 71.23 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.462 0.705 . . . . 75.42 111.646 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.63 -49.65 67.56 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 111.962 -0.455 . . . . 54.2 111.962 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.6 mt -58.31 -48.9 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.585 1.154 . . . . 74.05 110.22 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -55.19 -60.52 3.27 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.56 1.163 . . . . 73.45 111.209 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -64.31 -33.9 76.9 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.176 0.923 . . . . 73.5 111.5 -173.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.468 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 38.5 ttp -62.8 -55.36 27.08 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.791 0.682 . . . . 51.23 109.75 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.478 ' HB3' HG21 ' A' ' 85' ' ' VAL . 95.2 mt -60.4 -35.93 76.9 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.674 0.789 . . . . 73.44 111.443 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 97.5 mt-30 -64.28 -29.57 70.66 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.775 0.83 . . . . 72.14 112.114 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -66.51 -35.93 81.46 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.505 0.722 . . . . 75.31 110.682 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -94.96 -29.21 14.76 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.171 0.588 . . . . 61.53 111.244 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.1 mt -131.54 115.53 15.98 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 124.083 0.953 . . . . 63.14 109.874 -166.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.88 -23.96 34.4 Favored 'Trans proline' 0 C--N 1.369 1.654 0 C-N-CA 123.182 2.588 . . . . 61.31 113.01 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -63.07 -38.93 93.13 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 74.41 112.111 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.478 HG21 ' HB3' ' A' ' 78' ' ' LEU . 78.4 t -64.72 98.6 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-O 121.512 0.672 . . . . 62.34 110.867 -177.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -80.28 -39.44 28.84 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.958 -1.019 . . . . 70.32 110.302 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -160.42 -177.66 33.71 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.073 -0.512 . . . . 43.13 112.941 -175.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.464 HG22 ' HB ' ' A' ' 52' ' ' VAL . 73.2 t -135.05 132.44 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.835 1.254 . . . . 73.43 107.67 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -114.54 135.75 53.78 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.422 1.089 . . . . 72.02 109.175 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.574 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 47.5 tt0 -86.26 132.62 33.95 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 109.339 -0.615 . . . . 63.2 109.339 171.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 11.8 m -129.22 150.9 35.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.903 1.281 . . . . 70.43 108.109 173.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 18.8 ptm -140.8 132.05 26.56 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.695 0.398 . . . . 51.34 110.317 -176.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.4 139.58 40.99 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.811 0.844 . . . . 65.5 109.967 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.7 t70 60.54 86.16 0.1 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.789 1.236 . . . . 73.44 111.734 175.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -114.63 -15.23 12.0 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 114.983 -1.008 . . . . 73.5 109.599 169.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.5 t -155.61 100.28 2.08 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 124.807 1.243 . . . . 51.24 108.13 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 N--CA 1.476 0.858 0 C-N-CA 123.075 0.55 . . . . 63.1 110.041 -177.307 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.1 tpp . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 108.274 -1.01 . . . . 73.32 108.274 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.1 -65.42 3.98 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 114.467 0.547 . . . . 32.55 114.467 167.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.1 m170 -65.35 -12.73 54.87 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.291 1.036 . . . . 72.23 113.215 -166.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -91.94 56.63 2.95 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.962 0.905 . . . . 71.2 109.004 173.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -70.22 -33.13 71.3 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.571 0.748 . . . . 75.01 110.758 175.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -66.73 100.5 0.7 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.469 0.708 . . . . 74.13 110.194 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -121.48 148.58 44.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.206 1.002 . . . . 74.35 109.571 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -144.19 125.01 14.21 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.065 0.946 . . . . 72.14 109.292 173.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.0 m -71.35 100.91 2.25 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 107.362 -1.347 . . . . 74.04 107.362 165.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -131.36 31.76 4.31 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.388 0.613 . . . . 74.33 110.764 -165.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 80.0 mtp -69.76 -31.52 69.52 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.087 -1.079 . . . . 72.32 108.087 159.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.61 -84.6 0.06 OUTLIER Glycine 0 CA--C 1.521 0.437 0 N-CA-C 107.825 -2.11 . . . . 60.21 107.825 161.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -155.74 -57.55 0.1 Allowed 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.141 -1.429 . . . . 73.12 107.141 173.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.25 98.59 4.15 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 106.144 -1.798 . . . . 73.32 106.144 173.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -65.79 162.5 18.64 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.572 0.749 . . . . 75.2 111.474 -168.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.3 m-20 -65.52 78.06 0.07 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.116 0.967 . . . . 55.31 112.959 -169.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.19 -23.86 63.03 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.808 0.843 . . . . 70.34 111.413 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.9 -49.22 64.15 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.746 0.654 . . . . 72.4 112.077 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 23' ' ' ILE . 84.7 t -60.55 -49.35 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.617 0.767 . . . . 75.22 109.936 175.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.506 HG12 ' HE3' ' A' ' 24' ' ' LYS . 74.8 t -55.5 -45.65 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.411 1.085 . . . . 73.43 111.471 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.76 -40.38 72.68 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.837 0.855 . . . . 73.13 111.795 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.412 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.1 ptm -73.36 -28.51 62.08 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 119.177 -0.44 . . . . 72.02 110.64 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 19' ' ' VAL . 86.9 mt -62.74 -47.4 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 N-CA-C 109.139 -0.689 . . . . 71.21 109.139 170.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.506 ' HE3' HG12 ' A' ' 20' ' ' VAL . 99.7 mttt -51.53 -46.23 63.25 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 124.111 0.882 . . . . 64.11 111.898 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.58 -35.87 52.6 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 119.065 -0.493 . . . . 52.33 110.825 -176.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 22' ' ' MET . 71.6 mt -61.59 -30.55 70.75 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 118.39 0.541 . . . . 61.44 110.446 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.5 mt -72.91 -52.82 13.17 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.494 -0.558 . . . . 74.4 109.494 170.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.28 -27.92 69.67 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.319 1.048 . . . . 70.02 112.975 -170.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.2 p -95.55 -36.39 11.29 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.833 0.853 . . . . 73.4 111.321 -177.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -107.08 -57.5 2.06 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.008 0.523 . . . . 72.31 111.819 -171.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.7 mm -81.59 -62.63 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 119.286 -0.387 . . . . 74.2 111.223 -167.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.43 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 78.7 mtp180 -45.71 -53.58 19.44 Favored Pre-proline 0 C--N 1.364 1.213 0 CA-C-O 117.141 -1.409 . . . . 73.33 112.381 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.43 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 80.5 Cg_exo -51.19 -43.32 49.39 Favored 'Trans proline' 0 C--N 1.407 3.636 0 C-N-CA 122.757 2.305 . . . . 64.53 113.018 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -65.95 -42.42 89.99 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.31 1.044 . . . . 65.1 111.202 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.469 HG13 ' SG ' ' A' ' 60' ' ' CYS . 38.3 t -71.26 -32.5 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.69 0.796 . . . . 74.33 110.894 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -69.75 -34.49 73.89 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.459 0.704 . . . . 73.04 110.466 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -69.13 -35.71 76.7 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.547 0.739 . . . . 74.54 110.564 171.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -67.89 -23.55 65.13 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.02 0.928 . . . . 73.52 111.314 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.68 34.29 2.88 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 116.385 -0.37 . . . . 65.14 112.466 175.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.16 -142.14 3.41 Favored Glycine 0 C--N 1.339 0.714 0 N-CA-C 110.587 -1.005 . . . . 72.44 110.587 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -178.32 161.36 1.41 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.627 1.171 . . . . 75.52 108.95 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.403 HG23 ' HG2' ' A' ' 32' ' ' ARG . 27.8 m -126.79 119.97 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.178 -1.045 . . . . 63.44 108.178 175.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -106.1 129.81 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.048 -1.093 . . . . 74.12 108.048 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -69.77 116.31 10.01 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.262 0.351 . . . . 74.4 110.211 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 71.7 mmtt -106.14 -20.44 13.41 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.473 0.709 . . . . 71.44 111.933 -178.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 163.66 -172.4 39.56 Favored Glycine 0 C--N 1.346 1.116 0 C-N-CA 120.732 -0.747 . . . . 45.33 114.332 171.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -148.16 108.35 4.09 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 106.753 -1.573 . . . . 72.15 106.753 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -124.17 104.41 8.83 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.374 -0.973 . . . . 74.42 108.374 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 53.63 59.15 4.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.255 1.022 . . . . 63.4 111.55 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.41 -16.59 33.88 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-N 115.033 -0.985 . . . . 74.51 114.696 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mm -95.01 110.9 24.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 117.026 0.413 . . . . 72.34 110.264 -173.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.465 HG21 HD13 ' A' ' 78' ' ' LEU . 38.7 t -81.01 104.27 9.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.78 -0.822 . . . . 64.33 108.78 178.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -85.98 119.81 26.69 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.151 0.58 . . . . 75.12 109.516 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -129.95 137.8 50.53 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.036 0.935 . . . . 52.41 111.066 -173.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -88.17 113.96 24.31 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.667 0.787 . . . . 72.04 109.223 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.4 mt -89.71 133.78 34.5 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.471 -0.937 . . . . 74.14 108.471 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -92.8 175.3 6.86 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.229 0.612 . . . . 74.0 109.966 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.49 162.01 5.43 Favored Glycine 0 C--N 1.357 1.71 0 C-N-CA 124.008 0.813 . . . . 40.13 113.752 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m 75.06 -61.0 0.5 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.584 1.554 . . . . 55.55 110.094 -170.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.469 ' SG ' HG13 ' A' ' 35' ' ' VAL . 33.0 m -63.96 -42.04 97.4 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.477 1.111 . . . . 65.22 111.701 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.6 t -87.45 -6.07 58.56 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.185 0.594 . . . . 72.34 111.649 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.8 m -88.27 -7.61 56.5 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.489 0.716 . . . . 71.34 112.561 -173.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.4 p -143.18 127.69 9.65 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.476 0.71 . . . . 62.43 109.329 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.09 -25.65 77.55 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.992 2.461 . . . . 70.42 112.966 -175.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -60.28 -48.89 79.8 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.29 0.636 . . . . 71.11 110.868 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.5 m -72.17 -34.23 68.31 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.106 -0.497 . . . . 70.05 111.372 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.15 -46.76 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.794 0.438 . . . . 62.12 110.879 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.9 mt -67.33 -52.48 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.784 0.834 . . . . 51.33 110.947 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.4 m -59.52 -46.21 89.5 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.169 0.588 . . . . 55.11 111.115 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.55 -56.44 15.96 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.709 0.804 . . . . 70.31 110.439 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -44.08 75.54 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.285 1.034 . . . . 64.13 111.363 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -67.99 -40.85 83.0 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.538 0.735 . . . . 64.32 111.374 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.08 96.27 Favored Glycine 0 CA--C 1.526 0.737 0 O-C-N 123.135 0.272 . . . . 35.43 112.527 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.71 -41.32 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.346 1.058 . . . . 73.5 109.923 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -62.19 -56.17 21.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.896 0.879 . . . . 61.45 110.744 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -64.81 -26.38 68.32 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.334 0.654 . . . . 75.31 111.901 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.1 ttp -69.1 -60.48 2.33 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.014 -0.365 . . . . 72.42 110.014 174.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.519 ' HB3' HG21 ' A' ' 85' ' ' VAL . 97.1 mt -60.56 -39.9 89.67 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 123.821 0.848 . . . . 72.21 111.571 -175.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 94.1 mt-30 -66.07 -34.18 77.49 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.348 0.659 . . . . 61.22 111.898 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.45 -33.85 75.64 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.674 0.79 . . . . 64.54 110.725 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -101.32 -26.49 13.6 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.546 0.739 . . . . 73.44 111.885 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.6 mt -136.77 99.35 10.35 Favored Pre-proline 0 N--CA 1.483 1.208 0 C-N-CA 124.429 1.092 . . . . 54.42 108.989 -167.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.45 -10.79 29.72 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.831 2.354 . . . . 65.25 113.205 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -65.9 -35.97 82.09 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.331 0.653 . . . . 61.1 110.909 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' A' ' 78' ' ' LEU . 98.3 t -68.54 117.23 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.103 0.561 . . . . 64.43 109.783 177.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -98.21 -27.53 14.12 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.514 1.126 . . . . 74.34 110.477 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.81 -179.14 43.35 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.994 -0.548 . . . . 72.25 112.53 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.439 HG22 ' HB ' ' A' ' 52' ' ' VAL . 75.8 t -131.53 138.57 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.508 1.123 . . . . 54.44 108.308 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -122.39 141.55 51.46 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.694 0.797 . . . . 64.21 109.843 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -85.44 112.76 21.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.687 0.795 . . . . 74.4 109.151 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.5 m -117.01 109.13 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 108.9 -0.778 . . . . 62.41 108.9 171.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 92.2 mtp -86.03 85.43 7.37 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.773 0.796 . . . . 75.55 108.86 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' HB3' ' HE3' ' A' ' 45' ' ' LYS . 17.3 t70 -73.01 87.37 1.35 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.553 -1.203 . . . . 73.13 110.533 -177.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -169.17 160.38 9.66 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.687 0.795 . . . . 61.53 110.678 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -76.67 -14.74 59.94 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 114.471 -1.241 . . . . 73.43 111.734 -176.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.4 m 66.04 17.99 10.92 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.665 1.186 . . . . 51.04 113.757 171.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.809 -0.615 . . . . 62.41 109.847 177.231 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.463 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.327 -0.619 . . . . 74.41 109.327 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.07 -144.33 46.21 Favored Glycine 0 C--N 1.355 1.605 0 O-C-N 123.755 0.66 . . . . 55.12 113.019 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -124.44 105.82 9.72 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.165 0.986 . . . . 64.35 108.864 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -109.8 97.64 7.13 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 122.168 0.985 . . . . 74.35 111.112 -177.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -77.72 -0.79 28.2 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-N 114.377 -1.283 . . . . 73.45 109.805 166.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -101.7 119.79 39.33 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.311 1.045 . . . . 64.44 109.394 169.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.8 m80 53.07 67.61 0.97 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.225 1.41 . . . . 65.33 113.293 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -75.12 -49.08 20.74 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 107.819 -1.178 . . . . 75.32 107.819 166.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 m -69.33 148.63 49.43 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.45 -1.25 . . . . 73.33 110.601 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -132.87 91.61 2.92 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.887 0.875 . . . . 63.23 110.032 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -141.84 119.91 12.09 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 108.324 -0.991 . . . . 72.4 108.324 172.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.69 48.35 73.46 Favored Glycine 0 C--N 1.35 1.311 0 N-CA-C 110.235 -1.146 . . . . 52.4 110.235 -168.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.65 ' H ' ' HG2' ' A' ' 48' ' ' GLU . 50.0 m -70.2 85.18 0.55 Allowed 'General case' 0 C--O 1.24 0.597 0 C-N-CA 124.327 1.051 . . . . 74.35 111.964 -170.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.693 ' HG2' ' HB3' ' A' ' 47' ' ' PHE . 36.8 mt-10 -118.17 97.6 5.88 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.117 1.367 . . . . 74.33 107.433 178.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -37.48 23.73 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 120.959 0.409 . . . . 63.11 110.489 -178.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -115.62 114.21 24.6 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.838 0.855 . . . . 71.32 110.213 -169.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.47 -31.06 71.56 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.183 0.993 . . . . 72.32 111.924 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.65 97.23 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 123.654 0.596 . . . . 61.12 113.197 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.05 -48.99 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.658 0.783 . . . . 75.11 109.944 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.432 HG12 ' HE3' ' A' ' 24' ' ' LYS . 89.8 t -55.15 -44.3 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.465 1.106 . . . . 63.1 111.239 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.09 85.57 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.257 1.023 . . . . 74.54 111.604 -175.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.6 ptm -78.58 -22.38 47.2 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.624 -0.262 . . . . 72.31 111.333 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.09 -51.14 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 108.2 -1.037 . . . . 63.3 108.2 168.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HE3' HG12 ' A' ' 20' ' ' VAL . 97.8 mttt -53.1 -41.83 65.33 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.372 1.045 . . . . 73.43 111.6 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.52 -42.16 59.38 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 118.795 -0.621 . . . . 64.13 110.399 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.89 -35.02 77.11 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 118.495 0.589 . . . . 62.04 110.866 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.0 mt -66.63 -54.92 18.11 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.537 -0.756 . . . . 53.21 109.986 172.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.49 -31.23 71.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.645 0.778 . . . . 43.21 112.474 -168.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.5 p -91.09 -35.02 14.84 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.532 0.733 . . . . 71.21 111.946 -175.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -105.41 -59.47 1.76 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.803 0.441 . . . . 74.21 111.195 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.9 mm -73.57 -61.2 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 115.504 -0.771 . . . . 71.13 110.324 -164.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HG2' HG22 ' A' ' 42' ' ' VAL . 70.2 mtp180 -48.13 -50.64 54.21 Favored Pre-proline 0 CA--C 1.559 1.295 0 CA-C-O 116.94 -1.505 . . . . 62.2 112.278 -177.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 81.1 Cg_exo -49.67 -54.54 5.29 Favored 'Trans proline' 0 C--N 1.411 3.858 0 C-N-CA 122.896 2.397 . . . . 74.01 113.166 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.6 m -60.21 -44.92 94.76 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.236 1.014 . . . . 64.21 111.735 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.636 HG13 ' SG ' ' A' ' 60' ' ' CYS . 64.0 t -68.8 -34.43 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 C-N-CA 124.461 1.104 . . . . 73.13 110.525 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.17 -26.86 59.4 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.341 0.656 . . . . 75.03 111.482 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 15.3 mm-40 -65.56 -34.52 78.43 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.796 0.438 . . . . 74.45 109.858 172.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -80.04 -24.04 40.99 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.408 -0.814 . . . . 74.01 110.445 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.75 -21.15 7.6 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.442 -0.345 . . . . 73.24 113.243 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.58 -162.11 30.99 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 122.832 0.253 . . . . 62.4 113.326 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -169.84 156.43 6.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.23 1.012 . . . . 74.01 108.705 176.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.424 HG22 ' HG2' ' A' ' 32' ' ' ARG . 17.0 m -121.8 121.54 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 N-CA-C 108.402 -0.962 . . . . 44.33 108.402 177.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.8 mp -107.6 117.4 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 107.926 -1.138 . . . . 72.01 107.926 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -67.6 112.39 4.71 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 109.539 -0.541 . . . . 63.23 109.539 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.564 ' HD3' ' HB3' ' A' ' 93' ' ' ASP . 10.5 mmpt? -95.12 -49.97 5.28 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.871 0.868 . . . . 71.45 111.185 -176.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.5 -174.08 36.91 Favored Glycine 0 C--N 1.345 1.051 0 C-N-CA 121.246 -0.502 . . . . 54.23 113.458 -174.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.693 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . 84.9 t80 -158.14 123.28 4.38 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 107.458 -1.312 . . . . 73.11 107.458 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.65 ' HG2' ' H ' ' A' ' 13' ' ' SER . 41.3 mt-10 -126.49 111.56 14.55 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.442 -0.577 . . . . 72.35 109.442 174.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 70.85 -72.59 0.11 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.028 1.331 . . . . 73.34 110.365 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.517 ' HA3' ' HG2' ' A' ' 86' ' ' GLU . . . -147.61 3.57 0.86 Allowed Glycine 0 C--N 1.343 0.951 0 CA-C-N 115.972 -0.558 . . . . 42.03 113.271 174.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.9 mm -91.13 106.46 17.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 N-CA-C 109.335 -0.617 . . . . 74.41 109.335 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.577 ' HB ' HG22 ' A' ' 88' ' ' VAL . 47.6 t -79.09 105.5 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 124.344 1.058 . . . . 72.1 108.651 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' HB3' HG21 ' A' ' 91' ' ' VAL . 79.3 mt-30 -83.38 116.82 22.65 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.156 0.582 . . . . 74.21 109.735 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.6 mt -124.3 133.99 53.32 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.462 1.105 . . . . 73.33 110.225 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 64.8 tttp -88.29 109.36 19.9 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.05 -1.092 . . . . 74.23 108.05 171.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.541 HD13 HD23 ' A' ' 70' ' ' LEU . 46.5 mt -88.07 145.22 26.07 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.049 -1.093 . . . . 73.33 108.049 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -99.64 175.68 5.73 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.254 0.622 . . . . 71.41 109.705 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.11 -174.53 4.45 Favored Glycine 0 C--N 1.353 1.491 0 O-C-N 123.684 0.615 . . . . 64.01 113.709 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.6 m 73.51 -60.43 0.53 Allowed 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.504 1.521 . . . . 75.22 111.098 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.636 ' SG ' HG13 ' A' ' 35' ' ' VAL . 57.7 m -75.99 -6.5 51.25 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.205 1.002 . . . . 72.41 112.065 176.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.9 p -125.13 37.82 4.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.922 0.889 . . . . 73.1 110.333 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.3 m -61.88 -32.35 72.71 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.087 0.555 . . . . 64.24 112.379 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 77.4 m -137.94 157.32 73.38 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.016 0.926 . . . . 63.2 109.717 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -49.8 -38.34 46.91 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 123.137 2.558 . . . . 61.34 113.351 171.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t -71.74 -30.86 66.06 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.32 0.648 . . . . 64.03 111.491 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.5 m -63.69 -41.75 98.1 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.663 0.385 . . . . 63.44 110.027 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.45 -51.24 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.217 1.007 . . . . 72.1 110.857 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.59 -46.16 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.997 0.919 . . . . 55.54 110.976 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.5 m -64.83 -45.63 85.33 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.224 0.61 . . . . 62.05 111.033 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 56' ' ' LEU . 56.3 tp -62.46 -51.84 65.87 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.441 0.463 . . . . 63.1 110.533 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.4 -44.68 76.4 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.602 1.561 . . . . 62.21 111.266 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -70.4 -39.29 74.58 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.631 0.772 . . . . 54.34 111.45 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.86 -47.93 85.02 Favored Glycine 0 C--N 1.342 0.899 0 N-CA-C 112.033 -0.427 . . . . 74.33 112.033 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.5 mt -60.57 -44.89 97.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 123.92 0.888 . . . . 75.23 109.838 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -58.11 -57.52 12.5 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.585 1.154 . . . . 64.33 111.828 -175.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.54 -28.42 66.0 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 123.762 0.664 . . . . 42.5 111.655 -176.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 32.7 ttp -65.21 -49.6 69.11 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 109.969 -0.382 . . . . 64.23 109.969 173.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.544 ' HB3' HG21 ' A' ' 85' ' ' VAL . 94.7 mt -63.33 -35.11 79.28 Favored 'General case' 0 C--O 1.211 -0.948 0 C-N-CA 123.541 0.736 . . . . 63.02 110.661 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -72.82 -27.98 62.29 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.251 0.62 . . . . 72.42 111.989 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -70.79 -44.74 65.99 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.437 0.695 . . . . 73.34 110.487 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -89.14 -36.52 15.65 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.089 0.556 . . . . 75.33 111.579 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.4 mt -118.84 107.06 42.84 Favored Pre-proline 0 N--CA 1.482 1.158 0 C-N-CA 124.145 0.978 . . . . 74.53 109.197 -174.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -70.37 -6.3 18.58 Favored 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.954 2.436 . . . . 55.42 113.219 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.43 -20.14 57.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.444 0.697 . . . . 71.45 111.501 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 78' ' ' LEU . 58.6 t -82.62 122.12 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.401 0.68 . . . . 73.45 110.727 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.517 ' HG2' ' HA3' ' A' ' 50' ' ' GLY . 29.5 mm-40 -91.37 -37.78 13.02 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.691 1.196 . . . . 64.23 110.52 172.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.25 -179.86 39.9 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 115.465 -0.789 . . . . 51.14 112.791 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.577 HG22 ' HB ' ' A' ' 52' ' ' VAL . 46.2 t -130.17 132.3 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.847 1.259 . . . . 72.11 108.006 172.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -112.4 138.99 48.35 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.382 -0.599 . . . . 71.33 109.382 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -86.48 116.17 24.45 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.365 -0.976 . . . . 74.33 108.365 170.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.441 HG21 ' HB3' ' A' ' 53' ' ' GLN . 2.5 m -124.58 115.97 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.962 0.905 . . . . 72.31 109.186 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 21.2 ptm -84.8 82.6 8.36 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 122.58 1.181 . . . . 63.54 108.473 170.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.564 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 15.2 t70 -108.11 93.37 4.49 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 106.601 -1.629 . . . . 75.14 106.601 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -105.14 157.0 17.56 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.913 -1.04 . . . . 74.13 109.618 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.14 15.51 1.17 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.111 1.364 . . . . 73.32 110.25 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t -130.86 31.21 4.52 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.604 1.162 . . . . 70.34 109.598 -171.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.487 1.403 0 C-N-CA 124.332 1.053 . . . . 62.32 111.313 -179.703 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 111.681 0.252 . . . . 74.43 111.681 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.72 15.47 30.98 Favored Glycine 0 C--N 1.35 1.338 0 CA-C-O 119.133 -0.815 . . . . 53.14 115.02 -171.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -158.51 111.49 2.34 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 117.65 0.725 . . . . 62.51 110.354 176.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -131.12 57.63 1.75 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.904 1.282 . . . . 64.12 108.669 173.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -68.42 101.41 1.23 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.665 0.786 . . . . 73.42 109.93 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -153.21 38.92 0.5 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.188 0.595 . . . . 72.24 110.685 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 67.5 t60 70.9 78.32 0.18 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.251 1.02 . . . . 64.32 110.306 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -78.95 -41.09 30.16 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.503 0.721 . . . . 72.55 111.084 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.6 m -80.94 94.53 6.53 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.735 -0.839 . . . . 55.52 108.735 173.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -76.24 73.69 3.05 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.231 0.612 . . . . 63.12 109.914 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.4 tpt -101.24 124.0 46.24 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 124.504 1.122 . . . . 75.04 109.818 -176.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.03 80.47 0.53 Allowed Glycine 0 C--N 1.346 1.128 0 O-C-N 123.745 0.653 . . . . 73.24 113.013 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.6 t -69.76 111.93 5.86 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 109.104 -0.702 . . . . 64.03 109.104 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -175.44 2.51 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.663 0.785 . . . . 74.13 112.269 -174.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -155.67 30.73 0.37 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.48 1.112 . . . . 72.45 109.385 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.06 134.6 56.57 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.324 1.05 . . . . 75.24 111.854 -170.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -68.89 -24.15 64.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.884 0.873 . . . . 74.41 111.227 -177.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.79 -44.7 88.63 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 111.994 -0.442 . . . . 71.11 111.994 173.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.84 -51.88 68.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 123.65 0.78 . . . . 55.01 110.212 174.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.29 -46.59 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.638 1.175 . . . . 63.31 111.592 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.86 -47.43 86.42 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.94 0.896 . . . . 72.24 112.183 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.403 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.5 ptm -74.71 -23.8 58.65 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 119.084 -0.484 . . . . 75.41 111.445 -177.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.69 -47.34 86.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.003 0 N-CA-C 108.573 -0.899 . . . . 70.33 108.573 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -56.23 -37.24 69.45 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.803 0.689 . . . . 73.34 111.188 176.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.09 -50.7 45.92 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.504 0.722 . . . . 53.51 110.671 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 22' ' ' MET . 96.2 mt -62.47 -31.1 71.78 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.684 0.794 . . . . 75.31 111.147 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.93 -53.2 13.85 Favored 'General case' 0 C--O 1.214 -0.775 0 N-CA-C 109.181 -0.674 . . . . 74.22 109.181 173.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 23.0 t70 -60.26 -48.46 81.65 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.441 0.696 . . . . 74.01 112.512 -170.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.7 p -81.56 -36.23 29.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.485 0.714 . . . . 62.33 112.395 -172.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' NH1' ' HG3' ' A' ' 77' ' ' MET . 7.8 mtp-105 -103.03 -52.71 2.99 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.658 0.383 . . . . 64.33 111.735 -169.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 35' ' ' VAL . 44.0 mm -85.59 -57.27 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.411 0.685 . . . . 71.34 111.292 -168.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 52.9 mtp180 -45.32 -55.89 10.71 Favored Pre-proline 0 N--CA 1.483 1.212 0 CA-C-O 117.103 -1.427 . . . . 74.25 112.988 -176.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -60.59 -35.72 88.67 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 122.051 1.834 . . . . 74.44 111.898 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.3 m -65.12 -44.96 87.02 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.182 0.993 . . . . 71.12 111.033 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 31' ' ' ILE . 40.1 t -71.79 -26.93 26.52 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 123.958 0.903 . . . . 55.02 110.71 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -79.19 -25.47 42.74 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.297 0.639 . . . . 55.21 110.928 176.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -75.02 -25.89 59.11 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.964 0.506 . . . . 55.42 110.114 168.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -79.31 -21.34 46.08 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.377 172.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.4 -32.13 3.45 Favored Glycine 0 C--N 1.347 1.186 0 CA-C-O 120.053 -0.304 . . . . 40.34 113.52 170.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.52 -137.74 9.72 Favored Glycine 0 C--N 1.344 1.027 0 CA-C-O 119.448 -0.64 . . . . 73.14 112.668 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -173.32 164.84 4.74 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.541 0.736 . . . . 71.21 109.772 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.84 111.97 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 124.228 1.011 . . . . 73.32 108.978 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.494 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 2.0 mp -99.24 119.79 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.142 -1.059 . . . . 60.03 108.142 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -74.06 107.16 6.1 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.103 -0.703 . . . . 74.13 109.103 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -89.25 -42.27 11.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.488 -0.778 . . . . 71.22 110.559 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.52 -175.91 43.33 Favored Glycine 0 C--N 1.347 1.174 0 C-N-CA 120.668 -0.777 . . . . 70.33 114.464 -177.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -155.99 108.07 2.58 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.338 1.455 . . . . 75.21 107.111 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -143.28 134.82 26.32 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 107.579 -1.267 . . . . 74.34 107.579 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 62.75 29.01 16.73 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.275 1.03 . . . . 62.53 110.534 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.67 -1.14 68.19 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 115.321 -0.854 . . . . 73.52 113.69 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.8 mm -95.94 108.66 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 123.838 0.855 . . . . 74.02 109.096 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.603 HG21 HD13 ' A' ' 78' ' ' LEU . 41.9 t -79.14 102.69 5.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 108.455 -0.943 . . . . 74.33 108.455 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -86.07 110.78 19.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 109.621 -0.511 . . . . 74.31 109.621 -174.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -119.1 134.29 55.29 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 124.386 1.075 . . . . 73.44 110.319 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.494 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 84.5 tttt -88.29 123.72 33.18 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 123.966 0.906 . . . . 75.32 109.019 172.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.419 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 38.6 mt -95.56 139.29 32.04 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.012 -0.736 . . . . 74.42 109.012 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -95.6 172.47 8.04 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.328 0.651 . . . . 73.43 111.199 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.17 154.33 15.33 Favored Glycine 0 C--N 1.359 1.848 0 O-C-N 124.137 0.898 . . . . 63.52 113.703 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.8 m 77.26 -30.97 0.17 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.838 1.655 . . . . 73.21 112.34 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.5 m -91.13 -37.93 13.07 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.653 0.781 . . . . 72.22 110.375 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.4 t -93.86 0.03 55.99 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.61 -0.723 . . . . 75.35 112.087 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.6 m -63.97 -44.09 93.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.831 0.452 . . . . 70.14 111.059 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 33.5 m -101.76 118.74 58.91 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.532 0.733 . . . . 43.42 109.806 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -51.22 -33.27 43.96 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 123.022 2.481 . . . . 63.14 113.176 170.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 m -56.54 -47.01 80.32 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.869 0.868 . . . . 72.15 110.796 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.4 t -68.0 -36.64 80.32 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 114.934 -1.03 . . . . 62.03 110.923 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.0 -46.96 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 123.937 0.773 . . . . 65.32 110.569 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.05 -50.75 79.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.786 0.834 . . . . 72.14 110.497 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.6 m -64.92 -40.62 95.33 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.571 0.749 . . . . 52.44 111.565 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.17 -52.24 50.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.184 0.594 . . . . 70.51 109.967 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.95 -42.77 85.66 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.467 1.107 . . . . 73.32 111.455 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -68.11 -41.94 81.04 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.246 0.618 . . . . 64.02 111.138 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.43 -43.53 99.21 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 112.091 -0.404 . . . . 62.44 112.091 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.31 -35.92 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.794 0.838 . . . . 64.53 110.176 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.458 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 58.1 tt0 -61.84 -58.43 8.0 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 122.96 0.504 . . . . 62.54 110.283 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -59.56 -31.27 69.28 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.631 0.773 . . . . 71.45 111.786 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.431 ' HG3' ' NH1' ' A' ' 30' ' ' ARG . 19.0 tmm? -66.8 -54.64 20.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.173 0.589 . . . . 73.32 110.673 175.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.603 HD13 HG21 ' A' ' 52' ' ' VAL . 76.6 mt -68.32 -27.59 66.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.54 0.736 . . . . 64.04 111.791 -177.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -79.84 -21.94 43.57 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.738 0.815 . . . . 75.44 111.259 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -69.88 -48.13 59.9 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.21 0.604 . . . . 73.31 109.823 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.79 -34.37 22.78 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.689 -0.687 . . . . 61.22 111.784 -176.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.7 mt -131.92 118.3 16.44 Favored Pre-proline 0 N--CA 1.485 1.288 0 C-N-CA 124.01 0.924 . . . . 72.42 109.976 -170.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -78.33 -10.13 16.23 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 122.635 2.223 . . . . 53.2 113.37 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.3 -30.6 64.95 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.2 0.6 . . . . 72.11 111.344 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.52 HG21 ' HB3' ' A' ' 78' ' ' LEU . 86.6 t -67.47 103.2 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.826 0.85 . . . . 75.33 110.643 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -70.47 -32.85 70.56 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.929 0.892 . . . . 63.12 111.175 172.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.458 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 179.8 -173.02 44.74 Favored Glycine 0 CA--C 1.504 -0.65 0 CA-C-N 116.067 -0.515 . . . . 75.01 112.545 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.478 HG22 ' HB ' ' A' ' 52' ' ' VAL . 74.5 t -127.6 144.29 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.036 1.334 . . . . 60.21 107.424 175.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -130.18 141.25 50.68 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.995 -0.743 . . . . 75.25 108.995 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.419 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 47.3 tt0 -83.85 115.49 22.28 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.722 -1.214 . . . . 73.53 107.722 169.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.71 110.23 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 108.413 -0.958 . . . . 64.12 108.413 168.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 71.4 mtm -79.37 128.45 33.36 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.809 -0.811 . . . . 72.35 108.809 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -136.93 102.48 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.735 0.814 . . . . 43.03 109.042 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -71.57 162.56 29.25 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.67 -0.695 . . . . 74.1 111.083 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -105.38 -70.31 0.78 Allowed 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.088 0.47 . . . . 64.23 109.801 -169.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.4 m -115.28 20.89 14.57 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.208 1.003 . . . . 61.54 110.66 -172.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.246 0.905 0 C-N-CA 123.854 0.861 . . . . 73.21 109.711 -172.413 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.513 ' HB2' ' HB2' ' A' ' 7' ' ' HIS . 1.4 mpt? . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.559 -0.534 . . . . 70.14 109.559 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.67 -44.29 0.95 Allowed Glycine 0 C--N 1.346 1.109 0 O-C-N 123.302 0.376 . . . . 72.03 113.184 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -77.58 -34.09 53.74 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.125 0.57 . . . . 72.04 111.183 -170.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -133.21 -64.96 0.71 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.17 0.588 . . . . 75.53 109.624 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -65.53 122.59 17.55 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.019 -0.734 . . . . 64.3 109.019 174.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -75.24 145.22 42.12 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.816 0.697 . . . . 64.43 111.925 -169.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.513 ' HB2' ' HB2' ' A' ' 1' ' ' MET . 17.6 t-80 -137.72 77.49 1.64 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.464 -1.244 . . . . 74.23 107.674 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -75.42 -35.84 60.92 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.136 -0.938 . . . . 73.23 110.335 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -89.72 173.23 8.4 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.738 -0.665 . . . . 63.4 109.697 175.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -144.33 24.44 1.59 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.524 -0.917 . . . . 74.33 108.524 173.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.625 ' HG2' ' H ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -60.54 -35.28 75.63 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.745 1.218 . . . . 74.12 112.819 -169.451 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.16 20.88 69.56 Favored Glycine 0 C--N 1.348 1.237 0 O-C-N 123.496 0.497 . . . . 72.43 113.465 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.625 ' H ' ' HG2' ' A' ' 11' ' ' MET . 45.9 m -82.08 73.85 9.09 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 123.972 0.909 . . . . 75.5 110.536 -175.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.76 150.6 30.74 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.292 -0.867 . . . . 63.45 110.68 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 68.98 11.0 8.22 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.232 1.413 . . . . 72.35 111.855 -176.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -105.35 -12.29 16.1 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.518 1.127 . . . . 63.31 109.549 166.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.588 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 36.9 t70 -72.07 -14.01 61.74 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.623 0.769 . . . . 74.12 111.403 -175.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.45 -42.52 89.1 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 111.346 -0.702 . . . . 72.11 111.346 170.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 23' ' ' ILE . 89.4 t -64.92 -50.97 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.352 0.661 . . . . 63.04 109.697 172.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 54.8 t -54.38 -41.51 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.706 1.202 . . . . 65.52 111.561 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.87 -44.54 76.84 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.746 0.818 . . . . 70.14 111.436 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.78 -22.92 59.67 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.424 -0.353 . . . . 54.11 111.25 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 19' ' ' VAL . 73.4 mt -68.69 -50.02 59.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 108.421 -0.955 . . . . 74.45 108.421 170.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.04 -40.21 66.88 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.638 0.775 . . . . 63.5 111.22 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.07 -51.49 53.87 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 124.063 0.852 . . . . 64.1 110.573 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.68 -35.42 77.94 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 123.864 0.727 . . . . 63.51 111.053 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.49 -53.97 16.52 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 109.87 -0.418 . . . . 65.43 109.87 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.4 -38.82 91.13 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.872 0.869 . . . . 72.53 112.386 -168.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.1 p -86.29 -36.55 19.26 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.977 -0.556 . . . . 71.31 112.208 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -103.36 -58.02 1.94 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.205 0.602 . . . . 75.42 111.446 -170.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.41 HD11 ' SD ' ' A' ' 77' ' ' MET . 50.9 mm -83.78 -48.04 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 116.204 -0.453 . . . . 73.54 111.171 -166.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -53.07 -53.05 59.79 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-O 117.43 -1.271 . . . . 73.32 111.875 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.494 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 50.0 Cg_exo -55.18 -41.93 73.77 Favored 'Trans proline' 0 C--N 1.404 3.471 0 C-N-CA 122.346 2.03 . . . . 71.22 112.325 178.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.6 m -59.68 -50.76 72.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.811 0.845 . . . . 65.13 111.36 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.502 HG13 ' SG ' ' A' ' 60' ' ' CYS . 38.3 t -71.74 -26.25 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 123.154 0.582 . . . . 62.54 111.052 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -72.88 -30.89 64.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.784 0.434 . . . . 74.24 110.543 173.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 22.6 mm-40 -74.0 -27.08 60.79 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.004 0.522 . . . . 75.53 110.352 172.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.81 -21.4 57.37 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.809 0.844 . . . . 61.12 110.041 170.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.56 -16.43 24.03 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 116.148 -0.478 . . . . 72.14 113.393 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.79 -145.81 19.83 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 112.302 -0.319 . . . . 32.34 112.302 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -171.71 158.85 5.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.247 1.019 . . . . 72.23 109.339 173.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.9 m -115.94 115.68 49.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 N-CA-C 108.194 -1.039 . . . . 73.51 108.194 174.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 43' ' ' ILE . 3.1 mp -107.99 119.98 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 107.847 -1.168 . . . . 72.34 107.847 -175.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -69.5 113.79 7.13 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 109.639 -0.504 . . . . 73.32 109.639 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -102.34 -29.25 11.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.063 0.945 . . . . 73.14 111.782 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.98 -171.31 42.89 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 120.759 -0.734 . . . . 71.23 114.391 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -150.29 110.7 4.21 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 106.633 -1.617 . . . . 75.35 106.633 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -131.17 131.94 44.4 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.329 -0.989 . . . . 64.33 108.329 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 77.08 -33.41 0.2 Allowed 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 125.413 1.485 . . . . 75.03 113.213 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.84 -5.74 3.12 Favored Glycine 0 N--CA 1.472 1.034 0 N-CA-C 110.781 -0.928 . . . . 51.12 110.781 -166.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.82 124.4 50.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 C-N-CA 124.031 0.932 . . . . 75.0 109.406 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.579 ' HB ' HG22 ' A' ' 88' ' ' VAL . 44.8 t -84.99 113.82 24.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 108.493 -0.928 . . . . 63.02 108.493 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -91.01 115.7 28.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.305 0.642 . . . . 72.43 109.738 -176.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.9 mt -128.22 137.13 51.9 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.476 1.11 . . . . 75.33 110.202 -175.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.37 130.74 34.53 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.886 -0.783 . . . . 70.23 108.886 172.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.7 mt -103.25 143.46 32.61 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 108.307 -0.997 . . . . 70.4 108.307 173.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -95.11 175.34 6.66 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.163 0.585 . . . . 75.43 110.566 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.44 65.82 3.93 Favored Glycine 0 C--N 1.352 1.45 0 N-CA-C 115.028 0.771 . . . . 74.11 115.028 -169.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.9 m -148.7 -51.98 0.17 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.383 -1.34 . . . . 74.11 107.383 171.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.562 ' SG ' HD22 ' A' ' 70' ' ' LEU . 55.8 m -69.48 -40.27 77.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.518 0.727 . . . . 51.55 109.916 170.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.542 ' HA ' HG12 ' A' ' 67' ' ' ILE . 13.2 m -74.09 -16.58 61.02 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.402 -1.272 . . . . 74.33 111.784 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.3 m -72.41 -9.99 59.22 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.634 0.774 . . . . 73.31 112.955 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.8 m -136.65 118.94 11.63 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 123.532 0.733 . . . . 70.13 109.574 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.33 -44.64 45.14 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 124.032 3.155 . . . . 64.41 115.047 -172.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.3 t -73.21 -35.38 66.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.373 0.269 . . . . 65.13 110.903 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.0 m -64.14 -30.9 71.94 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.138 0.575 . . . . 71.32 111.826 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.542 HG12 ' HA ' ' A' ' 61' ' ' THR . 70.6 mt -58.44 -55.35 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.89 0.876 . . . . 71.34 110.227 171.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.87 -42.8 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 114.633 -1.167 . . . . 72.34 110.389 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.7 m -67.16 -43.37 82.41 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 123.829 0.706 . . . . 72.24 111.128 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.562 HD22 ' SG ' ' A' ' 60' ' ' CYS . 58.8 tp -65.05 -49.26 70.82 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.344 0.402 . . . . 63.55 109.967 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -55.57 -43.37 75.86 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 124.25 0.969 . . . . 74.32 110.758 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.412 ' HA ' HE21 ' A' ' 75' ' ' GLN . 94.5 m-20 -73.46 -34.56 65.45 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.587 0.755 . . . . 72.01 111.899 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.81 91.8 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 112.162 -0.375 . . . . 62.44 112.162 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.19 -41.61 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.22 1.008 . . . . 72.44 109.778 174.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.412 HE21 ' HA ' ' A' ' 72' ' ' ASN . 10.6 tt0 -59.46 -47.73 84.38 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 124.314 1.046 . . . . 64.11 110.206 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -64.68 -37.5 87.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.522 0.729 . . . . 73.41 111.161 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.41 ' SD ' HD11 ' A' ' 31' ' ' ILE . 41.0 ttp -65.7 -53.91 34.54 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.958 0.408 . . . . 60.45 110.548 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.548 ' HB3' HG21 ' A' ' 85' ' ' VAL . 93.0 mt -65.69 -30.53 71.23 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.241 -0.89 . . . . 72.34 111.765 -177.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -74.59 -35.18 63.0 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.905 0.482 . . . . 65.2 110.812 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -61.43 -45.44 94.32 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.468 0.707 . . . . 71.53 110.306 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.28 -58.94 2.48 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.804 -0.634 . . . . 64.51 110.711 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.7 mt -97.44 122.03 56.75 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.035 0.934 . . . . 75.35 110.333 -172.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -75.54 -20.53 15.74 Favored 'Trans proline' 0 C--N 1.37 1.663 0 C-N-CA 122.572 2.181 . . . . 73.12 112.672 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.16 -25.24 63.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.451 0.701 . . . . 70.23 112.306 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 78' ' ' LEU . 91.4 t -72.9 96.8 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 109.516 -0.55 . . . . 62.53 109.516 175.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -69.98 -33.96 72.75 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.744 -0.662 . . . . 75.22 110.092 170.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.3 -173.79 39.21 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.68 -0.691 . . . . 74.41 113.444 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.579 HG22 ' HB ' ' A' ' 52' ' ' VAL . 78.5 t -132.47 149.27 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.982 1.313 . . . . 74.51 108.352 175.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -136.74 150.53 48.46 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.426 0.69 . . . . 71.53 110.311 177.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -88.07 118.19 27.47 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.175 0.99 . . . . 75.35 109.923 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.43 108.39 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.667 0.787 . . . . 55.34 109.265 176.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 79.5 mtp -106.88 88.58 2.78 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.616 0.767 . . . . 72.1 111.021 -172.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -96.6 126.42 41.76 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.096 -1.075 . . . . 72.52 108.096 169.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -155.24 -66.41 0.12 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.446 -0.946 . . . . 74.45 108.446 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -77.11 -33.03 56.92 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 109.025 -0.731 . . . . 73.1 109.025 167.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.3 m 60.09 31.47 20.59 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 124.308 1.005 . . . . 71.3 110.836 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 C--O 1.249 1.074 0 C-N-CA 123.983 0.913 . . . . 64.32 109.68 -167.289 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 ttm . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 119.771 -0.157 . . . . 75.33 111.057 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.8 77.75 0.39 Allowed Glycine 0 C--N 1.358 1.754 0 N-CA-C 112.23 -0.348 . . . . 54.34 112.23 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -147.24 170.89 16.3 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.189 0.996 . . . . 65.25 108.55 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -138.96 -166.8 2.09 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.385 -0.968 . . . . 74.2 108.385 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -144.94 124.73 13.37 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 107.793 -1.188 . . . . 71.43 107.793 168.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -137.77 133.45 34.08 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.195 0.521 . . . . 74.3 110.887 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -111.92 140.24 46.75 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 106.857 -1.534 . . . . 52.21 106.857 169.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -63.95 -17.38 63.21 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.006 0.522 . . . . 71.51 111.888 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -57.78 89.56 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.398 1.079 . . . . 52.43 111.937 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -82.36 83.22 7.54 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 107.1 -1.445 . . . . 74.41 107.1 172.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.5 tpt 60.18 78.0 0.3 Allowed 'General case' 0 CA--C 1.549 0.911 0 O-C-N 124.295 0.997 . . . . 64.44 109.456 -166.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.48 58.51 0.34 Allowed Glycine 0 C--N 1.34 0.795 0 CA-C-N 114.813 -1.085 . . . . 44.54 111.158 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.658 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 36.1 m -132.28 126.6 33.76 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.175 0.99 . . . . 65.11 108.936 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.36 -26.01 66.27 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.172 0.589 . . . . 71.1 111.263 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -129.94 81.3 2.0 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.395 1.078 . . . . 74.44 109.277 175.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.658 ' HB3' ' HB2' ' A' ' 13' ' ' SER . 7.5 p-10 -113.27 159.65 19.13 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.687 0.795 . . . . 71.02 110.069 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -83.46 -10.92 58.07 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.733 -0.667 . . . . 73.24 111.516 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.15 -48.68 24.61 Favored Glycine 0 C--N 1.353 1.482 0 O-C-N 123.065 0.228 . . . . 53.45 112.778 -176.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.03 -45.92 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.418 0.687 . . . . 41.44 109.505 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 68.8 t -56.86 -44.09 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 124.08 0.952 . . . . 73.42 111.142 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.22 78.46 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.712 0.805 . . . . 73.04 111.63 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.1 ptm -74.86 -27.41 60.25 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-O 119.228 -0.415 . . . . 74.54 110.881 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.1 -48.85 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 108.628 -0.878 . . . . 70.21 108.628 171.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 97.3 mttt -56.45 -41.89 77.23 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.862 0.726 . . . . 72.3 111.938 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.0 -43.78 64.52 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 109.468 -0.567 . . . . 74.14 109.468 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.59 -30.14 70.49 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.481 0.713 . . . . 74.21 110.778 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.96 -57.12 4.27 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 122.936 0.494 . . . . 71.13 109.767 172.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.32 -32.66 74.35 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.846 0.858 . . . . 63.41 112.821 -168.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 80.4 p -91.45 -28.58 17.54 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.661 0.785 . . . . 73.03 111.685 -174.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -116.17 -58.37 2.11 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.934 0.493 . . . . 75.14 111.518 -170.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.431 ' O ' HG23 ' A' ' 35' ' ' VAL . 45.4 mm -77.22 -58.42 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.315 0.646 . . . . 71.21 111.434 -170.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -48.31 -48.48 65.74 Favored Pre-proline 0 N--CA 1.482 1.173 0 CA-C-O 117.425 -1.274 . . . . 62.1 112.749 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.49 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 80.9 Cg_exo -48.51 -51.91 9.43 Favored 'Trans proline' 0 C--N 1.399 3.189 0 C-N-CA 122.376 2.051 . . . . 71.34 112.58 173.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.7 m -59.92 -44.82 94.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.148 0.979 . . . . 52.32 112.35 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 31' ' ' ILE . 4.2 t -71.06 -31.64 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 122.752 0.421 . . . . 74.41 110.574 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -73.88 -27.47 61.08 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.177 0.591 . . . . 63.22 111.194 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 19.7 mm-40 -70.81 -37.69 73.25 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 108.91 -0.774 . . . . 74.14 108.91 171.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.57 -21.98 62.63 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.273 1.029 . . . . 73.2 111.469 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.88 -18.08 9.9 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 119.902 -0.388 . . . . 44.32 113.587 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.0 -145.05 14.79 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 116.982 0.391 . . . . 61.45 112.787 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.423 ' H ' ' HB2' ' A' ' 57' ' ' GLN . 27.1 t0 -172.17 165.08 6.08 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.243 1.017 . . . . 75.54 109.579 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 m -125.71 125.15 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.917 0.887 . . . . 64.21 109.018 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -110.17 125.81 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.71 -0.848 . . . . 64.12 108.71 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -65.64 113.74 4.45 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 122.828 0.451 . . . . 75.5 110.65 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.464 ' HD2' ' HB2' ' A' ' 55' ' ' LYS . 9.3 mmpt? -93.53 -41.28 9.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.677 0.791 . . . . 74.44 110.993 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.54 -176.51 46.83 Favored Glycine 0 C--N 1.344 0.984 0 O-C-N 123.61 0.569 . . . . 60.33 113.355 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -155.02 118.51 4.5 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.713 1.205 . . . . 70.01 107.977 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -147.66 144.25 28.23 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.098 0.559 . . . . 75.55 109.745 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.8 t70 66.3 -82.75 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.804 1.241 . . . . 75.43 109.623 -172.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.27 13.18 0.24 Allowed Glycine 0 C--N 1.338 0.684 0 N-CA-C 110.817 -0.913 . . . . 74.13 110.817 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.1 mm -106.15 117.22 51.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 C-N-CA 123.504 0.722 . . . . 70.42 109.528 -173.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.518 ' HB ' HG22 ' A' ' 88' ' ' VAL . 21.2 t -86.34 109.4 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.515 -0.92 . . . . 63.4 108.515 176.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -85.51 122.14 29.21 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.362 -0.977 . . . . 74.2 108.362 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.1 mt -131.48 140.01 49.46 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.248 0.619 . . . . 73.02 110.541 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 77.4 tttt -87.65 121.83 30.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.998 -1.001 . . . . 70.42 109.077 174.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.09 146.65 23.49 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.119 -1.067 . . . . 65.33 108.119 170.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.423 ' HB2' ' H ' ' A' ' 41' ' ' ASP . 25.2 mm-40 -91.11 161.99 14.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.966 0.506 . . . . 65.24 110.455 -178.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.409 ' HA2' ' OG1' ' A' ' 61' ' ' THR . . . -73.75 67.35 1.66 Allowed Glycine 0 C--N 1.352 1.449 0 O-C-N 124.461 1.101 . . . . 63.35 113.094 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.6 m -156.75 -59.06 0.09 Allowed 'General case' 0 C--O 1.234 0.258 0 N-CA-C 106.714 -1.587 . . . . 73.22 106.714 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 37.4 t -69.84 -36.6 75.71 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.582 -0.735 . . . . 72.21 110.601 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.409 ' OG1' ' HA2' ' A' ' 58' ' ' GLY . 34.8 p -63.48 -27.07 69.02 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.812 0.845 . . . . 62.31 112.037 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.1 m -61.6 -22.35 65.14 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.024 0.93 . . . . 61.13 112.527 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 81.6 m -124.47 112.79 27.65 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 123.972 0.909 . . . . 65.52 109.224 175.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.91 -28.08 86.41 Favored 'Trans proline' 0 C--N 1.381 2.239 0 C-N-CA 123.073 2.515 . . . . 74.11 113.248 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 t -73.15 -32.42 64.86 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.814 0.446 . . . . 72.53 110.557 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.1 m -66.22 -36.58 83.41 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.518 0.327 . . . . 74.13 110.483 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.68 -50.42 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.704 0.802 . . . . 64.15 110.538 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.64 -50.86 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.318 0.647 . . . . 60.53 110.755 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 m -60.63 -45.42 94.12 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.553 0.741 . . . . 40.51 111.587 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.423 ' O ' HG13 ' A' ' 74' ' ' ILE . 34.5 tp -63.98 -53.47 49.66 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.729 0.643 . . . . 63.22 110.227 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -56.82 -41.97 78.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.062 0.945 . . . . 72.0 111.142 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.26 -43.2 87.18 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.309 0.644 . . . . 64.32 111.563 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.49 -44.51 97.49 Favored Glycine 0 C--N 1.346 1.097 0 O-C-N 123.513 0.508 . . . . 42.24 112.038 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 70' ' ' LEU . 71.6 mt -64.02 -47.49 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.664 0.786 . . . . 73.31 109.93 177.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.32 -51.73 68.57 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.26 0.975 . . . . 72.03 110.975 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -66.43 -34.6 78.32 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 124.11 0.881 . . . . 44.15 111.334 -176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 34.9 ttp -65.79 -52.08 53.74 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.54 0.525 . . . . 72.21 110.54 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.555 ' HB3' HG21 ' A' ' 85' ' ' VAL . 91.2 mt -62.4 -38.26 88.95 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.628 0.771 . . . . 52.15 111.004 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 70.9 mt-30 -65.44 -37.7 87.69 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.337 0.655 . . . . 71.54 111.286 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -63.04 -31.43 72.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.739 0.816 . . . . 62.32 111.433 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -105.76 -21.81 13.09 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.293 0.637 . . . . 60.01 111.974 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.8 mt -133.81 108.78 11.87 Favored Pre-proline 0 N--CA 1.488 1.472 0 C-N-CA 123.774 0.83 . . . . 75.41 109.782 -173.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -70.86 -11.77 29.87 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 122.661 2.241 . . . . 74.53 113.304 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.22 -35.54 78.1 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.478 0.711 . . . . 71.35 110.846 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 78' ' ' LEU . 85.0 t -69.03 105.02 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.86 -0.609 . . . . 72.21 109.845 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -84.19 -30.16 26.01 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.099 0.96 . . . . 64.32 110.727 170.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.22 -173.01 37.93 Favored Glycine 0 C--N 1.348 1.22 0 CA-C-N 116.33 -0.396 . . . . 45.44 113.488 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.518 HG22 ' HB ' ' A' ' 52' ' ' VAL . 55.3 t -137.57 133.21 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.892 1.277 . . . . 75.14 108.75 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -107.11 137.31 45.41 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.138 0.975 . . . . 60.2 109.397 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -85.86 128.97 34.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.579 -0.897 . . . . 75.55 108.579 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 3.5 m -136.51 162.04 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.216 1.407 . . . . 72.05 107.27 166.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.533 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 17.8 ptm -143.5 84.16 1.8 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.876 0.846 . . . . 75.23 110.012 171.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -136.64 155.39 49.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.676 1.19 . . . . 74.32 108.949 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -174.92 -167.08 0.26 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.643 0.777 . . . . 70.51 110.96 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -115.12 -5.16 12.44 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.627 1.171 . . . . 63.35 112.093 -174.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.1 t -113.37 12.72 18.86 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.826 0.85 . . . . 75.25 111.231 -172.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 CA--C 1.552 1.048 0 C-N-CA 123.87 0.868 . . . . 74.54 111.024 178.295 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 120.699 0.285 . . . . 73.33 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.8 171.37 41.96 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 116.183 -0.462 . . . . 73.53 112.129 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -80.32 75.83 7.12 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.662 0.744 . . . . 73.32 109.718 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -75.55 95.99 3.43 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 122.11 0.957 . . . . 62.22 110.49 -174.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -124.06 126.24 45.9 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 107.611 -1.255 . . . . 74.42 107.611 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -77.19 79.32 3.71 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.129 0.966 . . . . 75.45 110.703 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.0 p80 -98.35 19.07 15.01 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.878 -1.055 . . . . 53.33 111.115 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -129.89 76.88 1.75 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.548 0.739 . . . . 70.45 109.189 172.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.1 t -139.08 109.13 6.36 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.003 -0.999 . . . . 75.34 108.378 172.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -64.17 -33.8 76.62 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.909 -0.587 . . . . 75.41 111.005 176.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.3 mmt -77.73 113.36 15.5 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 109.295 -0.631 . . . . 74.41 109.295 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.23 85.98 0.32 Allowed Glycine 0 C--N 1.345 1.044 0 N-CA-C 111.324 -0.71 . . . . 71.45 111.324 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.5 p -69.24 106.46 2.88 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 122.775 0.43 . . . . 74.44 109.969 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.81 142.14 58.05 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 108.723 -0.843 . . . . 74.22 108.723 172.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 47' ' ' PHE . 12.5 mm-40 -63.12 122.7 16.75 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 108.222 -1.029 . . . . 72.22 108.222 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -53.8 122.92 10.95 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.566 1.166 . . . . 61.34 110.781 -171.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.556 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 6.6 p-10 -70.94 -7.81 48.64 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.136 0.574 . . . . 74.34 112.018 -175.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.43 -46.29 20.57 Favored Glycine 0 C--N 1.353 1.498 0 N-CA-C 111.044 -0.823 . . . . 54.24 111.044 166.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.471 HG13 HD13 ' A' ' 82' ' ' ILE . 57.2 t -58.85 -49.73 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.674 0.79 . . . . 71.0 109.905 172.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 41.9 t -59.38 -43.76 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.978 1.311 . . . . 74.33 111.631 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.61 90.72 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.337 0.655 . . . . 72.23 111.994 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.408 ' HG3' HD11 ' A' ' 82' ' ' ILE . 21.7 ptm -74.46 -24.55 59.06 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 119.299 -0.381 . . . . 72.11 111.036 -177.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 19' ' ' VAL . 82.0 mt -64.08 -50.94 74.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.113 0 N-CA-C 108.8 -0.815 . . . . 72.45 108.8 170.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -52.49 -41.65 63.59 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 124.067 0.854 . . . . 73.14 111.25 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.18 -51.86 58.5 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.107 0.88 . . . . 52.14 110.779 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.1 mt -58.63 -33.91 70.58 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.782 0.833 . . . . 53.21 111.379 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -69.29 -56.35 7.81 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.88 -0.6 . . . . 73.44 109.831 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.21 -34.06 77.48 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.739 0.816 . . . . 53.31 112.14 -167.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -86.27 -49.29 7.8 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.282 0.633 . . . . 70.1 111.565 -176.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mtp-105 -91.83 -59.19 2.18 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.5 0.32 . . . . 71.13 111.384 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 35' ' ' VAL . 44.9 mm -75.93 -60.33 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-O 118.644 -0.693 . . . . 73.12 111.598 -163.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 74.8 mtp180 -45.78 -53.16 21.53 Favored Pre-proline 0 N--CA 1.489 1.506 0 CA-C-O 117.366 -1.302 . . . . 74.5 112.327 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 78.5 Cg_exo -51.95 -45.0 41.48 Favored 'Trans proline' 0 C--N 1.404 3.479 0 C-N-CA 122.965 2.444 . . . . 63.33 113.342 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.1 m -60.55 -47.67 85.16 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.213 1.005 . . . . 72.41 111.672 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 31' ' ' ILE . 15.3 t -69.08 -31.5 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 115.263 -0.881 . . . . 72.3 110.625 -177.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -71.36 -23.9 61.99 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.6 0.76 . . . . 75.43 111.584 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.53 -36.43 82.68 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.862 -0.421 . . . . 61.43 109.862 172.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -77.63 -23.43 49.76 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.376 -0.829 . . . . 73.21 110.683 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.51 -3.53 29.4 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 116.218 -0.446 . . . . 44.11 113.177 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.86 -158.52 33.12 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 112.182 -0.367 . . . . 63.32 112.182 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -173.33 160.19 3.92 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.171 0.988 . . . . 73.3 108.966 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 m -123.76 125.14 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 109.195 -0.669 . . . . 70.45 109.195 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.506 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.5 mp -113.84 127.61 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 107.852 -1.166 . . . . 70.32 107.852 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -67.97 119.04 11.96 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 110.162 -0.31 . . . . 74.44 110.162 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.578 ' HG3' HG23 ' A' ' 91' ' ' VAL . 10.9 mmpt? -99.44 -45.51 5.81 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.493 0.717 . . . . 75.2 110.557 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.97 -172.98 44.55 Favored Glycine 0 C--N 1.34 0.797 0 C-N-CA 121.341 -0.457 . . . . 55.03 113.866 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.444 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 20.7 t80 -153.97 115.26 4.12 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 106.334 -1.728 . . . . 75.42 106.334 -178.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.89 134.67 15.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.045 0.538 . . . . 63.15 110.161 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.74 24.6 14.67 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.628 1.171 . . . . 72.43 111.113 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.3 -1.27 88.63 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 115.976 -0.556 . . . . 31.3 113.721 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mm -96.24 110.77 25.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 C-N-CA 123.859 0.864 . . . . 74.31 109.718 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.528 HG21 HD13 ' A' ' 78' ' ' LEU . 38.3 t -79.84 104.34 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 108.161 -1.051 . . . . 63.4 108.161 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.562 ' HB3' HG21 ' A' ' 91' ' ' VAL . 73.6 mt-30 -88.41 122.73 32.23 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 109.254 -0.647 . . . . 74.23 109.254 -175.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.8 mt -131.36 142.6 50.1 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.924 0.89 . . . . 51.34 111.597 -172.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.516 ' HG3' ' HA ' ' A' ' 92' ' ' MET . 86.3 tttt -89.41 116.54 27.68 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.015 0.926 . . . . 62.14 109.611 176.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.2 mt -92.76 146.15 23.86 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.251 -0.648 . . . . 72.13 109.251 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -102.28 176.12 5.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.116 0.567 . . . . 62.24 110.666 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.91 166.63 2.66 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 123.957 0.786 . . . . 64.34 114.955 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.2 t 77.07 -57.04 0.53 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.709 1.604 . . . . 44.23 110.658 -173.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.476 ' SG ' HG13 ' A' ' 35' ' ' VAL . 58.5 m -62.96 -40.07 96.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.464 0.706 . . . . 52.22 110.68 173.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.437 HG21 ' SD ' ' A' ' 92' ' ' MET . 55.3 p -80.46 -11.25 59.7 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.348 -0.842 . . . . 63.23 112.572 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.5 m -66.62 -29.42 69.46 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.036 0.534 . . . . 65.4 111.436 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 72.9 m -122.32 121.82 27.65 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 123.639 0.775 . . . . 73.5 110.243 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.75 -39.04 85.24 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.25 2.634 . . . . 71.24 112.335 173.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 p -63.02 -36.75 84.6 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.988 0.915 . . . . 52.35 111.503 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.6 m -71.77 -34.81 69.76 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.061 0.545 . . . . 62.1 110.987 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.29 -46.3 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.305 0.642 . . . . 73.34 109.963 173.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.25 -54.2 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.077 0.951 . . . . 72.41 110.846 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.3 m -59.07 -45.11 91.63 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.954 0.902 . . . . 74.43 111.226 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.71 -50.11 70.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.289 0.635 . . . . 72.25 110.64 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.35 -37.81 70.53 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.348 1.059 . . . . 72.32 111.185 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -69.82 -41.42 75.03 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.906 0.883 . . . . 72.3 111.746 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.61 -45.58 95.52 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.897 -0.481 . . . . 53.4 111.897 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.62 -42.84 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.241 1.016 . . . . 72.4 110.233 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.428 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 34.6 tt0 -56.48 -60.4 3.58 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.731 0.813 . . . . 64.11 110.675 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -60.04 -36.83 78.16 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.49 0.716 . . . . 73.2 111.809 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.6 ttp -58.41 -58.45 8.44 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 123.5 0.5 . . . . 65.4 109.808 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.58 ' HB3' HG21 ' A' ' 85' ' ' VAL . 95.3 mt -63.94 -31.35 72.51 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.683 0.793 . . . . 63.32 111.7 -177.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -76.14 -23.47 54.82 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.798 0.839 . . . . 72.22 112.149 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -69.01 -45.99 69.13 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.617 0.573 . . . . 71.32 109.846 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -86.09 -37.67 18.59 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.664 -0.698 . . . . 73.15 110.798 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.471 HD13 HG13 ' A' ' 19' ' ' VAL . 45.7 mt -124.34 107.89 29.68 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 124.117 0.967 . . . . 61.24 109.766 -170.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.11 -4.69 15.83 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.546 2.164 . . . . 61.34 113.21 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -78.39 -12.74 60.02 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.005 0.522 . . . . 74.12 111.304 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.58 HG21 ' HB3' ' A' ' 78' ' ' LEU . 99.3 t -84.38 104.58 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 109.761 -0.459 . . . . 61.2 109.761 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.32 -35.95 66.15 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.031 0.932 . . . . 74.23 110.569 171.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.428 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -179.58 -170.53 41.45 Favored Glycine 0 C--N 1.34 0.776 0 CA-C-N 115.858 -0.61 . . . . 64.31 112.513 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 73.1 t -130.99 149.32 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.108 1.363 . . . . 62.21 108.673 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -137.96 149.78 46.45 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.309 0.643 . . . . 75.14 110.337 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -85.53 127.67 34.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.835 0.854 . . . . 75.2 109.205 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.578 HG23 ' HG3' ' A' ' 45' ' ' LYS . 2.6 m -143.13 110.01 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.286 1.434 . . . . 74.52 108.569 173.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.516 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 44.9 mtm -111.4 105.83 14.57 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.57 -0.706 . . . . 71.42 110.051 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -74.91 82.8 2.19 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 107.753 -1.203 . . . . 62.14 107.753 167.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -67.96 127.44 32.87 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.695 -1.138 . . . . 72.14 110.259 -170.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.72 2.74 7.6 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.923 0.889 . . . . 75.24 112.454 -175.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.1 m -87.3 49.27 1.78 Allowed 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 124.189 0.996 . . . . 71.22 109.553 168.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 124.461 1.104 . . . . 65.34 108.926 -177.923 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 120.446 0.165 . . . . 73.15 111.086 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.67 94.95 0.78 Allowed Glycine 0 C--N 1.352 1.422 0 N-CA-C 111.737 -0.545 . . . . 44.54 111.737 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -150.56 72.96 1.11 Allowed 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.569 0.699 . . . . 72.32 110.687 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -172.04 98.29 0.17 Allowed 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 108.494 -0.928 . . . . 50.13 108.494 171.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -88.29 107.62 18.91 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.234 -0.654 . . . . 64.05 109.234 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -80.56 147.24 30.88 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.396 -0.594 . . . . 74.45 109.396 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -119.62 153.77 35.0 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.493 0.717 . . . . 73.24 111.265 -170.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -103.58 -48.14 4.05 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.923 0.889 . . . . 73.11 109.987 170.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 p -78.46 82.43 4.73 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 121.181 0.515 . . . . 72.12 110.695 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -91.61 95.96 10.2 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.072 -1.085 . . . . 72.04 108.072 178.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.1 mtt -73.59 163.79 27.53 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.615 0.766 . . . . 53.04 111.128 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.18 -0.6 71.4 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-N 115.408 -0.814 . . . . 61.43 113.367 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.3 m -72.32 78.23 1.0 Allowed 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.071 0.948 . . . . 73.14 110.534 176.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -138.62 156.75 47.18 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.114 0.966 . . . . 75.24 110.169 -173.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.13 137.7 24.83 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 107.253 -1.388 . . . . 72.14 107.253 162.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.15 106.1 2.3 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.206 -0.664 . . . . 72.3 109.206 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -61.37 -23.14 65.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.615 0.766 . . . . 74.41 110.927 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.39 -40.81 79.54 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.909 0.755 . . . . 52.21 112.528 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 23' ' ' ILE . 55.5 t -63.09 -50.57 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.294 0.638 . . . . 71.51 109.646 173.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.471 HG12 ' HE3' ' A' ' 24' ' ' LYS . 98.2 t -57.9 -42.02 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.193 0.997 . . . . 75.23 110.846 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.16 83.64 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.854 0.862 . . . . 65.13 111.289 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.5 ptm -74.37 -24.84 59.21 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 119.096 -0.478 . . . . 62.44 110.8 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 19' ' ' VAL . 78.8 mt -62.83 -48.27 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 N-CA-C 108.579 -0.897 . . . . 75.11 108.579 171.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE3' HG12 ' A' ' 20' ' ' VAL . 97.9 mttt -55.92 -41.72 74.99 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.012 0.82 . . . . 74.14 111.986 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.78 -42.6 63.78 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 110.051 -0.352 . . . . 71.25 110.051 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.3 -32.11 73.43 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.727 0.811 . . . . 73.33 110.967 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.16 -56.85 8.19 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 108.945 -0.761 . . . . 75.04 108.945 171.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.06 -31.77 72.98 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.453 0.701 . . . . 72.15 112.845 -170.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.3 p -92.17 -37.9 12.45 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.747 0.819 . . . . 62.35 111.925 -174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -106.96 -57.55 2.05 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.847 0.459 . . . . 64.13 112.138 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.2 mm -75.99 -63.79 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 122.724 0.41 . . . . 73.44 111.306 -167.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -43.73 -50.92 17.62 Favored Pre-proline 0 CA--C 1.56 1.363 0 CA-C-O 117.375 -1.298 . . . . 72.12 113.429 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.95 -46.68 32.17 Favored 'Trans proline' 0 C--N 1.397 3.105 0 C-N-CA 122.614 2.209 . . . . 73.01 113.219 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -61.81 -43.37 98.98 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.937 0.895 . . . . 74.35 111.578 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 70' ' ' LEU . 9.7 t -72.5 -30.04 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.319 0.648 . . . . 51.11 110.738 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -74.35 -25.87 59.78 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.401 0.68 . . . . 72.41 110.882 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.43 -32.37 62.62 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.237 0.615 . . . . 52.12 109.643 169.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -76.06 -21.02 57.23 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.372 -0.831 . . . . 74.55 111.084 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.42 -26.04 5.84 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 116.473 -0.331 . . . . 70.25 113.248 172.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.44 -142.45 11.2 Favored Glycine 0 N--CA 1.472 1.061 0 CA-C-N 116.851 0.325 . . . . 55.14 112.852 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -174.2 164.65 4.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.212 1.005 . . . . 72.12 109.233 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.07 124.22 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 109.026 -0.731 . . . . 75.4 109.026 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -106.71 124.66 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.331 -0.989 . . . . 72.12 108.331 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.79 107.62 3.58 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 123.618 0.573 . . . . 71.23 110.05 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -98.65 -34.41 10.57 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.736 0.814 . . . . 71.34 111.326 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.04 -176.94 47.25 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 115.165 0.826 . . . . 74.25 115.165 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -156.73 109.43 2.55 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 125.24 1.416 . . . . 72.31 107.32 176.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -141.89 131.26 23.66 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.117 -1.068 . . . . 73.34 108.117 -176.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 63.3 23.47 13.81 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.393 1.077 . . . . 72.13 110.727 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.5 ' HA3' ' HG2' ' A' ' 86' ' ' GLU . . . 81.1 6.45 89.41 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 115.891 -0.595 . . . . 71.13 113.538 -176.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.6 mm -100.95 115.64 42.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 123.637 0.775 . . . . 73.21 109.556 -177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.583 ' HB ' HG22 ' A' ' 88' ' ' VAL . 32.2 t -82.38 110.61 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 123.919 0.888 . . . . 75.43 109.257 -178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -88.9 120.3 30.18 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.119 0.568 . . . . 74.42 109.492 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.1 mt -129.23 143.8 50.99 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.629 0.772 . . . . 65.23 110.363 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 55.7 tttp -90.15 125.74 35.56 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.827 -0.805 . . . . 71.0 108.827 169.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.8 mt -94.54 139.46 31.14 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.323 -0.992 . . . . 43.43 108.323 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -94.75 169.03 10.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.143 0.577 . . . . 63.14 110.99 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.51 151.27 32.78 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 115.462 -0.79 . . . . 62.43 112.784 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.5 m 72.56 9.49 5.69 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.234 1.414 . . . . 71.11 111.858 -171.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.9 m -137.28 -37.53 0.63 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.353 1.061 . . . . 73.12 109.395 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -96.69 3.11 52.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.566 0.747 . . . . 63.31 111.401 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.1 m -74.4 -39.44 62.67 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.056 0.542 . . . . 65.41 110.891 -176.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 82.5 m -107.11 122.54 41.15 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 123.642 0.777 . . . . 73.24 109.507 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.35 -33.71 92.3 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.489 2.793 . . . . 74.45 113.394 178.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.7 m -59.83 -45.65 91.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.381 0.672 . . . . 74.22 110.683 175.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.8 m -67.29 -34.69 77.93 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.173 -0.921 . . . . 73.33 111.1 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.2 -51.45 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.349 0.659 . . . . 72.31 110.515 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.02 -51.68 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.529 0.731 . . . . 72.24 110.81 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.8 m -59.84 -46.84 88.01 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.857 0.863 . . . . 75.11 111.146 -177.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.472 HD11 HG22 ' A' ' 35' ' ' VAL . 46.0 tp -62.56 -53.26 57.3 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.749 0.656 . . . . 73.44 110.239 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.34 -39.5 76.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.379 1.072 . . . . 75.03 111.698 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -67.69 -38.95 84.4 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.499 0.72 . . . . 72.41 111.263 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.73 -47.24 85.5 Favored Glycine 0 C--N 1.348 1.195 0 O-C-N 123.48 0.488 . . . . 65.24 112.082 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 70' ' ' LEU . 57.4 mt -60.15 -43.93 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.04 0.936 . . . . 72.54 109.863 176.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.444 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 9.1 tt0 -58.65 -57.62 12.2 Favored 'General case' 0 C--O 1.22 -0.473 0 O-C-N 124.424 1.077 . . . . 63.15 111.06 -178.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -66.94 -27.01 67.13 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.319 0.647 . . . . 60.21 111.667 -175.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -69.93 -53.07 19.53 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.704 -0.48 . . . . 74.23 109.704 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.567 ' HB3' HG21 ' A' ' 85' ' ' VAL . 75.1 mt -62.91 -28.46 70.07 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.617 0.767 . . . . 52.4 111.684 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.5 mt-30 -78.55 -31.13 47.29 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.627 0.771 . . . . 53.21 111.189 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -64.65 -41.64 95.98 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.158 0.583 . . . . 62.31 110.183 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -86.13 -34.29 20.64 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.642 0.777 . . . . 64.25 111.536 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.483 HG22 ' H ' ' A' ' 84' ' ' GLU . 16.2 mt -132.18 119.16 16.49 Favored Pre-proline 0 N--CA 1.49 1.531 0 C-N-CA 123.104 0.561 . . . . 64.14 110.411 -170.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.72 -5.13 15.18 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.595 2.197 . . . . 74.02 113.091 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' H ' HG22 ' A' ' 82' ' ' ILE . 17.4 mm-40 -81.1 -23.64 38.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.906 0.882 . . . . 73.13 111.22 -178.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.567 HG21 ' HB3' ' A' ' 78' ' ' LEU . 86.5 t -74.83 103.13 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 109.075 -0.713 . . . . 65.12 109.075 176.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HG2' ' HA3' ' A' ' 50' ' ' GLY . 8.6 mm-40 -77.48 -27.01 51.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.783 0.833 . . . . 72.0 109.859 174.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.444 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 179.11 -171.16 43.13 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 116.004 -0.544 . . . . 65.44 113.212 176.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.583 HG22 ' HB ' ' A' ' 52' ' ' VAL . 76.8 t -131.49 136.49 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 125.309 1.444 . . . . 71.34 107.877 174.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -120.77 144.55 48.23 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.227 0.611 . . . . 71.43 110.06 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -85.51 116.59 23.9 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.292 -0.633 . . . . 71.14 109.292 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 9.0 m -109.03 150.52 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 107.393 -1.336 . . . . 73.43 107.393 164.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 94.9 mtp -137.43 108.2 6.64 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 122.209 -0.307 . . . . 65.32 110.929 -172.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -82.29 77.29 9.1 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.765 0.793 . . . . 75.11 109.061 167.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -134.4 159.41 41.16 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 114.437 -1.256 . . . . 73.24 108.641 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -72.98 -54.64 8.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.979 0.512 . . . . 53.41 110.0 -174.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.1 t -173.81 174.56 3.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.93 1.292 . . . . 70.3 108.765 175.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--O 1.254 1.317 0 CA-C-O 119.008 -0.52 . . . . 65.31 110.485 175.577 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.77 0.319 . . . . 73.23 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.38 99.62 0.23 Allowed Glycine 0 CA--C 1.504 -0.637 0 N-CA-C 110.328 -1.109 . . . . 62.12 110.328 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -71.3 99.55 1.96 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 121.96 0.886 . . . . 75.13 110.968 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -85.61 -179.75 6.95 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.082 -0.963 . . . . 61.14 109.723 171.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -69.93 145.25 52.07 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.27 -1.011 . . . . 72.42 108.27 173.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -79.16 8.93 5.03 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.142 0.977 . . . . 63.14 112.977 -167.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 61.87 63.14 1.16 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.911 1.285 . . . . 74.03 111.394 169.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -140.18 81.99 1.84 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.398 0.679 . . . . 71.41 109.424 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 m -126.07 103.43 7.72 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.617 0.767 . . . . 75.0 110.028 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -156.81 143.82 18.68 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.342 -0.985 . . . . 74.31 108.342 174.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.8 109.2 4.29 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 110.01 -0.367 . . . . 72.55 110.01 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.5 169.39 44.38 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-N 115.983 -0.553 . . . . 75.31 112.969 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.447 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 15.4 m -72.77 147.1 45.87 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.14 0.576 . . . . 72.24 109.784 177.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -7.58 24.84 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.489 1.116 . . . . 74.34 113.284 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.447 ' HG2' ' HB2' ' A' ' 13' ' ' SER . 14.1 pt-20 -66.62 -12.99 60.55 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.046 0.939 . . . . 73.22 112.305 171.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.6 169.39 11.15 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.905 1.282 . . . . 74.53 111.683 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.94 -8.95 17.77 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.685 1.194 . . . . 75.52 112.218 178.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.27 -36.09 10.08 Favored Glycine 0 C--N 1.365 2.148 0 N-CA-C 115.639 1.015 . . . . 71.03 115.639 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 23' ' ' ILE . 59.9 t -59.23 -58.21 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.33 0.652 . . . . 53.13 110.066 172.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.573 HG12 ' HE3' ' A' ' 24' ' ' LYS . 64.7 t -60.63 -33.72 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.838 1.255 . . . . 61.25 110.953 -178.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.42 -44.64 67.5 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.599 1.16 . . . . 65.34 110.692 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.54 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.9 ptm -74.48 -25.04 59.13 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.612 -0.709 . . . . 74.24 110.979 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 19' ' ' VAL . 83.5 mt -62.39 -49.36 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 109.357 -0.608 . . . . 63.42 109.357 173.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.573 ' HE3' HG12 ' A' ' 20' ' ' VAL . 79.7 mttt -49.48 -44.8 46.19 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.165 0.986 . . . . 70.4 111.389 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.0 -53.9 15.62 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.874 -1.057 . . . . 72.02 111.613 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.77 -37.06 70.56 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.331 1.052 . . . . 62.01 111.205 -176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.54 -57.37 7.42 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.764 -0.653 . . . . 72.12 110.584 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.87 -36.23 83.24 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.332 0.653 . . . . 75.03 112.422 -168.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.8 p -85.4 -45.44 11.87 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.958 -0.564 . . . . 62.52 111.405 -176.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -95.66 -58.28 2.15 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.581 0.352 . . . . 71.25 111.804 -173.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.4 mm -78.54 -58.41 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 118.949 -0.548 . . . . 43.31 111.616 -164.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 56.9 mtp180 -45.56 -54.52 15.11 Favored Pre-proline 0 C--N 1.367 1.369 0 CA-C-O 117.011 -1.471 . . . . 75.14 112.511 -176.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.491 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 53.0 Cg_exo -55.43 -42.29 69.57 Favored 'Trans proline' 0 C--N 1.408 3.662 0 C-N-CA 122.514 2.143 . . . . 71.42 112.493 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.5 m -61.65 -48.28 81.55 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.341 1.056 . . . . 71.21 111.621 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 31' ' ' ILE . 11.6 t -69.34 -32.99 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.335 0.654 . . . . 73.11 110.471 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -67.56 -30.7 70.4 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.601 0.76 . . . . 72.43 110.828 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 18.2 mm-40 -70.09 -31.94 69.76 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.501 0.32 . . . . 45.13 111.105 174.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.6 -21.84 51.75 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.471 0.709 . . . . 65.3 110.401 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.19 -16.47 15.19 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-O 119.965 -0.353 . . . . 34.01 112.948 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.77 -158.28 33.73 Favored Glycine 0 C--N 1.351 1.395 0 C-N-CA 122.952 0.31 . . . . 72.42 112.83 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -173.16 159.34 3.85 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.311 1.044 . . . . 74.12 108.816 175.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.29 113.62 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 N-CA-C 108.358 -0.978 . . . . 70.25 108.358 177.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.6 mp -106.84 114.54 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 107.174 -1.417 . . . . 50.03 107.174 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.453 ' OH ' HG13 ' A' ' 20' ' ' VAL . 30.2 t80 -66.12 109.13 2.48 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.007 0.523 . . . . 71.54 110.168 -174.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 11.0 mmpt? -94.47 -42.55 8.79 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.614 0.766 . . . . 72.54 110.824 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.28 -179.31 47.52 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 121.01 -0.614 . . . . 70.52 114.11 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -160.3 122.85 3.32 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.208 -1.405 . . . . 74.34 107.208 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.78 138.24 32.13 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 108.926 -0.768 . . . . 75.32 108.926 173.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 62.64 -82.36 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.057 1.343 . . . . 72.44 110.611 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.63 4.65 0.79 Allowed Glycine 0 C--N 1.348 1.203 0 CA-C-O 120.191 -0.227 . . . . 30.22 113.241 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.9 mm -104.22 117.87 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 122.908 0.483 . . . . 73.52 109.99 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.53 HG21 HD13 ' A' ' 78' ' ' LEU . 42.2 t -89.37 105.24 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.256 1.022 . . . . 72.13 108.667 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -86.23 116.7 24.58 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 109.857 -0.423 . . . . 74.41 109.857 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.4 mt -122.86 145.44 48.44 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.39 1.076 . . . . 62.23 110.289 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.574 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 81.9 tttt -89.65 106.97 18.81 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.439 -0.948 . . . . 54.31 108.439 174.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.6 mt -90.42 126.71 35.98 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.815 -1.18 . . . . 75.41 107.815 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -92.55 173.31 7.85 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.37 0.668 . . . . 74.32 110.867 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.23 169.5 13.73 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-N 115.78 -0.646 . . . . 61.23 113.907 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m 75.22 -49.23 0.64 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 126.234 1.814 . . . . 65.21 111.587 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.754 ' SG ' HD22 ' A' ' 70' ' ' LEU . 53.1 t -70.99 -35.09 71.95 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.858 0.463 . . . . 52.42 110.931 174.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.4 p -92.55 27.2 2.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.475 0.71 . . . . 73.24 111.661 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.0 p -65.69 -36.63 84.17 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.081 0.953 . . . . 70.2 111.806 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.8 p -141.41 143.89 31.81 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 123.586 0.754 . . . . 75.11 109.822 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HA ' HD12 ' A' ' 67' ' ' ILE . 54.1 Cg_exo -54.03 -29.23 53.88 Favored 'Trans proline' 0 C--N 1.391 2.765 0 C-N-CA 123.681 2.921 . . . . 63.24 113.859 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 p -60.86 -49.28 78.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.488 0.715 . . . . 75.43 110.74 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -68.22 -33.07 73.74 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.241 0.616 . . . . 60.24 112.239 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 64' ' ' PRO . 69.7 mt -62.32 -51.75 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.783 0.833 . . . . 74.44 110.807 176.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.8 mt -68.14 -39.65 81.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.801 0.841 . . . . 74.45 111.133 -178.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.8 m -65.67 -37.74 87.34 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.24 0.616 . . . . 74.24 111.104 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.754 HD22 ' SG ' ' A' ' 60' ' ' CYS . 56.1 tp -68.83 -47.17 66.69 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 109.792 -0.447 . . . . 51.11 109.792 175.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.95 -33.24 68.63 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.662 1.185 . . . . 71.43 111.474 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -82.15 -35.82 28.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.222 1.009 . . . . 74.12 111.204 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.42 -49.96 66.09 Favored Glycine 0 N--CA 1.469 0.869 0 CA-C-O 121.142 0.301 . . . . 74.3 112.464 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.7 mt -62.75 -41.77 93.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 124.322 1.049 . . . . 74.31 110.158 175.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.481 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 51.9 tt0 -53.36 -58.78 5.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.451 1.1 . . . . 44.33 110.821 177.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -61.57 -34.99 76.54 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.643 0.777 . . . . 74.12 112.17 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.415 ' HE3' ' HB3' ' A' ' 77' ' ' MET . 15.3 tmm? -67.14 -50.56 60.86 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.932 0.493 . . . . 61.22 109.844 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.533 ' HB3' HG21 ' A' ' 85' ' ' VAL . 89.3 mt -64.53 -30.88 71.91 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.721 0.808 . . . . 73.33 111.534 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.7 mt-30 -74.6 -36.12 62.97 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.496 0.718 . . . . 54.3 111.02 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -58.43 -41.79 85.81 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.868 0.867 . . . . 53.11 110.292 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -88.49 -35.36 17.05 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.61 -0.723 . . . . 70.22 111.779 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.54 HD11 ' HG3' ' A' ' 22' ' ' MET . 26.3 mt -130.38 109.76 16.33 Favored Pre-proline 0 N--CA 1.486 1.368 0 C-N-CA 123.77 0.828 . . . . 61.33 109.923 -168.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.02 -3.14 13.12 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 122.664 2.243 . . . . 72.31 113.309 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.406 ' H ' HG22 ' A' ' 82' ' ' ILE . 10.7 mm-40 -79.34 -26.05 42.18 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.572 0.749 . . . . 72.23 111.049 -179.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.533 HG21 ' HB3' ' A' ' 78' ' ' LEU . 95.9 t -74.85 109.78 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.146 0.578 . . . . 61.34 109.543 176.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.76 -27.81 26.64 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.397 0.679 . . . . 74.22 110.564 171.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.481 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -175.77 -177.01 44.48 Favored Glycine 0 C--N 1.344 0.985 0 CA-C-N 116.222 -0.445 . . . . 61.2 113.405 -177.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.484 HG22 ' HB ' ' A' ' 52' ' ' VAL . 62.2 t -128.18 153.3 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 125.944 1.698 . . . . 53.51 107.392 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -142.83 143.02 31.96 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.426 0.69 . . . . 71.42 109.302 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -85.18 132.89 34.22 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.07 0.462 . . . . 64.12 110.597 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 3.8 m -135.46 161.91 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.425 1.49 . . . . 41.3 108.284 171.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.1 ptp -145.73 108.45 4.5 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.427 0.691 . . . . 74.32 110.587 175.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' HA ' ' HB2' ' A' ' 97' ' ' ASP . 16.3 p-10 -71.72 81.94 0.87 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 122.346 1.07 . . . . 75.33 108.184 169.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -160.21 -73.88 0.07 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.85 -1.068 . . . . 71.32 109.541 -166.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -123.22 19.8 9.83 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 122.97 0.508 . . . . 72.32 111.829 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.2 t -162.63 -65.68 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.724 0.409 . . . . 73.32 110.865 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 93' ' ' ASP . 38.9 t70 . . . . . 0 CA--C 1.559 1.312 0 C-N-CA 124.786 1.234 . . . . 72.24 109.692 -171.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.304 -0.628 . . . . 62.21 109.304 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.29 80.35 0.98 Allowed Glycine 0 C--N 1.341 0.839 0 N-CA-C 110.855 -0.898 . . . . 51.11 110.855 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -61.22 130.35 45.79 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.981 0.512 . . . . 71.15 110.311 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -75.68 83.11 2.67 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 123.177 0.591 . . . . 62.12 109.513 -175.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -155.97 10.23 0.27 Allowed 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.417 -0.811 . . . . 75.35 110.63 178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -75.19 -56.06 5.1 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.963 -1.125 . . . . 62.52 107.963 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -169.8 144.32 2.8 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.893 0.746 . . . . 74.25 109.728 171.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -74.32 131.73 41.42 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 108.82 -0.807 . . . . 73.45 108.82 168.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 p -60.27 -33.06 71.79 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.478 0.711 . . . . 60.4 110.62 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -131.46 122.22 25.86 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 107.209 -1.404 . . . . 70.21 107.209 173.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.4 mtm -71.52 88.85 0.94 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.37 0.668 . . . . 61.12 111.327 -175.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.83 -105.24 0.74 Allowed Glycine 0 N--CA 1.466 0.671 0 N-CA-C 110.373 -1.091 . . . . 41.22 110.373 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t 75.86 -50.59 0.62 Allowed 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.392 1.477 . . . . 65.22 112.177 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.45 2.48 1.72 Allowed 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.551 1.14 . . . . 41.13 113.042 174.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.42 -166.61 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 124.744 1.217 . . . . 74.43 111.397 172.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 64.44 28.25 13.54 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.765 0.826 . . . . 73.51 109.448 -168.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.85 -13.65 60.59 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.848 1.259 . . . . 75.32 111.217 -176.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.8 -38.83 96.07 Favored Glycine 0 C--N 1.349 1.257 0 N-CA-C 111.164 -0.775 . . . . 32.44 111.164 169.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.0 -48.59 87.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 123.455 0.702 . . . . 61.41 109.93 172.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.43 HG13 ' OH ' ' A' ' 44' ' ' TYR . 55.0 t -55.97 -43.58 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.78 0.832 . . . . 73.11 111.565 178.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.6 80.72 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.452 0.701 . . . . 72.11 111.874 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.458 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.7 ptm -75.53 -23.04 56.6 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.619 -0.264 . . . . 62.32 110.922 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.9 -46.1 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 108.635 -0.876 . . . . 62.1 108.635 169.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -56.92 -42.6 80.28 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.601 0.76 . . . . 64.22 111.729 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 22' ' ' MET . 7.5 pt-20 -69.11 -46.0 68.79 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 109.457 -0.571 . . . . 62.22 109.457 -178.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.43 -31.91 73.21 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 123.189 0.596 . . . . 72.3 111.507 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.44 -56.52 6.42 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.002 -0.545 . . . . 65.43 109.624 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.58 -36.21 82.08 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.892 0.477 . . . . 75.33 111.636 -168.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.8 p -83.13 -39.64 20.82 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.098 0.559 . . . . 60.53 111.544 -175.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -105.3 -58.13 1.94 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.833 0.453 . . . . 70.22 111.371 -172.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 35' ' ' VAL . 47.9 mm -75.57 -59.95 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 115.864 -0.607 . . . . 62.11 110.666 -164.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.458 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 69.6 mtp180 -46.78 -52.71 30.27 Favored Pre-proline 0 N--CA 1.487 1.376 0 CA-C-O 117.403 -1.284 . . . . 75.51 112.479 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 64.0 Cg_exo -53.96 -43.75 55.39 Favored 'Trans proline' 0 C--N 1.394 2.967 0 C-N-CA 122.58 2.186 . . . . 74.51 113.201 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -60.74 -45.55 93.85 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.671 0.788 . . . . 55.0 111.214 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 31' ' ' ILE . 22.0 t -72.86 -29.64 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.311 0.644 . . . . 75.11 111.042 -178.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 76.2 mt-30 -71.69 -38.01 70.64 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.269 0.628 . . . . 64.21 110.513 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.07 -42.2 97.08 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.356 0.662 . . . . 74.5 109.86 170.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.1 -22.11 66.9 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.444 1.098 . . . . 74.32 111.505 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.35 -30.88 3.23 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-O 119.907 -0.385 . . . . 54.25 112.815 171.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -105.35 -137.92 9.17 Favored Glycine 0 C--N 1.342 0.885 0 CA-C-N 116.821 0.311 . . . . 35.44 113.291 -175.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -174.01 159.05 3.24 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 124.631 1.172 . . . . 75.51 108.525 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.8 m -120.75 124.5 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.513 -0.921 . . . . 34.32 108.513 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.3 mp -114.18 122.75 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.173 -1.047 . . . . 75.1 108.173 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.43 ' OH ' HG13 ' A' ' 20' ' ' VAL . 85.3 t80 -67.97 113.45 5.68 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.362 0.665 . . . . 74.2 109.91 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 11.4 mmpt? -94.28 -41.66 9.34 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.223 0.609 . . . . 65.24 110.582 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.08 -178.45 48.28 Favored Glycine 0 C--N 1.351 1.388 0 C-N-CA 120.805 -0.712 . . . . 41.53 114.353 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -156.11 112.66 3.12 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.38 -1.341 . . . . 71.52 107.38 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -129.33 142.65 50.77 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 107.82 -1.178 . . . . 70.35 107.82 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 62.08 -84.93 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.47 1.108 . . . . 60.51 109.665 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.58 9.9 0.41 Allowed Glycine 0 C--N 1.338 0.694 0 C-N-CA 123.736 0.684 . . . . 75.13 112.061 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.4 mm -99.49 117.23 44.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 123.403 0.681 . . . . 75.21 109.448 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.532 ' HB ' HG22 ' A' ' 88' ' ' VAL . 21.5 t -85.88 108.37 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 108.478 -0.934 . . . . 64.14 108.478 176.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -84.77 114.74 22.28 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.522 -0.547 . . . . 65.0 109.522 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.54 135.28 53.04 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.3 1.04 . . . . 75.31 110.306 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -88.64 131.82 34.82 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.813 0.845 . . . . 64.51 108.834 173.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.401 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 41.4 mt -101.21 141.43 34.11 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.695 -0.483 . . . . 65.12 109.695 175.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -97.05 174.9 6.52 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.802 0.841 . . . . 71.24 110.275 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.24 159.97 7.81 Favored Glycine 0 C--N 1.361 1.921 0 O-C-N 124.199 0.937 . . . . 45.34 113.832 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.3 m 76.39 -57.1 0.56 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 125.705 1.602 . . . . 51.51 110.286 -169.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.5 m -68.83 -38.62 79.98 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.692 0.797 . . . . 75.13 111.859 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.455 ' HA ' HG12 ' A' ' 67' ' ' ILE . 8.3 t -95.69 4.26 53.17 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.208 0.603 . . . . 50.01 111.39 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -76.82 -46.44 24.88 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 122.93 0.492 . . . . 54.04 111.514 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.6 p -112.74 128.51 25.48 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 123.934 0.894 . . . . 74.23 109.862 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -54.38 -25.59 40.21 Favored 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.797 2.998 . . . . 74.44 114.385 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 t -58.16 -48.23 80.93 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 123.823 0.849 . . . . 75.13 110.434 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -72.83 -37.02 67.59 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.31 -0.859 . . . . 74.01 111.287 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.455 HG12 ' HA ' ' A' ' 61' ' ' THR . 66.9 mt -57.6 -55.25 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 123.86 0.864 . . . . 74.43 111.726 -178.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.7 mt -67.71 -49.13 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 115.436 -0.802 . . . . 51.12 110.739 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.1 m -66.36 -35.8 81.28 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.15 0.58 . . . . 63.51 112.182 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 74' ' ' ILE . 40.5 tp -65.58 -53.93 34.97 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.384 -0.598 . . . . 65.54 109.384 176.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -55.01 -40.25 69.95 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 124.22 0.95 . . . . 65.33 111.791 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -71.01 -42.64 69.33 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.336 0.655 . . . . 74.12 111.147 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.85 -45.3 96.03 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 112.34 -0.304 . . . . 72.43 112.34 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 70' ' ' LEU . 64.1 mt -60.77 -44.52 97.57 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 C-N-CA 124.23 1.012 . . . . 75.23 109.831 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -57.67 -54.4 47.32 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.414 1.071 . . . . 72.24 111.009 -177.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -64.22 -33.4 75.71 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.438 0.461 . . . . 73.43 111.73 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -67.92 -45.81 73.31 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.886 0.374 . . . . 63.05 110.529 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.565 ' HB3' HG21 ' A' ' 85' ' ' VAL . 81.8 mt -67.12 -29.06 68.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.386 0.674 . . . . 72.21 111.437 177.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.7 mt-30 -81.59 -23.8 36.88 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.589 0.756 . . . . 65.05 111.625 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.28 -39.57 93.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.01 0.924 . . . . 74.22 109.91 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -91.73 -43.85 9.33 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.994 -1.003 . . . . 73.33 111.903 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.458 HD11 ' HG3' ' A' ' 22' ' ' MET . 33.2 mt -125.18 108.45 27.39 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 123.542 0.737 . . . . 71.11 109.953 -167.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.79 -12.73 35.3 Favored 'Trans proline' 0 C--N 1.369 1.61 0 C-N-CA 122.65 2.234 . . . . 72.24 112.682 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -70.05 -26.25 63.94 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.484 0.714 . . . . 62.05 110.815 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 78' ' ' LEU . 91.8 t -71.1 101.34 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 108.388 -0.968 . . . . 74.52 108.388 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -85.0 -26.33 27.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.019 -0.991 . . . . 73.32 110.324 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.11 178.88 46.69 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 115.711 -0.677 . . . . 62.22 112.263 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 52' ' ' VAL . 74.1 t -131.91 146.65 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.739 1.216 . . . . 72.41 108.058 174.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -127.26 143.2 51.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.164 0.586 . . . . 64.31 110.062 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.401 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 6.0 tt0 -84.26 117.18 23.38 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 108.04 -1.096 . . . . 71.41 108.04 170.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.6 m -117.6 112.33 38.32 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.624 0.726 . . . . 64.12 109.972 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 64.5 mtm -78.03 85.78 4.23 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 108.242 -1.021 . . . . 71.23 108.242 173.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -106.8 108.13 19.49 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.82 -1.178 . . . . 73.32 107.82 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.4 t70 66.61 79.74 0.23 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.341 1.057 . . . . 64.23 110.296 -171.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -79.98 -36.62 35.77 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.52 -0.764 . . . . 64.41 109.696 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 t -172.57 41.76 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 106.925 -1.509 . . . . 73.2 106.925 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 . . . . . 0 N--CA 1.482 1.173 0 C-N-CA 124.379 1.072 . . . . 74.14 109.073 -167.532 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtm . . . . . 0 N--CA 1.483 1.175 0 N-CA-C 109.452 -0.573 . . . . 73.54 109.452 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.5 -125.09 22.94 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 119.651 -0.527 . . . . 71.24 113.134 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.7 m80 60.92 23.81 13.87 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.389 1.075 . . . . 74.24 111.317 -175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -140.16 84.91 1.99 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.68 -1.23 . . . . 74.4 107.68 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -168.9 164.61 11.68 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.262 1.025 . . . . 75.52 109.084 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -82.43 106.26 14.16 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.377 0.271 . . . . 75.1 110.419 176.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -64.96 104.67 0.89 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 106.255 -1.757 . . . . 74.42 106.255 161.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -66.72 85.29 0.11 Allowed 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 122.187 0.994 . . . . 74.43 112.219 -168.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -96.3 -172.36 2.51 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.318 1.047 . . . . 72.44 110.509 -175.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -166.4 114.05 0.88 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.367 -0.975 . . . . 71.21 108.367 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 38.9 ttp -93.74 44.92 1.14 Allowed 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 121.614 0.721 . . . . 74.1 110.259 -173.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -78.77 68.23 3.06 Favored Glycine 0 C--N 1.357 1.698 0 CA-C-N 115.551 -0.749 . . . . 70.11 111.765 177.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.6 p -159.54 -52.82 0.06 Allowed 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.417 1.087 . . . . 74.14 108.074 -169.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -137.36 120.42 16.62 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.781 -1.1 . . . . 74.34 108.559 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -140.18 57.87 1.59 Allowed 'General case' 0 C--O 1.243 0.713 0 N-CA-C 107.46 -1.311 . . . . 63.01 107.46 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -96.45 146.07 25.1 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 114.14 -1.391 . . . . 70.34 110.137 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -84.45 7.39 19.91 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.533 0.733 . . . . 62.31 111.515 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.96 -56.18 6.65 Favored Glycine 0 C--N 1.354 1.552 0 N-CA-C 112.094 -0.403 . . . . 64.3 112.094 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.93 -44.26 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.593 0.757 . . . . 72.43 110.43 174.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.422 HG12 ' HE3' ' A' ' 24' ' ' LYS . 73.7 t -60.78 -43.17 94.74 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 123.85 0.86 . . . . 71.23 111.481 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.58 87.73 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.128 0.571 . . . . 54.21 111.721 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.0 ptm -76.25 -26.19 55.73 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 111.636 0.235 . . . . 62.4 111.636 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.411 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 85.0 mt -65.76 -49.43 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.578 -0.897 . . . . 72.31 108.578 169.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HE3' HG12 ' A' ' 20' ' ' VAL . 98.3 mttt -54.08 -42.13 68.97 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.068 0.947 . . . . 72.13 112.008 179.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -73.36 -41.85 62.92 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-O 119.005 -0.521 . . . . 50.41 110.385 -177.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.66 -32.8 73.93 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 122.962 0.505 . . . . 71.42 111.471 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 77.7 mt -68.88 -54.53 15.11 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.878 -0.601 . . . . 64.33 109.526 172.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -63.51 -29.29 70.58 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.556 1.142 . . . . 74.04 112.793 -171.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -90.44 -46.7 8.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.288 0.635 . . . . 53.53 111.674 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 26.1 mtp180 -98.93 -56.09 2.53 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.766 0.426 . . . . 65.42 111.28 -173.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -76.19 -61.77 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 118.962 -0.542 . . . . 73.43 110.983 -164.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -49.17 -49.62 68.62 Favored Pre-proline 0 CA--C 1.557 1.248 0 CA-C-O 117.399 -1.286 . . . . 75.33 113.342 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.442 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 66.1 Cg_exo -54.02 -46.82 30.74 Favored 'Trans proline' 0 C--N 1.399 3.203 0 C-N-CA 122.128 1.886 . . . . 63.31 112.592 176.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.8 m -64.22 -43.38 95.15 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.074 0.95 . . . . 45.13 111.75 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.55 HG13 ' SG ' ' A' ' 60' ' ' CYS . 61.6 t -74.52 -32.03 29.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 123.922 0.889 . . . . 65.41 111.233 -176.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.0 -22.68 52.73 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.157 0.583 . . . . 64.24 111.148 176.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 26.4 mm-40 -78.34 -31.07 48.48 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.371 -0.603 . . . . 72.33 109.371 169.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -72.42 -24.15 61.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.378 0.671 . . . . 71.33 110.454 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.41 -19.75 6.67 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 116.424 -0.353 . . . . 41.11 113.394 174.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.23 -145.92 16.08 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-O 120.129 -0.262 . . . . 64.31 113.289 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -172.39 162.01 5.3 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.905 1.282 . . . . 72.23 108.726 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.9 m -120.76 122.04 66.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 N-CA-C 108.076 -1.083 . . . . 75.01 108.076 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.476 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.7 mp -106.51 123.32 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 107.339 -1.356 . . . . 62.11 107.339 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -67.62 119.88 13.1 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 109.561 -0.533 . . . . 75.2 109.561 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.626 ' HD2' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -109.21 -43.57 4.12 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.543 0.737 . . . . 64.55 111.486 -174.526 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.89 178.93 41.48 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 114.277 0.471 . . . . 62.41 114.277 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -157.78 112.96 2.72 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.868 1.267 . . . . 73.12 107.978 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -126.63 104.48 8.13 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.89 -0.411 . . . . 63.24 109.89 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 65.04 10.27 6.16 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.434 1.093 . . . . 72.21 112.875 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.79 -17.03 6.44 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-O 120.105 -0.275 . . . . 71.03 113.627 -176.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.8 mm -86.92 101.54 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 109.325 -0.62 . . . . 73.51 109.325 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.491 HG21 HD13 ' A' ' 78' ' ' LEU . 50.5 t -78.71 116.23 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.242 1.017 . . . . 72.13 108.45 177.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -105.2 120.11 40.71 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.793 -0.447 . . . . 74.2 109.793 -174.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.4 mt -126.81 143.76 51.16 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.817 1.247 . . . . 74.14 109.889 -173.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.626 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . 87.7 tttt -87.22 105.78 17.45 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.984 -1.117 . . . . 73.31 107.984 173.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.6 mt -86.75 126.42 34.58 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.71 -1.218 . . . . 75.22 107.71 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -94.39 168.07 11.12 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.316 0.646 . . . . 44.23 111.161 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.54 161.75 9.1 Favored Glycine 0 C--N 1.36 1.881 0 O-C-N 124.192 0.932 . . . . 64.22 113.969 -178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.6 t 78.16 -41.74 0.33 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 125.895 1.678 . . . . 65.51 111.385 -172.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.55 ' SG ' HG13 ' A' ' 35' ' ' VAL . 58.2 m -85.47 -13.25 49.74 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.506 0.722 . . . . 71.35 111.561 176.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.8 p -107.16 24.57 12.61 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.275 1.03 . . . . 54.13 111.86 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -67.29 92.38 0.28 Allowed 'General case' 0 CA--C 1.546 0.825 0 O-C-N 123.466 0.479 . . . . 74.45 110.32 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 59.6 m 74.69 152.61 0.14 Allowed Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 125.266 1.426 . . . . 72.24 111.074 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -53.14 -26.05 31.71 Favored 'Trans proline' 0 C--N 1.394 2.948 0 C-N-CA 123.381 2.721 . . . . 75.5 114.35 -177.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.8 t -58.47 -57.42 13.02 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.275 0.63 . . . . 64.45 110.677 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -62.19 -35.71 79.68 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.328 0.651 . . . . 71.03 112.132 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.22 -54.51 33.92 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 C-N-CA 123.941 0.896 . . . . 71.43 111.111 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.6 mt -69.19 -37.12 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 123.736 0.814 . . . . 74.3 111.219 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.1 m -66.67 -42.6 86.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.387 0.675 . . . . 73.32 111.03 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.32 -46.78 82.04 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.775 0.672 . . . . 55.22 109.646 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.43 -40.3 78.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.382 1.473 . . . . 53.33 111.052 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -76.65 -33.98 58.29 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.681 0.792 . . . . 54.14 111.71 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.04 -45.5 95.97 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.521 -0.632 . . . . 45.43 111.521 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.81 -39.26 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 C-N-CA 124.245 1.018 . . . . 73.21 110.0 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.537 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 33.0 tt0 -56.64 -61.5 2.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.375 1.07 . . . . 73.14 111.122 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -66.94 -30.13 70.18 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 123.522 0.514 . . . . 64.25 111.727 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.436 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 35.1 ttp -64.04 -51.98 61.6 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 110.055 -0.35 . . . . 72.44 110.055 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.524 ' HB3' HG21 ' A' ' 85' ' ' VAL . 96.4 mt -65.3 -39.03 91.97 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 123.341 0.657 . . . . 75.02 111.233 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -67.51 -30.86 70.64 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.454 0.701 . . . . 65.22 111.947 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.25 -46.11 90.3 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.657 0.783 . . . . 61.15 110.229 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -87.75 -34.67 18.26 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.05 0.54 . . . . 61.31 111.607 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mt -123.13 107.68 32.7 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.7 1.2 . . . . 73.32 108.843 -168.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.66 -4.03 14.78 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 122.389 2.06 . . . . 65.23 112.455 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -78.36 -27.62 46.98 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.669 0.788 . . . . 61.23 111.278 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 78' ' ' LEU . 99.4 t -73.11 117.51 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 C-N-CA 123.287 0.635 . . . . 74.55 110.692 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -83.89 -35.09 24.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.926 1.29 . . . . 72.55 110.285 173.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.537 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 178.7 -167.46 37.87 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 115.562 -0.745 . . . . 74.45 112.106 -178.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.414 HG22 ' HB ' ' A' ' 52' ' ' VAL . 87.5 t -131.19 161.28 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 N-CA-C 107.849 -1.167 . . . . 72.22 107.849 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.28 145.84 31.42 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.36 0.664 . . . . 72.53 109.39 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -84.02 119.26 24.72 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.46 -0.941 . . . . 53.53 108.46 170.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.46 HG23 ' HG3' ' A' ' 45' ' ' LYS . 5.2 m -125.14 108.47 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 108.647 -0.872 . . . . 64.22 108.647 170.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 81.2 mtp -85.97 97.12 10.07 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.997 -0.742 . . . . 60.03 108.997 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.82 66.95 8.97 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 122.748 1.261 . . . . 63.04 108.95 170.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -99.44 -53.29 3.25 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.426 -1.715 . . . . 61.12 107.39 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -110.85 -23.89 10.74 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 114.191 -1.368 . . . . 64.15 109.192 164.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.2 t 65.1 21.3 12.18 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.142 0.977 . . . . 61.0 111.972 176.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 CA--C 1.554 1.122 0 C-N-CA 123.929 0.892 . . . . 62.4 110.228 -177.082 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 110.234 -0.284 . . . . 73.13 110.234 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.87 -37.94 93.31 Favored Glycine 0 C--N 1.352 1.429 0 O-C-N 123.835 0.71 . . . . 75.21 112.677 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -63.58 124.13 20.59 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.317 0.647 . . . . 62.31 109.444 174.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -82.82 160.97 22.11 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.459 0.704 . . . . 74.51 110.063 176.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -137.12 145.82 44.3 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.299 0.64 . . . . 74.22 109.855 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -114.67 160.66 19.09 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.787 0.835 . . . . 74.11 109.947 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -163.98 163.34 23.48 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.45 0.7 . . . . 74.55 110.03 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -88.65 139.72 30.18 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.13 0.572 . . . . 71.32 109.58 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 p -80.7 121.79 26.32 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.632 0.773 . . . . 50.11 111.017 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -80.59 81.98 6.72 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.78 0.832 . . . . 62.4 110.235 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.0 mmt -91.82 95.98 10.15 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.423 -0.808 . . . . 74.1 109.961 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.12 148.59 5.77 Favored Glycine 0 C--N 1.35 1.336 0 C-N-CA 121.332 -0.461 . . . . 51.5 113.845 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.2 p -172.96 51.33 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.802 1.241 . . . . 71.02 108.927 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -75.89 -77.9 0.12 Allowed 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 114.557 -1.201 . . . . 74.43 113.171 -169.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -131.62 12.61 4.91 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.349 0.659 . . . . 61.12 111.298 -170.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.26 -178.87 6.8 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.988 0.915 . . . . 62.34 110.636 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -72.11 -4.26 27.95 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.149 0.58 . . . . 72.11 111.106 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.23 -34.22 88.48 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 123.372 0.42 . . . . 61.31 112.882 171.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 23' ' ' ILE . 95.3 t -60.29 -51.08 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.181 0.592 . . . . 72.13 109.625 171.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.514 HG12 ' HE3' ' A' ' 24' ' ' LYS . 90.3 t -58.6 -40.81 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 124.394 1.078 . . . . 61.13 110.852 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.04 82.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.872 0.869 . . . . 62.41 111.593 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.581 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.6 ptm -79.19 -22.65 44.63 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 119.357 -0.354 . . . . 61.13 111.41 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 19' ' ' VAL . 89.2 mt -67.81 -41.06 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 108.999 -0.741 . . . . 72.34 108.999 170.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.514 ' HE3' HG12 ' A' ' 20' ' ' VAL . 99.5 mttt -52.5 -44.0 65.4 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.387 0.675 . . . . 55.55 111.679 177.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.54 -38.72 54.62 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 119.046 -0.502 . . . . 64.31 110.178 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 -28.85 70.29 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 118.401 0.546 . . . . 74.21 111.502 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.03 -55.59 6.3 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 109.06 -0.719 . . . . 75.14 109.06 171.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.84 -32.02 73.52 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.353 0.661 . . . . 64.44 112.31 -168.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -86.87 -38.22 16.96 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.385 0.674 . . . . 54.32 111.338 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.456 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 22.9 mtp-105 -108.42 -58.46 1.99 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 111.847 0.314 . . . . 75.25 111.847 -173.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 35' ' ' VAL . 47.8 mm -76.69 -58.3 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.117 0.567 . . . . 62.31 111.751 -166.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -48.59 -50.49 58.88 Favored Pre-proline 0 CA--C 1.56 1.353 0 CA-C-O 117.481 -1.247 . . . . 74.31 112.842 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.72 -37.87 84.41 Favored 'Trans proline' 0 C--N 1.398 3.153 0 C-N-CA 122.216 1.944 . . . . 51.31 113.181 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.9 m -69.47 -49.46 54.65 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.76 0.824 . . . . 72.24 111.421 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' ILE . 14.6 t -71.35 -31.14 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 123.134 0.574 . . . . 61.41 110.809 -174.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -69.02 -27.83 66.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.307 0.643 . . . . 61.12 111.21 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.27 -36.24 68.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.47 0.308 . . . . 63.32 110.173 170.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.04 -19.88 60.48 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.248 0.619 . . . . 71.42 111.303 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.62 3.96 28.54 Favored Glycine 0 C--N 1.344 1.012 0 CA-C-O 119.832 -0.427 . . . . 70.04 113.259 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.92 -152.43 9.19 Favored Glycine 0 N--CA 1.472 1.092 0 C-N-CA 123.364 0.507 . . . . 44.1 112.314 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.411 ' N ' ' HB2' ' A' ' 57' ' ' GLN . 26.5 t70 -172.69 163.21 5.16 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.478 1.111 . . . . 64.22 108.744 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.26 119.22 57.79 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 CA-C-O 121.347 0.594 . . . . 72.5 109.47 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.57 128.92 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.764 -1.198 . . . . 65.54 107.764 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.22 123.44 27.42 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 109.302 -0.629 . . . . 71.41 109.302 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -104.43 -47.79 4.01 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.964 0.906 . . . . 73.2 111.729 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.97 -179.9 47.59 Favored Glycine 0 N--CA 1.477 1.372 0 C-N-CA 120.618 -0.801 . . . . 43.02 114.144 -176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -151.41 117.9 5.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.965 0.906 . . . . 64.51 109.019 -175.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -143.67 142.22 30.9 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.113 0.565 . . . . 72.23 109.821 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 63.74 -77.99 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.34 1.456 . . . . 75.11 110.606 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.88 13.24 0.16 Allowed Glycine 0 C--N 1.338 0.641 0 N-CA-C 111.147 -0.781 . . . . 61.32 111.147 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.9 mm -103.65 119.93 52.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 123.179 0.592 . . . . 65.21 109.752 -172.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.479 HG21 HD13 ' A' ' 78' ' ' LEU . 28.1 t -86.86 101.51 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 108.753 -0.832 . . . . 72.43 108.753 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -79.93 114.13 18.61 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.101 0.56 . . . . 72.23 110.013 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -123.31 135.57 54.27 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.836 1.254 . . . . 72.33 109.974 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 85.8 tttt -88.74 110.16 20.76 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.527 -0.545 . . . . 75.11 109.527 173.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.449 HD12 HG23 ' A' ' 67' ' ' ILE . 42.1 mt -85.19 140.6 30.78 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.533 -0.914 . . . . 74.41 108.533 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.411 ' HB2' ' N ' ' A' ' 41' ' ' ASP . 78.8 mm-40 -96.05 175.88 6.31 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.472 0.709 . . . . 70.33 110.889 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.79 171.59 0.8 Allowed Glycine 0 C--N 1.357 1.697 0 O-C-N 124.144 0.902 . . . . 72.4 115.342 -175.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m 74.11 -61.97 0.48 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.528 1.531 . . . . 42.1 110.229 -171.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.4 m -62.49 -42.93 99.83 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.614 0.766 . . . . 71.24 111.035 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.404 HG22 ' NE2' ' A' ' 90' ' ' GLN . 71.4 p -77.39 -18.75 57.04 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.532 0.733 . . . . 71.12 112.382 -178.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -73.58 -11.36 60.41 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.44 0.696 . . . . 75.05 111.385 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 66' ' ' SER . 1.6 p -132.86 106.79 12.68 Favored Pre-proline 0 CA--C 1.563 1.457 0 C-N-CA 124.517 1.127 . . . . 73.21 109.126 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.428 ' HA ' HD12 ' A' ' 67' ' ' ILE . 51.7 Cg_exo -55.91 -38.57 94.41 Favored 'Trans proline' 0 C--N 1.388 2.612 0 C-N-CA 123.969 3.113 . . . . 54.13 115.363 -171.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 m -70.48 -33.89 71.76 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 117.705 0.23 . . . . 60.35 110.741 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.443 ' HB3' ' SG ' ' A' ' 63' ' ' CYS . 19.5 t -68.5 -31.6 70.99 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.071 0.548 . . . . 54.13 110.839 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.449 HG23 HD12 ' A' ' 56' ' ' LEU . 78.3 mt -57.23 -53.11 47.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.947 0 C-N-CA 123.755 0.822 . . . . 62.41 110.072 171.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.03 -46.92 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-N 114.698 -1.137 . . . . 74.52 110.563 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.5 m -65.05 -40.63 95.04 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.806 0.843 . . . . 74.45 111.503 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.71 -50.61 70.45 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.127 0.571 . . . . 74.4 109.897 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -38.89 72.2 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.155 1.382 . . . . 73.44 111.292 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -68.23 -39.9 82.17 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.792 0.837 . . . . 71.31 111.419 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.75 -46.03 92.94 Favored Glycine 0 C--N 1.346 1.086 0 O-C-N 123.431 0.457 . . . . 42.11 112.27 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.44 -42.92 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.069 0.947 . . . . 60.03 109.885 176.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.89 -55.86 28.02 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.957 -1.02 . . . . 71.35 111.272 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.64 -32.14 72.28 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.713 0.805 . . . . 74.45 111.349 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.456 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 45.6 ttp -62.64 -54.85 33.26 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.068 0.547 . . . . 74.11 110.158 171.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.534 ' HB3' HG21 ' A' ' 85' ' ' VAL . 83.6 mt -66.46 -27.55 67.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.044 0.937 . . . . 73.42 112.321 -175.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 97.7 mt-30 -81.32 -26.6 35.51 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.197 0.599 . . . . 65.14 111.216 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.96 -39.51 83.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 122.905 0.482 . . . . 74.43 109.936 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -86.82 -65.7 0.99 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.974 -0.557 . . . . 75.13 110.471 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.581 HD11 ' HG3' ' A' ' 22' ' ' MET . 46.3 mt -97.85 118.02 64.46 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 124.45 1.1 . . . . 62.23 110.873 -173.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 82' ' ' ILE . 7.6 Cg_exo -73.67 -14.5 24.54 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 123.074 2.516 . . . . 65.52 113.221 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.41 -27.66 64.45 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.218 0.607 . . . . 61.54 110.953 -176.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 78' ' ' LEU . 57.5 t -72.12 99.53 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 123.587 0.755 . . . . 73.0 110.482 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.96 -28.34 57.87 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 123.741 0.816 . . . . 63.23 110.64 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.2 -176.39 43.44 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 116.328 -0.396 . . . . 71.3 113.058 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.462 HG22 ' HB ' ' A' ' 52' ' ' VAL . 63.1 t -129.28 148.85 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.958 1.303 . . . . 64.2 107.981 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -130.15 142.5 50.58 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.18 0.592 . . . . 73.42 109.826 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.404 ' NE2' HG22 ' A' ' 61' ' ' THR . 42.6 tt0 -85.8 116.31 23.97 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.525 -0.917 . . . . 51.04 108.525 169.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 13.3 m -117.81 141.97 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.5 -0.926 . . . . 72.43 108.5 171.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.1 ptm -141.16 96.92 3.07 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.465 0.65 . . . . 44.45 110.462 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -73.68 95.59 2.37 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 108.514 -0.921 . . . . 70.54 108.514 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -76.37 91.93 3.32 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 122.063 0.935 . . . . 64.44 109.36 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -65.29 -25.66 67.73 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.985 1.314 . . . . 75.23 112.224 -172.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.3 t -142.56 28.11 1.65 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.206 1.002 . . . . 75.12 109.038 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 N--CA 1.486 1.349 0 C-N-CA 124.444 1.097 . . . . 74.12 110.724 -173.838 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.7 mtp . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.664 -0.495 . . . . 71.12 109.664 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.66 99.77 0.22 Allowed Glycine 0 C--N 1.345 1.054 0 O-C-N 123.607 0.567 . . . . 75.35 111.996 -175.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -69.95 -22.82 63.14 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.166 0.586 . . . . 71.44 110.148 175.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -127.1 121.82 32.55 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.483 1.113 . . . . 72.43 109.5 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -129.75 108.22 10.01 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 107.937 -1.135 . . . . 73.44 107.937 172.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -99.68 144.04 29.22 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.004 0.522 . . . . 75.32 110.184 -173.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 63.4 86.36 0.12 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.948 1.299 . . . . 64.11 110.522 -177.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -85.68 94.01 8.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.853 -0.612 . . . . 64.33 109.615 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.9 t -67.13 110.66 3.53 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.733 0.813 . . . . 62.22 109.91 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -118.32 113.13 20.97 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.625 0.77 . . . . 61.14 109.919 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.5 tpt -139.38 124.44 18.82 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.424 0.69 . . . . 74.23 109.207 174.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.73 -37.34 0.02 OUTLIER Glycine 0 C--N 1.337 0.592 0 N-CA-C 110.65 -0.98 . . . . 71.11 110.65 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.9 t -95.0 125.46 39.68 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 108.143 -1.058 . . . . 70.04 108.143 167.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -66.0 117.19 7.99 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.397 0.617 . . . . 74.42 110.386 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -75.46 163.76 27.08 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.512 -0.767 . . . . 64.45 111.06 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.86 -34.32 77.68 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.849 -0.614 . . . . 70.32 110.863 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 19.7 t70 -72.57 -10.83 60.27 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 115.564 -0.744 . . . . 72.0 110.739 176.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.11 -43.98 96.42 Favored Glycine 0 C--N 1.349 1.285 0 N-CA-C 111.59 -0.604 . . . . 64.53 111.59 170.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 23' ' ' ILE . 76.3 t -60.5 -50.73 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.819 0.847 . . . . 71.24 109.507 172.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 64.7 t -58.16 -39.46 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.705 1.202 . . . . 63.43 112.194 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.26 -42.25 69.01 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.36 0.664 . . . . 71.31 110.974 -175.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.606 ' HG3' HD11 ' A' ' 82' ' ' ILE . 25.2 ptm -73.26 -23.98 60.39 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 119.057 -0.497 . . . . 61.14 110.969 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 19' ' ' VAL . 81.1 mt -64.09 -48.81 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 108.722 -0.844 . . . . 63.33 108.722 169.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -52.5 -45.03 66.03 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.964 0.905 . . . . 74.43 111.868 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.35 -38.94 55.17 Favored 'General case' 0 C--O 1.207 -1.145 0 CA-C-O 118.948 -0.549 . . . . 71.34 110.583 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.72 -28.89 70.19 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 118.355 0.525 . . . . 61.33 110.86 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -74.82 -54.91 6.45 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.225 -0.657 . . . . 65.33 109.225 171.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.97 -26.4 68.82 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.731 0.812 . . . . 74.01 112.858 -171.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.0 p -91.4 -52.33 4.84 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.651 0.78 . . . . 60.42 110.477 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -91.11 -49.85 6.17 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.54 0.57 . . . . 73.32 112.54 -169.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.8 mm -89.61 -59.09 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.023 0.529 . . . . 73.43 112.26 -168.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.428 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 50.1 mtp180 -49.53 -54.08 34.4 Favored Pre-proline 0 N--CA 1.49 1.552 0 CA-C-O 117.676 -1.154 . . . . 75.13 113.186 -173.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 44.3 Cg_exo -57.96 -37.12 97.27 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 121.939 1.759 . . . . 63.54 112.529 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.9 m -63.18 -46.74 85.7 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.827 0.851 . . . . 73.14 110.966 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.2 t -73.04 -27.67 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 116.1 -0.5 . . . . 62.14 110.325 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -72.8 -30.06 63.77 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.113 0.565 . . . . 75.23 111.411 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -78.12 -26.22 47.81 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.914 0.486 . . . . 63.22 110.028 171.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -72.65 -22.56 60.91 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.642 0.777 . . . . 41.24 110.663 170.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.03 -24.42 10.75 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 116.22 -0.445 . . . . 42.53 112.899 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.09 -153.46 29.88 Favored Glycine 0 C--N 1.348 1.218 0 N-CA-C 112.189 -0.364 . . . . 73.31 112.189 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.459 ' HB3' ' HG3' ' A' ' 57' ' ' GLN . 21.9 t0 -173.13 159.39 3.89 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.987 0.915 . . . . 72.51 109.215 177.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 m -125.77 126.09 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 107.631 -1.248 . . . . 72.32 107.631 176.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -116.69 126.51 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 108.351 -0.981 . . . . 72.11 108.351 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' OH ' HG13 ' A' ' 20' ' ' VAL . 84.0 t80 -67.46 114.25 5.98 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 122.656 0.382 . . . . 71.42 110.304 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.466 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 9.4 mmpt? -97.92 -43.16 7.21 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.638 0.775 . . . . 72.11 111.612 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.37 -176.57 41.97 Favored Glycine 0 C--N 1.349 1.285 0 C-N-CA 120.756 -0.735 . . . . 61.33 114.586 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -156.26 110.96 2.84 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.927 1.291 . . . . 74.21 107.618 176.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -139.41 124.61 18.95 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.979 0.512 . . . . 74.24 109.892 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 57.51 33.0 22.69 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.912 1.285 . . . . 72.55 111.885 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.53 2.3 82.46 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.594 -0.73 . . . . 62.33 113.963 178.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.4 mm -101.91 114.27 40.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.353 0.661 . . . . 70.12 109.955 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.532 ' HB ' HG22 ' A' ' 88' ' ' VAL . 33.1 t -81.7 110.33 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.783 0.833 . . . . 64.24 109.324 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.557 ' HB3' HG21 ' A' ' 91' ' ' VAL . 79.5 mt-30 -86.55 121.05 28.55 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.335 0.654 . . . . 74.13 109.853 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.6 mt -130.46 137.7 49.92 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.863 0.865 . . . . 75.44 111.47 -175.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HG3' ' HA ' ' A' ' 92' ' ' MET . 87.9 tttt -90.94 109.65 20.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.103 0.961 . . . . 74.31 109.523 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.407 HD12 HG23 ' A' ' 67' ' ' ILE . 30.7 mt -90.86 140.58 29.67 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.234 -0.654 . . . . 73.31 109.234 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.459 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 83.6 mm-40 -102.04 165.69 11.03 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.241 0.616 . . . . 71.22 112.287 -175.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.49 84.41 0.08 OUTLIER Glycine 0 C--N 1.356 1.643 0 CA-C-N 115.237 -0.892 . . . . 63.43 114.306 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t 176.56 -55.38 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.615 1.566 . . . . 54.11 107.924 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.3 p -75.32 -9.66 58.76 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.649 -1.16 . . . . 41.53 110.781 173.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -99.46 -1.93 37.31 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.231 1.013 . . . . 71.44 112.682 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.1 m -61.48 -21.8 64.51 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.308 0.855 . . . . 63.04 113.308 -171.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.3 p -146.34 148.37 34.28 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 123.397 0.679 . . . . 72.42 109.337 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.57 -27.31 81.61 Favored 'Trans proline' 0 C--N 1.385 2.468 0 C-N-CA 122.378 2.052 . . . . 73.52 111.77 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 m -56.72 -54.22 48.78 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.802 0.841 . . . . 64.34 111.382 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.9 p -68.19 -36.08 79.01 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.201 0.6 . . . . 73.12 111.937 -176.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 56' ' ' LEU . 76.1 mt -54.22 -53.77 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.536 0.735 . . . . 71.13 110.584 175.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.35 -41.1 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.016 -0.993 . . . . 74.41 110.954 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.2 m -64.07 -44.86 91.12 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.277 0.631 . . . . 74.4 111.537 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.18 -50.47 73.53 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.184 0.594 . . . . 73.13 109.843 174.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -34.78 69.37 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.691 1.196 . . . . 75.22 112.005 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -75.85 -42.0 50.82 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.403 0.681 . . . . 71.04 111.491 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.46 -40.76 99.17 Favored Glycine 0 C--N 1.347 1.193 0 N-CA-C 111.83 -0.508 . . . . 43.33 111.83 178.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.2 -45.2 99.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.938 0.895 . . . . 75.24 110.54 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -60.63 -47.54 85.75 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.636 0.585 . . . . 74.21 111.13 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -61.95 -39.58 92.61 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.585 0.754 . . . . 73.55 111.22 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.6 ttp -61.12 -55.91 26.98 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.708 0.63 . . . . 71.22 110.205 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.593 ' HB3' HG21 ' A' ' 85' ' ' VAL . 95.9 mt -64.15 -32.58 74.21 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.693 0.797 . . . . 71.1 111.839 -176.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -68.39 -32.4 72.45 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.904 0.481 . . . . 74.54 111.362 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.63 -45.89 84.91 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.475 0.485 . . . . 73.41 110.681 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -83.56 -27.84 29.0 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.74 -0.664 . . . . 71.44 111.32 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.606 HD11 ' HG3' ' A' ' 22' ' ' MET . 81.5 mt -141.71 112.15 6.37 Favored Pre-proline 0 N--CA 1.484 1.267 0 C-N-CA 123.884 0.874 . . . . 54.1 110.023 -168.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.28 -11.65 22.95 Favored 'Trans proline' 0 C--N 1.372 1.816 0 C-N-CA 122.332 2.021 . . . . 71.43 112.755 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.89 -28.54 66.78 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.548 0.739 . . . . 74.22 111.109 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 78' ' ' LEU . 84.0 t -71.61 104.84 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 109.343 -0.614 . . . . 72.12 109.343 176.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -91.81 -31.6 15.68 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.281 1.033 . . . . 72.43 110.459 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.96 175.05 38.5 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 116.094 -0.503 . . . . 72.5 112.379 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 52' ' ' VAL . 82.9 t -131.58 142.81 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 108.152 -1.055 . . . . 71.25 108.152 173.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -124.75 143.06 50.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.267 1.027 . . . . 75.24 109.335 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -84.3 124.94 31.79 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.424 -0.954 . . . . 64.44 108.424 170.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 53' ' ' GLN . 6.2 m -134.73 106.1 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 124.141 0.977 . . . . 64.22 108.733 172.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.405 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 81.4 mtp -90.96 96.22 10.52 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.408 -0.96 . . . . 71.3 108.408 177.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -58.24 141.19 51.52 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.103 -0.953 . . . . 73.32 110.385 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.18 98.81 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.065 1.346 . . . . 74.24 112.449 -171.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -125.17 -27.17 3.55 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.84 1.256 . . . . 64.14 111.117 -176.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.5 t -110.75 105.75 14.71 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.818 0.847 . . . . 72.3 110.097 -170.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 C--O 1.254 1.295 0 N-CA-C 108.824 -0.806 . . . . 71.53 108.824 178.779 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.509 0.195 . . . . 64.52 111.051 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.35 85.51 0.45 Allowed Glycine 0 C--N 1.346 1.132 0 CA-C-N 115.912 -0.585 . . . . 64.44 113.389 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -66.96 -20.97 65.98 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.731 0.777 . . . . 74.3 110.235 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -71.75 7.31 1.56 Allowed 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 126.047 1.739 . . . . 64.31 112.14 173.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -46.82 -55.66 7.55 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.528 1.131 . . . . 71.33 111.593 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -77.2 104.61 7.8 Favored 'General case' 0 CA--C 1.558 1.287 0 N-CA-C 109.312 -0.625 . . . . 71.53 109.312 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -158.73 140.22 13.37 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 122.078 -0.389 . . . . 75.51 110.282 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -84.76 159.96 20.36 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 107.424 -1.324 . . . . 73.31 107.424 162.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 m -60.92 103.53 0.28 Allowed 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.476 -0.935 . . . . 62.24 108.476 171.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -55.19 -34.91 64.29 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.658 1.183 . . . . 64.33 113.195 -162.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.3 ptp 72.02 -38.51 0.42 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 126.941 2.096 . . . . 72.41 114.239 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.13 79.62 0.88 Allowed Glycine 0 C--N 1.349 1.254 0 N-CA-C 111.522 -0.631 . . . . 34.22 111.522 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.2 p -65.42 108.35 1.94 Allowed 'General case' 0 C--O 1.244 0.78 0 C-N-CA 123.935 0.894 . . . . 65.01 109.044 175.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 73.09 -63.87 0.42 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.858 1.663 . . . . 72.53 111.009 -176.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -139.52 -83.0 0.27 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.176 0.59 . . . . 72.42 110.359 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -134.53 174.41 10.58 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 121.687 0.756 . . . . 75.23 111.887 -174.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -89.25 3.09 53.2 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 114.318 -1.31 . . . . 73.4 110.64 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.36 -57.14 19.63 Favored Glycine 0 C--N 1.361 1.917 0 N-CA-C 113.901 0.32 . . . . 75.32 113.901 -172.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 23' ' ' ILE . 75.6 t -64.69 -39.18 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 117.095 0.447 . . . . 65.14 109.942 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.495 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 63.9 t -57.63 -38.64 65.47 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 123.951 0.901 . . . . 74.14 110.486 178.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.56 87.07 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.353 1.061 . . . . 72.31 112.069 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.441 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 24.2 ptm -72.78 -27.06 61.77 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.044 0.137 . . . . 73.04 111.188 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 19' ' ' VAL . 64.9 mt -65.98 -39.86 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 109.371 -0.603 . . . . 74.32 109.371 173.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 92.1 mttt -52.36 -46.23 66.08 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.45 0.7 . . . . 70.23 111.524 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 22' ' ' MET . 10.2 pt-20 -72.59 -46.02 56.33 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.579 0.55 . . . . 63.42 109.668 -176.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.42 -32.29 71.2 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.242 0.617 . . . . 75.03 111.555 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.6 mt -72.3 -54.99 7.9 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 109.633 -0.506 . . . . 72.22 109.633 173.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.8 -24.42 66.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.488 0.715 . . . . 71.54 112.558 -170.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.9 p -91.92 -52.95 4.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.788 0.835 . . . . 62.21 111.359 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 49.2 mtp180 -89.17 -50.81 5.92 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.878 0.471 . . . . 73.13 111.94 -173.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.7 mm -85.89 -65.17 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-O 118.801 -0.618 . . . . 74.01 111.53 -167.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 48.9 mtp180 -43.23 -56.27 6.83 Favored Pre-proline 0 N--CA 1.487 1.386 0 CA-C-O 117.313 -1.327 . . . . 54.33 113.442 -173.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 46.3 Cg_exo -56.91 -39.83 88.54 Favored 'Trans proline' 0 C--N 1.406 3.553 0 C-N-CA 122.304 2.002 . . . . 65.03 112.256 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.4 m -65.53 -44.11 87.91 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.81 0.844 . . . . 62.32 110.439 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 31' ' ' ILE . 14.1 t -70.66 -31.01 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.08 0.552 . . . . 64.31 110.518 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -67.14 -36.46 81.9 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.598 0.759 . . . . 71.45 110.815 176.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -73.26 -28.75 62.31 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.441 0.696 . . . . 72.03 110.632 173.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.04 -22.73 58.23 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.864 0.865 . . . . 72.14 111.179 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.68 -5.98 26.1 Favored Glycine 0 N--CA 1.473 1.139 0 CA-C-O 119.835 -0.425 . . . . 43.02 113.46 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.45 -151.59 14.07 Favored Glycine 0 N--CA 1.474 1.178 0 N-CA-C 111.473 -0.651 . . . . 65.22 111.473 173.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -174.7 162.32 3.3 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.659 1.183 . . . . 71.34 108.695 172.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG12 HD22 ' A' ' 56' ' ' LEU . 17.7 m -123.22 127.66 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 N-CA-C 107.653 -1.24 . . . . 73.41 107.653 176.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -119.06 128.6 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 107.754 -1.202 . . . . 64.4 107.754 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.62 123.75 25.42 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 109.554 -0.535 . . . . 73.22 109.554 -176.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.468 ' HA ' ' NZ ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -116.77 -33.29 4.85 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.787 0.835 . . . . 74.15 112.167 -172.558 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.23 176.65 48.13 Favored Glycine 0 C--N 1.347 1.15 0 C-N-CA 121.38 -0.438 . . . . 71.25 112.98 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -151.88 111.08 3.9 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.607 -1.257 . . . . 71.13 107.607 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -140.45 122.26 15.42 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.826 0.451 . . . . 62.14 110.337 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 64.97 20.13 12.03 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.781 1.232 . . . . 73.31 111.819 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.69 -3.06 57.39 Favored Glycine 0 C--N 1.344 1.005 0 CA-C-N 115.566 -0.743 . . . . 52.4 113.329 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.1 mm -96.07 109.85 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.139 0.576 . . . . 75.12 110.035 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.548 ' HB ' HG22 ' A' ' 88' ' ' VAL . 48.7 t -77.94 106.02 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.574 -0.899 . . . . 52.32 108.574 177.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -91.95 116.76 29.19 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.702 0.801 . . . . 74.21 110.04 -174.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -126.09 138.21 53.68 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.719 1.208 . . . . 70.45 110.438 -173.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -86.54 114.15 23.04 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.221 -1.029 . . . . 64.12 108.221 172.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.483 HD13 HD23 ' A' ' 70' ' ' LEU . 35.9 mt -93.53 137.98 32.26 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.238 -0.653 . . . . 74.32 109.238 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -96.38 167.6 11.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.787 0.835 . . . . 64.4 111.692 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.42 169.97 2.77 Favored Glycine 0 C--N 1.359 1.819 0 O-C-N 124.337 1.023 . . . . 22.22 115.212 -174.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.5 m 77.63 -58.79 0.47 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.796 1.638 . . . . 54.53 110.525 -173.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.71 ' SG ' HD22 ' A' ' 70' ' ' LEU . 39.1 t -68.41 -32.27 72.2 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.203 0.601 . . . . 72.11 110.885 176.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.409 ' HA ' HG12 ' A' ' 67' ' ' ILE . 64.8 p -82.16 -23.91 35.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.333 0.653 . . . . 60.14 111.79 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.9 m -64.66 -23.04 67.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.592 0.757 . . . . 73.33 111.428 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.1 m -115.8 114.33 41.92 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.058 0.943 . . . . 54.34 108.95 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.13 -34.8 88.83 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.032 2.488 . . . . 74.44 113.233 -174.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -70.27 -30.08 67.02 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.03 0.532 . . . . 75.44 111.148 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.0 m -71.28 -31.27 67.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.749 0.42 . . . . 33.52 111.456 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.409 HG12 ' HA ' ' A' ' 61' ' ' THR . 38.8 mt -63.7 -43.25 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 109.45 -0.574 . . . . 74.31 109.45 173.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.48 -56.41 17.88 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 C-N-CA 123.59 0.756 . . . . 55.22 110.56 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 m -59.49 -40.72 87.9 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.575 0.75 . . . . 72.24 111.217 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.71 HD22 ' SG ' ' A' ' 60' ' ' CYS . 60.5 tp -61.53 -61.91 2.19 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 123.768 0.667 . . . . 72.53 110.174 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -58.31 -42.07 85.89 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.422 1.076 . . . . 75.43 111.641 -174.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -65.93 -40.85 91.78 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.945 0.898 . . . . 75.21 111.483 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.05 -44.18 91.94 Favored Glycine 0 C--N 1.341 0.833 0 O-C-N 123.368 0.417 . . . . 41.14 112.184 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 70' ' ' LEU . 79.2 mt -58.02 -45.81 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.324 1.05 . . . . 74.45 109.662 174.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -59.93 -57.37 13.17 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 114.508 -1.224 . . . . 75.4 110.673 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -62.25 -33.11 73.97 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.994 0.809 . . . . 72.5 111.726 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.423 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 40.5 ttp -63.08 -53.72 49.28 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.128 0.571 . . . . 75.31 109.94 175.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.553 ' HB3' HG21 ' A' ' 85' ' ' VAL . 99.2 mt -66.99 -29.24 69.03 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.723 0.809 . . . . 71.54 111.292 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -71.72 -31.52 66.8 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.355 0.662 . . . . 73.13 110.86 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -64.78 -48.53 74.14 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.564 0.54 . . . . 74.3 110.339 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -79.71 -37.99 34.46 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.126 -0.943 . . . . 65.14 111.339 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.3 mt -127.1 112.78 21.71 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 123.84 0.856 . . . . 72.21 109.957 -165.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -72.94 -9.02 23.18 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 123.154 2.57 . . . . 73.35 112.915 177.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.53 -30.49 63.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.091 0.556 . . . . 74.13 110.839 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.553 HG21 ' HB3' ' A' ' 78' ' ' LEU . 97.7 t -73.73 99.12 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 123.716 0.806 . . . . 62.42 111.085 -175.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.16 -39.19 68.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.534 0.734 . . . . 74.35 110.548 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.31 -175.86 37.65 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.324 -0.853 . . . . 53.24 112.404 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.548 HG22 ' HB ' ' A' ' 52' ' ' VAL . 70.3 t -129.89 146.39 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.844 1.257 . . . . 74.42 107.887 174.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -135.99 141.46 44.4 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.215 0.606 . . . . 52.11 109.656 -177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -84.09 121.8 27.93 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 108.828 -0.805 . . . . 62.32 108.828 173.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 m -125.24 123.33 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.296 1.038 . . . . 73.34 109.526 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 10.6 ptm -89.51 85.61 6.56 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.213 0.53 . . . . 64.51 110.018 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.11 78.06 6.78 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 107.799 -1.186 . . . . 73.21 107.799 165.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -158.4 149.2 20.46 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 112.359 -2.201 . . . . 75.45 106.116 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.88 -18.97 35.67 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 111.699 0.259 . . . . 74.2 111.699 -170.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.4 t -163.97 112.35 1.17 Allowed 'General case' 0 C--O 1.242 0.672 0 C-N-CA 123.832 0.853 . . . . 64.24 108.755 172.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 CA--C 1.554 1.131 0 C-N-CA 123.007 0.523 . . . . 64.32 110.209 176.828 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mmm . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 110.244 -0.28 . . . . 74.14 110.244 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.42 -83.48 0.55 Allowed Glycine 0 C--N 1.35 1.311 0 O-C-N 123.636 0.585 . . . . 71.43 113.292 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -67.45 113.42 5.3 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.948 0.899 . . . . 72.53 111.565 -176.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -74.21 127.48 33.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.592 0.757 . . . . 73.03 109.177 175.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -158.47 115.28 2.8 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 123.731 0.812 . . . . 74.32 109.148 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -71.3 155.16 41.0 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.107 0.479 . . . . 71.32 110.676 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -78.03 144.25 36.79 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.694 -0.854 . . . . 73.43 108.694 172.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -59.33 120.42 9.25 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 109.201 -0.666 . . . . 55.21 109.201 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.1 m -54.08 104.04 0.1 Allowed 'General case' 0 C--N 1.353 0.749 0 C-N-CA 124.618 1.167 . . . . 65.23 112.639 -165.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -74.32 84.57 1.93 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.343 -0.844 . . . . 64.04 108.974 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.7 tpt -128.71 148.4 50.83 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.954 1.302 . . . . 70.24 108.971 -172.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.13 98.6 0.05 OUTLIER Glycine 0 C--N 1.355 1.62 0 O-C-N 123.893 0.746 . . . . 32.53 112.973 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.5 t -149.36 171.98 15.65 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.125 0.97 . . . . 25.34 110.64 -172.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -72.05 -28.49 63.38 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.069 0.948 . . . . 61.41 109.62 173.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -69.07 -30.38 68.7 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.427 1.091 . . . . 74.44 111.221 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -71.2 155.55 40.6 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.871 -1.059 . . . . 73.3 111.542 -170.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.41 3.94 14.42 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.099 0.959 . . . . 73.54 112.158 -178.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.44 -35.27 90.78 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 112.181 -0.368 . . . . 53.23 112.181 168.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 23' ' ' ILE . 98.8 t -62.5 -50.0 81.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.588 0.755 . . . . 73.41 109.637 171.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.7 -34.05 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 C-N-CA 123.937 0.895 . . . . 72.35 111.022 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.47 -45.46 68.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.057 0.943 . . . . 70.55 111.605 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.429 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.3 ptm -72.8 -23.87 60.84 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 119.514 -0.279 . . . . 72.34 110.959 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 19' ' ' VAL . 88.6 mt -67.32 -45.51 85.82 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 N-CA-C 109.054 -0.721 . . . . 75.22 109.054 169.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -54.45 -42.33 70.47 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.194 0.598 . . . . 64.4 110.912 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.84 -52.25 52.05 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 124.066 0.854 . . . . 65.51 111.063 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.1 -36.68 77.97 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.579 0.752 . . . . 73.44 111.281 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.4 -49.64 58.62 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.801 -0.444 . . . . 64.43 109.801 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 26.7 t70 -66.47 -33.95 76.84 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.536 0.734 . . . . 45.33 112.665 -169.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.4 p -87.95 -46.93 8.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.081 0.552 . . . . 72.0 111.652 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -89.15 -54.0 4.31 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.24 0.616 . . . . 72.34 111.955 -169.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.9 mm -88.79 -57.04 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 115.939 -0.573 . . . . 74.24 111.216 -165.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 73.9 mtp180 -51.15 -55.48 27.98 Favored Pre-proline 0 N--CA 1.481 1.121 0 CA-C-O 117.416 -1.278 . . . . 74.41 112.914 -172.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.471 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 32.6 Cg_exo -59.77 -37.85 84.29 Favored 'Trans proline' 0 C--N 1.395 2.979 0 C-N-CA 122.328 2.019 . . . . 72.13 111.927 -175.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.2 m -60.86 -47.82 84.64 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.025 0.93 . . . . 44.04 110.743 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.651 HG13 ' SG ' ' A' ' 60' ' ' CYS . 40.4 t -72.38 -30.28 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 115.677 -0.692 . . . . 54.3 110.365 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 74.0 mt-30 -67.44 -38.87 85.18 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.638 0.775 . . . . 65.33 111.233 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 33' ' ' PRO . 45.5 mt-10 -71.19 -33.04 69.58 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.356 0.41 . . . . 63.34 109.914 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.76 -21.03 63.47 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.507 -0.77 . . . . 73.2 110.79 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.03 -13.13 11.38 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-O 120.092 -0.282 . . . . 74.03 113.281 172.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -103.66 -145.76 15.42 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-O 120.064 -0.298 . . . . 43.01 113.124 177.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t0 179.3 159.88 0.69 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.573 1.549 . . . . 74.42 108.385 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.6 m -123.05 120.86 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 108.521 -0.918 . . . . 72.44 108.521 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.463 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.4 mp -113.08 121.17 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 108.321 -0.992 . . . . 74.44 108.321 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.448 ' OH ' ' HB2' ' A' ' 47' ' ' PHE . 1.6 t80 -71.7 112.87 8.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.232 0.613 . . . . 75.41 109.642 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -97.73 -44.6 6.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.713 0.805 . . . . 72.03 111.967 -174.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.66 167.76 37.95 Favored Glycine 0 C--N 1.348 1.224 0 C-N-CA 120.572 -0.823 . . . . 73.13 114.802 -175.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.448 ' HB2' ' OH ' ' A' ' 44' ' ' TYR . 39.8 t80 -146.1 113.62 6.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.711 1.204 . . . . 74.1 108.067 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -146.96 124.0 11.41 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.248 0.619 . . . . 61.34 109.772 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 66.91 19.03 10.66 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.989 1.315 . . . . 62.33 111.938 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.58 -0.48 70.8 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 116.682 -0.235 . . . . 74.02 113.078 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.1 mm -92.93 112.13 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.6 0.76 . . . . 75.23 109.471 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.508 ' HB ' HG22 ' A' ' 88' ' ' VAL . 58.0 t -88.67 100.56 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.468 1.107 . . . . 71.42 109.077 -178.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.63 115.7 20.28 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.164 0.586 . . . . 75.44 109.457 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -120.3 141.02 50.39 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.126 0.97 . . . . 72.22 111.248 -176.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.607 ' HD2' ' HB3' ' A' ' 93' ' ' ASP . 79.0 tttt -90.89 108.14 19.65 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.706 1.202 . . . . 75.41 109.258 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.9 mt -91.56 132.12 36.52 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.174 -0.676 . . . . 74.05 109.174 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.458 ' OE1' ' HE2' ' A' ' 55' ' ' LYS . 8.0 mm100 -95.27 175.37 6.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.214 0.606 . . . . 70.13 110.543 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.99 169.06 1.88 Allowed Glycine 0 C--N 1.353 1.498 0 O-C-N 124.04 0.837 . . . . 75.43 114.513 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.3 t 75.75 -52.43 0.63 Allowed 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.513 1.525 . . . . 72.23 110.4 -169.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.651 ' SG ' HG13 ' A' ' 35' ' ' VAL . 83.8 m -82.25 -50.13 9.32 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.319 0.647 . . . . 65.3 111.275 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 t -76.56 -13.33 60.09 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.735 0.414 . . . . 63.03 111.628 -175.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m -69.69 -22.33 63.42 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.912 0.885 . . . . 61.33 112.218 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 75.4 m -128.19 122.13 21.94 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 123.498 0.719 . . . . 74.43 109.216 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.511 ' HA ' HD12 ' A' ' 67' ' ' ILE . 28.6 Cg_endo -60.15 -23.54 74.01 Favored 'Trans proline' 0 C--N 1.383 2.365 0 C-N-CA 123.513 2.809 . . . . 70.01 112.777 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.2 p -62.31 -51.58 67.1 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.783 0.833 . . . . 63.35 110.105 172.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.5 m -70.94 -27.31 63.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.651 0.781 . . . . 52.34 111.75 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 64' ' ' PRO . 87.2 mt -61.53 -51.58 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.097 0.559 . . . . 73.44 109.983 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.54 -46.18 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 123.863 0.727 . . . . 54.13 110.63 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.4 m -63.18 -44.79 94.41 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.211 0.604 . . . . 71.41 111.494 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.0 tp -65.22 -46.56 80.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.814 0.445 . . . . 63.01 109.944 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -57.43 -43.76 84.14 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.125 0.97 . . . . 43.54 111.314 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -67.53 -42.73 82.25 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.397 1.079 . . . . 73.42 110.993 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.82 -47.52 89.7 Favored Glycine 0 C--N 1.344 1.004 0 O-C-N 123.658 0.599 . . . . 73.43 112.043 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.95 -40.72 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.871 0.869 . . . . 64.13 110.188 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -59.2 -56.83 17.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.613 0.765 . . . . 73.21 110.164 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -64.16 -30.93 71.96 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.629 0.581 . . . . 65.43 111.501 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -67.01 -48.81 67.27 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.678 0.391 . . . . 74.53 110.695 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.521 ' HB3' HG21 ' A' ' 85' ' ' VAL . 90.7 mt -66.59 -35.49 80.33 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.635 0.774 . . . . 71.41 111.198 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -73.01 -28.61 62.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.501 0.72 . . . . 74.31 111.157 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -64.13 -45.17 89.76 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.832 0.853 . . . . 74.24 110.465 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -90.73 -34.46 15.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.69 -0.686 . . . . 74.54 111.462 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.429 HD11 ' HG3' ' A' ' 22' ' ' MET . 42.1 mt -125.11 107.24 28.01 Favored Pre-proline 0 N--CA 1.482 1.167 0 C-N-CA 123.689 0.796 . . . . 60.53 109.912 -172.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.09 -11.61 30.73 Favored 'Trans proline' 0 C--N 1.369 1.634 0 C-N-CA 122.961 2.441 . . . . 70.33 113.071 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -70.21 -26.66 63.97 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.676 0.79 . . . . 65.34 112.046 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.521 HG21 ' HB3' ' A' ' 78' ' ' LEU . 85.7 t -73.57 120.6 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 123.188 0.595 . . . . 73.21 110.201 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -94.9 -31.99 13.43 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.192 0.997 . . . . 75.43 110.929 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.96 -178.22 41.37 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-N 116.325 -0.398 . . . . 52.42 113.289 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.508 HG22 ' HB ' ' A' ' 52' ' ' VAL . 63.1 t -131.26 134.68 60.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 124.941 1.296 . . . . 73.42 108.11 175.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -114.41 142.75 45.95 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.639 0.776 . . . . 75.23 109.628 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -85.71 125.13 32.97 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.577 -0.527 . . . . 65.01 109.577 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 11.6 m -131.13 109.4 16.35 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 N-CA-C 108.547 -0.909 . . . . 70.43 108.547 172.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 71.1 mtm -91.64 91.14 7.88 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.645 -0.659 . . . . 61.34 110.911 -174.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.607 ' HB3' ' HD2' ' A' ' 55' ' ' LYS . 10.9 t70 -81.48 71.92 8.51 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 122.087 0.946 . . . . 71.03 109.866 174.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -149.8 119.63 7.09 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 107.62 -1.252 . . . . 52.52 107.62 177.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 50.04 25.74 1.81 Allowed 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 126.066 1.747 . . . . 62.44 112.551 -171.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.0 t -127.93 0.96 5.97 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.33 0.652 . . . . 64.32 111.872 -171.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 C--O 1.253 1.26 0 CA-C-O 119.251 -0.405 . . . . 75.41 110.107 179.236 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpp? . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 108.865 -0.791 . . . . 73.41 108.865 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.34 -112.59 0.13 Allowed Glycine 0 C--N 1.344 1.015 0 N-CA-C 111.042 -0.823 . . . . 63.31 111.042 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -74.12 134.25 42.86 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 108.86 -0.793 . . . . 75.45 108.86 174.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -55.93 -53.47 56.48 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.021 0.528 . . . . 73.43 111.261 -173.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -85.0 84.06 7.85 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 106.961 -1.496 . . . . 65.21 106.961 168.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -57.71 161.3 3.8 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.293 1.437 . . . . 74.23 112.653 -172.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -63.8 87.79 0.04 OUTLIER 'General case' 0 C--N 1.36 1.046 0 CA-C-O 121.661 0.743 . . . . 72.04 109.639 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -101.89 -74.14 0.63 Allowed 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.017 -1.447 . . . . 72.2 108.788 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.4 p 178.51 135.66 0.08 Allowed 'General case' 0 C--N 1.349 0.559 0 C-N-CA 124.757 1.223 . . . . 63.4 108.937 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -109.78 132.81 53.81 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.179 -1.045 . . . . 75.35 108.179 170.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.3 mpp? 65.03 -71.49 0.08 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.695 1.598 . . . . 61.12 109.63 -170.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.98 155.02 7.76 Favored Glycine 0 C--N 1.346 1.132 0 N-CA-C 110.703 -0.959 . . . . 72.15 110.703 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 p -71.6 -49.29 41.73 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.152 0.581 . . . . 60.14 109.466 170.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -161.29 155.65 22.89 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 124.411 1.084 . . . . 73.41 109.028 173.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -78.32 175.99 9.73 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.634 0.374 . . . . 72.4 110.684 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 54.55 47.92 21.61 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.984 0.897 . . . . 74.31 108.714 -162.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -70.59 -0.95 9.64 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 114.152 -1.385 . . . . 63.14 111.391 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.46 -36.88 86.48 Favored Glycine 0 C--N 1.351 1.383 0 C-N-CA 123.292 0.473 . . . . 52.45 113.217 168.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG13 HD13 ' A' ' 82' ' ' ILE . 76.0 t -60.56 -52.46 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.362 0.665 . . . . 62.44 109.518 171.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.525 HG12 ' HE3' ' A' ' 24' ' ' LYS . 88.1 t -60.54 -34.6 58.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 124.645 1.178 . . . . 65.11 110.755 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.52 -42.08 59.5 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.964 0.906 . . . . 72.31 110.818 -176.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.545 ' HG3' HD11 ' A' ' 82' ' ' ILE . 24.3 ptp -71.27 -31.22 67.23 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.004 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 19' ' ' VAL . 96.1 mt -58.35 -50.27 79.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 109.105 -0.702 . . . . 71.21 109.105 171.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HE3' HG12 ' A' ' 20' ' ' VAL . 96.8 mttt -54.69 -41.45 70.26 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.951 0.782 . . . . 74.35 112.718 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -74.4 -43.29 57.03 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 109.737 -0.468 . . . . 64.34 109.737 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.14 -33.46 75.5 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.838 0.855 . . . . 74.54 110.913 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 95.6 mt -65.37 -56.13 14.29 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 109.314 -0.624 . . . . 65.21 109.314 171.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.99 -32.27 73.92 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 116.15 -0.477 . . . . 62.32 112.269 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.2 p -90.33 -43.51 10.29 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.731 0.812 . . . . 64.15 111.88 -174.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -99.09 -54.1 3.07 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.484 0.179 . . . . 75.04 111.484 -175.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.7 mm -76.24 -62.85 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 118.744 -0.646 . . . . 50.3 111.267 -167.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -44.45 -51.72 19.46 Favored Pre-proline 0 N--CA 1.486 1.369 0 CA-C-O 116.931 -1.509 . . . . 73.01 113.171 -177.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 69.4 Cg_exo -51.32 -49.29 17.6 Favored 'Trans proline' 0 C--N 1.404 3.457 0 C-N-CA 122.509 2.14 . . . . 71.41 112.299 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.0 m -60.14 -44.25 95.1 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.218 1.007 . . . . 75.22 111.721 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' ILE . 17.4 t -69.77 -32.57 52.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 115.735 -0.666 . . . . 74.22 110.456 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -76.32 -18.87 58.72 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.754 0.822 . . . . 62.44 111.112 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 6.3 mm-40 -68.8 -34.59 75.78 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.286 -0.635 . . . . 65.12 109.286 169.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -79.58 -23.11 42.97 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.286 -0.87 . . . . 74.31 110.645 174.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.84 -10.6 34.75 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 119.96 -0.356 . . . . 55.02 112.596 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.15 -162.15 37.33 Favored Glycine 0 C--N 1.348 1.196 0 N-CA-C 111.789 -0.525 . . . . 61.41 111.789 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' HB3' ' HG3' ' A' ' 57' ' ' GLN . 26.2 t0 -166.85 162.81 16.15 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.246 0.618 . . . . 74.14 109.548 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 m -128.34 130.78 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.866 0.866 . . . . 63.0 109.488 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.545 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -115.28 129.09 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 107.69 -1.226 . . . . 71.34 107.69 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.448 ' OH ' HG13 ' A' ' 20' ' ' VAL . 74.5 t80 -72.18 128.2 34.94 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.821 -0.437 . . . . 64.15 109.821 176.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.576 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 9.7 mmpt? -113.14 -46.38 3.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.543 0.737 . . . . 73.41 111.323 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.44 -174.26 41.07 Favored Glycine 0 C--N 1.342 0.888 0 C-N-CA 120.266 -0.969 . . . . 72.15 113.965 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -155.93 109.89 2.79 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 106.345 -1.724 . . . . 71.34 106.345 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -138.0 123.71 19.86 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.077 -0.712 . . . . 71.44 109.077 -174.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 60.83 30.72 19.84 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.677 1.191 . . . . 62.45 111.107 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.1 2.86 85.6 Favored Glycine 0 C--N 1.347 1.194 0 CA-C-N 115.868 -0.606 . . . . 75.41 113.796 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.2 mm -104.36 116.81 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.324 0.65 . . . . 72.44 110.062 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.592 ' HB ' HG22 ' A' ' 88' ' ' VAL . 46.1 t -82.42 111.89 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 123.566 0.746 . . . . 61.05 109.6 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -87.15 120.81 28.82 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.143 0.577 . . . . 63.52 109.453 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.6 mt -126.77 136.72 52.78 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.25 0.62 . . . . 64.03 110.753 -177.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 79.5 tttt -87.25 110.26 20.06 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.437 -0.949 . . . . 65.22 108.437 172.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.6 mt -90.73 146.45 23.98 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.646 -0.872 . . . . 65.0 108.646 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.41 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 76.1 mm-40 -95.38 176.59 6.14 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.268 0.627 . . . . 62.43 111.104 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.41 166.41 20.88 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.42 -0.655 . . . . 33.44 112.116 172.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.5 t 76.31 -55.84 0.58 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.302 1.441 . . . . 61.35 110.318 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.533 ' HB2' HD22 ' A' ' 70' ' ' LEU . 27.8 p -74.66 -5.29 42.24 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 112.593 0.59 . . . . 74.43 112.593 177.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.487 ' HA ' HG12 ' A' ' 67' ' ' ILE . 21.6 p -109.52 8.58 25.22 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.767 0.827 . . . . 70.01 111.862 175.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -69.73 103.77 2.24 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 119.278 -0.392 . . . . 62.24 110.986 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 73.6 m 74.72 145.84 0.11 Allowed Pre-proline 0 N--CA 1.488 1.464 0 C-N-CA 125.206 1.403 . . . . 74.24 111.317 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -58.54 -41.29 66.12 Favored 'Trans proline' 0 C--N 1.384 2.423 0 C-N-CA 123.08 2.52 . . . . 72.15 112.799 -173.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -54.93 -40.23 69.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.689 0.796 . . . . 74.14 112.109 -177.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.5 m -67.8 -40.4 83.9 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 123.544 0.527 . . . . 65.24 111.268 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.487 HG12 ' HA ' ' A' ' 61' ' ' THR . 45.7 mt -64.44 -41.33 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 122.977 0.511 . . . . 64.3 110.202 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.13 -49.99 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.882 0.873 . . . . 63.45 109.985 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.0 m -62.63 -40.32 96.6 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.542 0.737 . . . . 62.13 111.261 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.533 HD22 ' HB2' ' A' ' 60' ' ' CYS . 62.2 tp -66.31 -58.71 4.75 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.494 0.497 . . . . 65.04 109.964 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -56.14 -40.21 73.46 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.626 1.17 . . . . 54.31 111.52 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -73.71 -34.51 64.85 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.366 0.666 . . . . 61.12 111.732 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.01 -45.88 94.68 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 111.184 -0.766 . . . . 73.14 111.184 174.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.4 mt -63.7 -43.53 98.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.827 0.851 . . . . 61.44 109.918 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -58.68 -57.8 11.41 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.265 0.978 . . . . 65.23 110.554 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -63.97 -30.53 71.6 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.479 0.711 . . . . 75.33 111.585 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -67.12 -46.56 73.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 109.973 -0.38 . . . . 73.14 109.973 174.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.511 HD13 HG21 ' A' ' 52' ' ' VAL . 89.7 mt -68.9 -26.82 65.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.621 0.769 . . . . 72.44 111.671 178.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.4 mt-30 -80.52 -26.27 38.22 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.621 0.768 . . . . 71.41 110.467 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -66.86 -33.83 76.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.17 0.988 . . . . 74.11 110.482 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -94.95 -40.07 9.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.21 0.604 . . . . 73.2 111.324 177.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.545 HD11 ' HG3' ' A' ' 22' ' ' MET . 37.6 mt -127.04 115.14 21.93 Favored Pre-proline 0 N--CA 1.483 1.21 0 C-N-CA 123.345 0.658 . . . . 74.04 110.384 -170.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.85 -8.75 20.54 Favored 'Trans proline' 0 C--N 1.374 1.89 0 C-N-CA 122.764 2.309 . . . . 72.1 112.613 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' H ' HG22 ' A' ' 82' ' ' ILE . 16.1 mm-40 -76.86 -25.24 52.9 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.096 0.558 . . . . 71.55 111.32 179.235 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.449 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 84.6 t -72.03 97.78 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 N-CA-C 109.552 -0.536 . . . . 74.04 109.552 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -73.39 -28.86 62.24 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.517 0.727 . . . . 71.42 111.108 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -173.19 -177.2 42.26 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 121.514 -0.374 . . . . 51.2 113.489 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.592 HG22 ' HB ' ' A' ' 52' ' ' VAL . 77.8 t -132.52 139.73 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.991 1.317 . . . . 63.4 107.615 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -124.84 146.69 49.15 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 122.87 0.468 . . . . 70.54 110.297 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -84.75 127.21 34.0 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.482 -0.781 . . . . 72.14 109.016 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 24.0 m -131.62 163.81 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.151 0.981 . . . . 73.34 108.553 170.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 76.7 mtp -129.99 140.5 50.88 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 108.37 -0.974 . . . . 75.4 108.37 174.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.65 148.08 31.7 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.471 0.708 . . . . 73.24 111.101 -168.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -176.88 -82.03 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 106.794 -1.558 . . . . 51.42 106.794 171.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -103.3 -26.24 13.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.849 0.86 . . . . 61.32 109.254 163.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -70.45 109.81 5.0 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.314 -0.857 . . . . 74.21 110.332 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.55 0.951 0 O-C-N 123.823 0.702 . . . . 65.2 110.028 -177.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.524 -0.176 . . . . 74.34 110.524 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.92 35.71 4.16 Favored Glycine 0 C--N 1.352 1.421 0 N-CA-C 114.225 0.45 . . . . 42.21 114.225 -170.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -126.37 82.18 2.06 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.065 0.946 . . . . 63.42 108.788 171.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -79.4 89.96 5.01 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.77 -0.65 . . . . 63.15 110.693 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -64.52 104.88 0.85 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.976 -1.011 . . . . 74.43 111.097 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 72.08 -61.57 0.49 Allowed 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 126.033 1.733 . . . . 72.02 111.492 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -44.01 116.39 0.99 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 125.558 1.543 . . . . 74.12 111.699 173.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -96.38 114.25 25.91 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.14 -1.059 . . . . 53.14 108.14 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.8 p -69.55 94.98 0.8 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.48 0.712 . . . . 74.32 111.075 -174.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -140.5 69.11 1.35 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.479 0.712 . . . . 70.44 110.785 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 73.1 mtm -77.97 157.7 29.6 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.987 -0.552 . . . . 74.15 110.13 175.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.21 59.09 4.82 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 116.361 -0.381 . . . . 74.4 112.526 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.514 ' HB3' ' HB2' ' A' ' 16' ' ' ASP . 64.7 m -152.55 109.81 3.54 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.11 0.964 . . . . 64.51 109.476 -174.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.12 -47.75 48.86 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.802 -0.814 . . . . 45.3 108.802 171.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -158.25 79.26 0.82 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.329 -1.305 . . . . 71.31 109.065 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.514 ' HB2' ' HB3' ' A' ' 13' ' ' SER . 30.2 t70 -69.9 161.7 29.44 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.073 -0.967 . . . . 51.34 111.342 -175.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -70.77 -3.9 21.13 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.945 0.898 . . . . 74.5 111.753 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.11 -35.44 92.08 Favored Glycine 0 C--N 1.349 1.301 0 N-CA-C 112.039 -0.424 . . . . 71.4 112.039 169.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.483 HG13 HG21 ' A' ' 82' ' ' ILE . 76.6 t -56.26 -54.61 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.725 0.81 . . . . 75.34 109.494 170.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -55.88 -42.42 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.358 1.463 . . . . 74.11 111.693 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.48 80.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.262 1.025 . . . . 65.15 111.3 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.4 ptm -76.99 -23.02 52.28 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 118.99 -0.528 . . . . 73.33 111.723 -177.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 19' ' ' VAL . 87.0 mt -62.95 -49.43 83.6 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 N-CA-C 108.31 -0.996 . . . . 72.15 108.31 171.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -52.29 -43.43 64.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.647 0.779 . . . . 61.2 111.553 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.91 -51.87 62.52 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.756 0.66 . . . . 74.33 110.295 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.56 -32.58 70.48 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.827 0.851 . . . . 73.14 111.424 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 92.6 mt -71.28 -56.52 5.87 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.114 -0.699 . . . . 73.52 109.114 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 24.7 t70 -61.66 -29.57 70.16 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.389 1.076 . . . . 75.42 112.727 -169.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.8 p -100.21 -24.9 14.44 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 112.687 0.625 . . . . 64.41 112.687 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -118.0 -57.03 2.13 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 122.581 0.353 . . . . 73.23 111.55 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.5 mm -77.99 -60.13 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.142 0.577 . . . . 61.03 111.086 -169.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 75.6 mtp180 -47.98 -51.77 45.25 Favored Pre-proline 0 CA--C 1.561 1.392 0 CA-C-O 116.874 -1.536 . . . . 71.34 112.125 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -54.63 -38.9 90.85 Favored 'Trans proline' 0 C--N 1.405 3.533 0 C-N-CA 122.557 2.171 . . . . 64.23 113.074 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.8 m -63.77 -46.39 85.47 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.311 0.644 . . . . 73.41 110.861 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 31' ' ' ILE . 6.0 t -70.03 -32.23 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 115.581 -0.736 . . . . 62.54 110.563 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -73.47 -31.17 63.62 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.363 0.665 . . . . 61.22 110.716 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -69.41 -33.52 73.12 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 122.741 0.416 . . . . 64.02 110.226 171.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.76 -23.19 61.56 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.502 0.721 . . . . 73.34 110.894 173.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.09 -27.15 6.51 Favored Glycine 0 C--N 1.342 0.903 0 N-CA-C 112.504 -0.238 . . . . 75.43 112.504 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.73 -148.24 20.54 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-O 120.085 -0.286 . . . . 72.45 113.187 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -174.39 159.17 3.0 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.51 1.124 . . . . 72.52 108.717 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.438 HG13 HG21 ' A' ' 35' ' ' VAL . 26.9 m -122.65 125.98 73.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 108.591 -0.892 . . . . 71.41 108.591 176.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.606 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.4 mp -110.93 125.78 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 N-CA-C 107.41 -1.33 . . . . 71.11 107.41 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -67.05 109.07 2.85 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.88 -0.415 . . . . 74.44 109.88 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HD2' ' HB2' ' A' ' 55' ' ' LYS . 8.9 mmpt? -88.49 -50.4 6.32 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.653 0.781 . . . . 73.44 110.335 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.81 -171.41 41.21 Favored Glycine 0 C--N 1.345 1.062 0 C-N-CA 120.625 -0.797 . . . . 62.35 114.068 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -147.05 111.9 5.37 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 106.981 -1.488 . . . . 74.12 106.981 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -132.78 114.64 14.36 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.287 0.635 . . . . 74.03 109.591 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 61.3 38.69 16.24 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.493 1.117 . . . . 75.42 111.317 171.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.45 -3.84 82.06 Favored Glycine 0 C--N 1.345 1.071 0 CA-C-N 115.513 -0.767 . . . . 64.24 114.045 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.5 mm -102.96 114.21 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.397 0.679 . . . . 62.35 110.822 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.566 ' HB ' HG22 ' A' ' 88' ' ' VAL . 44.3 t -81.91 108.36 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.546 -0.909 . . . . 72.13 108.546 176.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -96.94 125.82 41.64 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.078 0.551 . . . . 74.41 109.592 -175.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.5 mt -129.47 147.55 51.3 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.586 0.754 . . . . 74.25 110.914 -173.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.606 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 85.7 tttt -88.64 110.37 20.88 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.293 1.037 . . . . 63.11 109.266 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.9 mt -87.02 135.79 33.15 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 109.35 -0.611 . . . . 73.01 109.35 177.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -95.53 174.97 6.74 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.705 0.802 . . . . 65.24 110.576 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.75 157.37 5.51 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 119.368 -0.684 . . . . 43.22 112.824 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.5 t 77.78 -66.92 0.21 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.329 1.451 . . . . 72.2 109.544 -167.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.7 p -68.9 -22.29 64.18 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.28 0.474 . . . . 64.35 112.28 -175.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.449 ' HA ' HG12 ' A' ' 67' ' ' ILE . 12.2 t -105.23 3.26 29.89 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.895 0.478 . . . . 74.31 111.926 176.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.9 t -71.84 -58.57 3.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.085 0.554 . . . . 71.14 111.166 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 74.8 m -94.2 139.01 22.36 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.066 0.546 . . . . 62.13 110.466 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -60.23 -37.33 83.75 Favored 'Trans proline' 0 C--N 1.383 2.347 0 C-N-CA 123.515 2.81 . . . . 70.32 112.987 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -68.18 -35.41 77.98 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.103 0.561 . . . . 74.13 110.504 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.3 m -63.3 -42.35 99.05 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.195 0.598 . . . . 54.34 111.219 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.449 HG12 ' HA ' ' A' ' 61' ' ' THR . 84.9 mt -58.22 -52.37 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.269 1.028 . . . . 74.25 111.135 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.76 -42.01 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 O-C-N 123.609 0.568 . . . . 61.24 111.144 -174.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 84.8 m -57.17 -45.15 83.91 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.41 0.684 . . . . 52.11 110.81 176.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 74' ' ' ILE . 43.2 tp -64.42 -53.25 51.34 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.434 -0.803 . . . . 72.23 110.076 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -55.44 -40.46 71.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.902 1.281 . . . . 74.14 111.693 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -69.63 -44.71 70.1 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.145 0.978 . . . . 74.25 111.103 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.28 -46.8 93.71 Favored Glycine 0 CA--C 1.533 1.173 0 O-C-N 123.185 0.303 . . . . 34.04 112.644 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 70' ' ' LEU . 60.3 mt -60.56 -44.55 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.215 1.006 . . . . 75.14 109.681 175.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.404 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 50.9 tt0 -55.41 -61.6 2.23 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.408 1.083 . . . . 71.3 111.283 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -60.94 -36.43 79.33 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 123.884 0.74 . . . . 51.44 112.179 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -64.36 -50.49 67.51 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.618 0.367 . . . . 73.04 110.219 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.545 ' HB3' HG21 ' A' ' 85' ' ' VAL . 86.7 mt -61.78 -39.64 92.4 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.45 0.7 . . . . 70.51 111.176 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.5 mt-30 -65.6 -34.45 78.26 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.799 0.84 . . . . 73.31 111.392 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.5 -30.72 71.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.88 0.872 . . . . 74.32 111.092 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -102.65 -27.02 12.98 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.295 0.638 . . . . 74.54 111.868 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.483 HG21 HG13 ' A' ' 19' ' ' VAL . 61.9 mt -135.89 114.29 10.95 Favored Pre-proline 0 N--CA 1.488 1.444 0 C-N-CA 123.958 0.903 . . . . 63.4 110.478 -168.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -76.81 -9.55 18.26 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.813 2.342 . . . . 73.13 113.469 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -72.38 -27.62 62.49 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.726 0.411 . . . . 72.03 111.06 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 78' ' ' LEU . 94.0 t -74.18 101.52 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 108.865 -0.791 . . . . 63.12 108.865 177.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -84.81 -24.07 28.84 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.901 -1.045 . . . . 62.53 110.15 174.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -178.55 -178.52 47.96 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 116.275 -0.42 . . . . 72.33 112.745 176.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' A' ' 52' ' ' VAL . 76.6 t -126.98 152.45 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.278 1.431 . . . . 74.32 108.029 174.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -143.73 147.7 34.6 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.071 0.548 . . . . 73.25 110.21 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -85.05 131.73 34.42 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.914 0.886 . . . . 64.24 110.396 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 4.7 m -132.62 143.66 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 106.741 -1.577 . . . . 53.14 106.741 164.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 73.9 mtm -129.34 124.5 34.45 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.05 0.54 . . . . 72.21 109.651 -176.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -83.58 68.63 9.88 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.671 0.748 . . . . 72.25 109.839 174.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -104.67 -71.93 0.72 Allowed 'General case' 0 C--O 1.24 0.586 0 N-CA-C 106.457 -1.682 . . . . 54.51 106.457 169.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 47.59 31.3 2.0 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 125.643 1.577 . . . . 75.14 112.43 172.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.0 t -101.72 46.0 0.95 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.378 1.071 . . . . 53.23 109.564 -172.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 CA--C 1.552 1.033 0 CA-C-N 115.409 -0.814 . . . . 74.1 110.561 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.433 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 5.9 p-10 . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 119.721 -0.18 . . . . 74.15 111.274 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.18 -50.91 57.22 Favored Glycine 0 C--N 1.353 1.522 0 N-CA-C 111.676 -0.57 . . . . 75.2 111.676 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.442 HG13 HG21 ' A' ' 82' ' ' ILE . 41.0 t -63.92 -51.56 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.519 0.728 . . . . 75.21 110.129 174.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.433 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 53.2 t -53.13 -46.15 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.494 1.118 . . . . 74.21 112.02 -176.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.55 81.89 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.668 0.787 . . . . 51.32 111.851 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.516 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.2 ptm -74.96 -23.07 58.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 119.295 -0.383 . . . . 73.14 110.956 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 19' ' ' VAL . 82.2 mt -66.53 -44.93 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 108.972 -0.751 . . . . 52.51 108.972 170.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -52.59 -43.39 65.28 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.957 0.785 . . . . 75.21 111.965 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.74 -40.35 55.63 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-O 119.127 -0.464 . . . . 71.11 109.878 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.89 -29.59 68.43 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.709 0.804 . . . . 71.13 111.15 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.88 -57.09 4.05 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.224 -0.658 . . . . 73.32 109.224 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -59.94 -32.43 70.78 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.645 0.778 . . . . 71.43 113.068 -169.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.7 p -90.53 -46.96 7.99 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.769 0.827 . . . . 73.14 111.416 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -98.97 -47.38 5.27 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.08 0.552 . . . . 73.41 112.388 -168.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.437 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.5 mm -88.27 -63.75 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.06 0.544 . . . . 72.05 111.773 -170.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 55.9 mtp180 -43.61 -53.41 12.17 Favored Pre-proline 0 N--CA 1.492 1.658 0 CA-C-O 117.584 -1.198 . . . . 64.33 113.242 -175.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 71.3 Cg_exo -52.1 -46.62 31.38 Favored 'Trans proline' 0 C--N 1.398 3.156 0 C-N-CA 122.337 2.025 . . . . 54.33 113.23 177.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.9 m -60.77 -47.68 85.24 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.89 0.876 . . . . 73.22 111.049 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.651 HG13 ' SG ' ' A' ' 60' ' ' CYS . 15.0 t -65.38 -38.85 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 115.489 -0.778 . . . . 74.13 110.441 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -68.28 -32.25 72.27 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.707 0.803 . . . . 73.01 111.642 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 32.8 mm-40 -65.92 -31.72 72.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.894 0.478 . . . . 73.52 110.797 174.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -80.74 -22.28 40.37 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.409 -0.36 . . . . 74.22 110.998 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.37 36.36 2.49 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 116.061 -0.518 . . . . 73.34 112.342 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.19 -153.29 6.08 Favored Glycine 0 C--N 1.339 0.697 0 N-CA-C 111.238 -0.745 . . . . 72.25 111.238 174.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.407 ' N ' ' HB2' ' A' ' 57' ' ' GLN . 30.0 t0 -175.55 163.45 2.94 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.339 1.056 . . . . 75.01 109.366 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.9 122.34 68.35 Favored 'Isoleucine or valine' 0 C--O 1.246 0.904 0 N-CA-C 108.511 -0.922 . . . . 65.43 108.511 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.464 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 2.3 mp -104.02 119.43 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 107.864 -1.161 . . . . 74.43 107.864 178.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -68.6 108.64 3.42 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 123.616 0.572 . . . . 74.3 110.479 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 10.6 mmpt? -88.48 -36.15 16.62 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.738 0.815 . . . . 74.41 110.69 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.21 -171.61 39.8 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 121.589 -0.339 . . . . 61.24 113.706 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -140.89 110.83 6.53 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 106.373 -1.714 . . . . 71.42 106.373 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.77 123.29 13.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.247 -0.649 . . . . 75.44 109.247 -171.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 t70 65.26 23.92 12.2 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.961 1.304 . . . . 74.2 111.484 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.23 6.43 81.47 Favored Glycine 0 C--N 1.347 1.16 0 CA-C-N 115.716 -0.675 . . . . 55.11 113.246 -176.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.0 mm -106.2 113.62 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 123.475 0.71 . . . . 54.2 109.549 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.578 ' HB ' HG22 ' A' ' 88' ' ' VAL . 36.5 t -79.96 105.42 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.563 -0.902 . . . . 75.14 108.563 174.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -87.66 121.66 30.37 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 108.88 -0.785 . . . . 74.42 108.88 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.7 mt -130.74 137.82 49.67 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.319 1.048 . . . . 73.42 110.075 -176.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 87.0 tttt -90.23 122.52 33.24 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.717 -0.846 . . . . 71.21 108.717 171.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.4 mt -96.34 138.03 34.53 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.686 -0.487 . . . . 73.12 109.686 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.407 ' HB2' ' N ' ' A' ' 41' ' ' ASP . 83.8 mm-40 -96.5 175.73 6.3 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.926 0.891 . . . . 73.11 110.408 175.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.426 ' HA2' HG22 ' A' ' 61' ' ' THR . . . -55.24 171.88 1.33 Allowed Glycine 0 C--N 1.351 1.367 0 N-CA-C 116.255 1.262 . . . . 70.42 116.255 -172.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 m 71.4 -63.09 0.43 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.637 1.575 . . . . 73.11 110.762 -172.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.651 ' SG ' HG13 ' A' ' 35' ' ' VAL . 63.9 m -65.11 -42.81 93.6 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.857 0.863 . . . . 45.22 111.894 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.494 ' HA ' HG12 ' A' ' 67' ' ' ILE . 6.6 t -85.26 -16.2 40.92 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.44 0.296 . . . . 65.42 111.338 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 m -71.3 -40.52 70.79 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.87 0.468 . . . . 54.53 110.959 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.6 m -97.32 121.47 58.55 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 123.245 0.618 . . . . 54.23 109.627 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -58.01 -35.97 98.38 Favored 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 123.659 2.906 . . . . 64.15 113.268 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -63.68 -43.07 97.74 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.231 0.612 . . . . 75.32 110.643 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.1 m -67.76 -29.82 69.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.968 0.907 . . . . 62.54 111.668 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.494 HG12 ' HA ' ' A' ' 61' ' ' THR . 78.0 mt -61.06 -51.13 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.028 0.531 . . . . 74.2 110.062 173.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.34 -44.45 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.868 0.73 . . . . 65.44 110.401 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.4 m -63.58 -45.4 90.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.731 0.812 . . . . 75.41 111.146 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.81 -51.13 61.52 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.561 0.538 . . . . 72.42 110.2 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.76 -44.56 77.75 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.111 0.964 . . . . 74.32 110.806 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -69.33 -38.77 78.36 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.736 0.815 . . . . 74.44 111.942 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.8 -47.61 84.67 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 111.865 -0.494 . . . . 52.24 111.865 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.41 -46.57 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.801 0.84 . . . . 65.5 109.605 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.445 ' NE2' ' HA2' ' A' ' 87' ' ' GLY . 63.5 tt0 -56.48 -55.82 28.88 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.326 1.016 . . . . 74.31 111.089 -177.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.42 HD22 ' N ' ' A' ' 76' ' ' ASN . 0.8 OUTLIER -62.62 -38.1 88.89 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.747 0.819 . . . . 62.03 111.31 -176.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.9 ttp -61.86 -49.06 77.78 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.14 0.576 . . . . 62.42 110.645 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.547 HD13 HG21 ' A' ' 52' ' ' VAL . 94.4 mt -66.25 -38.67 88.41 Favored 'General case' 0 C--O 1.212 -0.916 0 C-N-CA 123.953 0.901 . . . . 73.34 111.041 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.9 mt-30 -67.8 -30.51 69.95 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.541 0.736 . . . . 75.3 111.198 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.77 -47.88 84.33 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 123.891 0.745 . . . . 74.02 110.534 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -88.41 -30.35 19.55 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.436 0.694 . . . . 74.1 111.151 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.516 HD11 ' HG3' ' A' ' 22' ' ' MET . 46.1 mt -131.27 94.0 28.26 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.401 1.08 . . . . 72.13 108.965 -169.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.08 -3.41 12.81 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 122.509 2.139 . . . . 75.32 112.986 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -69.9 -28.88 65.99 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.997 0.919 . . . . 74.34 110.059 173.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 78' ' ' LEU . 69.4 t -70.83 106.23 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 108.964 -0.754 . . . . 71.25 108.964 174.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -92.0 -33.52 14.8 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.388 0.675 . . . . 64.22 109.737 172.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.445 ' HA2' ' NE2' ' A' ' 75' ' ' GLN . . . -151.47 167.97 30.9 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.797 -0.638 . . . . 71.12 113.122 -177.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.578 HG22 ' HB ' ' A' ' 52' ' ' VAL . 61.4 t -132.81 136.74 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 106.908 -1.516 . . . . 53.53 106.908 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -125.3 131.58 53.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.112 0.565 . . . . 61.54 110.184 -171.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -84.29 108.66 17.27 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.288 -1.004 . . . . 75.21 108.288 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 CA--C 1.537 0.467 0 C-N-CA 124.028 0.931 . . . . 65.43 109.176 176.472 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 112.077 0.399 . . . . 71.41 112.077 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.38 -45.43 93.34 Favored Glycine 0 C--N 1.357 1.728 0 N-CA-C 112.003 -0.439 . . . . 63.33 112.003 174.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 23' ' ' ILE . 59.4 t -64.49 -52.49 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.518 0.727 . . . . 60.35 110.158 175.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.93 -43.41 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.287 1.035 . . . . 72.43 111.58 -174.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -44.02 78.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.598 0.759 . . . . 64.11 111.367 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.431 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.8 ptm -70.48 -30.1 66.81 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 119.071 -0.49 . . . . 70.55 110.742 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 19' ' ' VAL . 72.7 mt -63.4 -48.05 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 109.136 -0.69 . . . . 72.52 109.136 172.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -53.26 -47.9 68.71 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 123.927 0.767 . . . . 73.32 111.297 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.62 -41.39 65.6 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 123.77 0.669 . . . . 62.43 110.705 -174.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 22' ' ' MET . 83.9 mt -60.06 -36.28 76.99 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.946 0.499 . . . . 74.13 110.634 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.7 mt -71.3 -52.02 21.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.813 -0.63 . . . . 63.41 109.753 174.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.36 -24.54 66.52 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.534 0.734 . . . . 54.31 112.806 -169.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.3 p -96.59 -40.8 8.85 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.387 0.675 . . . . 71.43 111.794 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HD2' ' SD ' ' A' ' 77' ' ' MET . 40.8 mtt180 -98.5 -54.5 3.02 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.843 0.457 . . . . 72.4 111.648 -172.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -86.29 -60.19 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 116.129 -0.487 . . . . 71.41 110.929 -166.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 71.1 mtp180 -47.1 -52.35 34.89 Favored Pre-proline 0 N--CA 1.488 1.432 0 CA-C-O 117.175 -1.393 . . . . 61.44 112.5 -176.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 52.6 Cg_exo -55.49 -43.37 58.75 Favored 'Trans proline' 0 C--N 1.408 3.669 0 C-N-CA 122.458 2.106 . . . . 72.13 112.635 178.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.0 m -59.66 -47.94 83.63 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.055 0.942 . . . . 72.12 110.938 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.731 HG13 ' SG ' ' A' ' 60' ' ' CYS . 24.4 t -71.59 -33.52 49.46 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 CA-C-N 114.965 -1.016 . . . . 73.03 110.224 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -66.54 -38.61 87.5 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.8 0.84 . . . . 73.21 110.755 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -69.68 -28.69 66.07 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.138 0.575 . . . . 74.43 110.495 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -77.6 -22.13 51.29 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.712 0.805 . . . . 74.52 110.828 176.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.67 8.78 22.22 Favored Glycine 0 N--CA 1.476 1.364 0 CA-C-O 120.065 -0.297 . . . . 60.15 113.721 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.14 -145.09 7.34 Favored Glycine 0 N--CA 1.47 0.941 0 CA-C-O 119.682 -0.51 . . . . 65.31 112.105 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -179.29 161.03 1.06 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.466 1.507 . . . . 74.14 108.956 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.2 m -124.57 118.5 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 108.238 -1.023 . . . . 64.2 108.238 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -106.25 120.55 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 108.261 -1.014 . . . . 72.44 108.261 -176.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -66.46 109.77 2.87 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.503 -0.554 . . . . 73.44 109.503 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 10.6 mmpt? -90.07 -38.36 13.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.296 0.639 . . . . 72.1 110.23 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 170.96 -171.42 43.86 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 121.101 -0.571 . . . . 75.32 113.675 177.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -144.68 111.09 5.6 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 106.502 -1.666 . . . . 55.1 106.502 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -124.86 133.51 53.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.249 -1.019 . . . . 75.44 108.249 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 67.67 -81.65 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 125.009 1.324 . . . . 73.21 109.817 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.89 15.79 0.36 Allowed Glycine 0 C--N 1.343 0.939 0 C-N-CA 123.814 0.721 . . . . 53.42 111.304 175.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.6 mm -108.19 116.01 50.47 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 C-N-CA 124.028 0.931 . . . . 70.24 108.774 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.549 ' HB ' HG22 ' A' ' 88' ' ' VAL . 46.9 t -78.73 103.59 5.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 N-CA-C 108.012 -1.107 . . . . 75.21 108.012 175.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -88.6 114.71 25.5 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 115.44 -0.8 . . . . 73.11 109.674 -174.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.0 mt -121.74 139.26 53.81 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.23 1.012 . . . . 73.12 110.618 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.554 ' HE2' ' NE2' ' A' ' 57' ' ' GLN . 83.4 tttt -88.6 114.42 25.2 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.173 0.989 . . . . 72.23 108.49 173.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.613 HD13 HD23 ' A' ' 70' ' ' LEU . 25.0 mt -95.92 134.63 38.68 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.085 -0.709 . . . . 73.13 109.085 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.554 ' NE2' ' HE2' ' A' ' 55' ' ' LYS . 81.6 mm-40 -95.23 174.43 7.06 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.699 0.8 . . . . 64.31 110.218 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.48 174.33 3.91 Favored Glycine 0 C--N 1.361 1.929 0 O-C-N 124.329 1.018 . . . . 53.24 113.945 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.0 t 76.76 -55.11 0.57 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.418 1.487 . . . . 64.44 111.048 -176.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.731 ' SG ' HG13 ' A' ' 35' ' ' VAL . 85.8 m -78.79 -27.87 44.57 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.376 0.671 . . . . 74.21 111.464 176.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.2 p -77.7 -18.31 56.75 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.704 0.402 . . . . 74.4 111.662 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.9 m -60.84 119.11 7.58 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.353 0.661 . . . . 53.14 109.873 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.4 m 68.45 121.6 0.03 OUTLIER Pre-proline 0 CA--C 1.56 1.364 0 C-N-CA 125.327 1.451 . . . . 73.44 111.103 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.467 ' HA ' HD12 ' A' ' 67' ' ' ILE . 85.7 Cg_exo -50.57 -26.41 16.75 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 123.811 3.007 . . . . 51.24 114.329 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.3 t -56.71 -47.66 79.45 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.24 1.016 . . . . 64.13 110.851 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.0 m -72.11 -28.39 63.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.232 0.613 . . . . 74.23 111.962 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 64' ' ' PRO . 66.4 mt -65.37 -43.21 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.416 0.686 . . . . 73.05 110.395 173.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.09 -45.81 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.638 0.775 . . . . 63.41 109.7 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.4 m -63.39 -40.8 98.2 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.781 0.832 . . . . 72.15 111.375 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.613 HD23 HD13 ' A' ' 56' ' ' LEU . 28.9 tp -67.37 -48.23 68.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 122.943 0.497 . . . . 65.41 109.997 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -55.09 -46.74 75.5 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.865 0.866 . . . . 74.11 110.869 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -68.47 -48.76 63.66 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.732 1.27 . . . . 74.1 111.161 -168.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.31 -46.63 90.17 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 123.824 0.703 . . . . 54.31 112.509 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.72 -43.44 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.902 0.881 . . . . 74.55 110.526 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.14 -50.72 69.32 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.333 -0.849 . . . . 61.11 110.438 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -59.0 -36.73 75.42 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.018 0.824 . . . . 54.13 111.242 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.434 ' SD ' ' HD2' ' A' ' 30' ' ' ARG . 54.6 ttp -64.41 -57.3 9.67 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.261 0.624 . . . . 73.44 110.218 178.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 85' ' ' VAL . 97.2 mt -66.63 -28.25 68.34 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.743 0.817 . . . . 72.41 112.069 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.3 mt-30 -75.76 -35.41 60.17 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.015 0.526 . . . . 74.35 110.664 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -62.34 -49.33 76.0 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.752 0.821 . . . . 74.32 109.737 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -79.85 -36.39 36.79 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.628 -0.714 . . . . 73.33 111.985 -178.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.44 HG22 ' H ' ' A' ' 84' ' ' GLU . 19.4 mt -126.98 115.31 22.04 Favored Pre-proline 0 N--CA 1.488 1.44 0 C-N-CA 123.447 0.699 . . . . 75.11 110.667 -169.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.17 -9.79 26.13 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 123.041 2.494 . . . . 75.32 113.679 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.44 ' H ' HG22 ' A' ' 82' ' ' ILE . 8.8 mm-40 -76.38 -28.52 56.78 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.27 0.628 . . . . 75.23 110.779 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 78' ' ' LEU . 98.3 t -73.99 99.86 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 123.372 0.669 . . . . 34.35 110.179 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -77.83 -33.38 52.35 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.663 0.785 . . . . 62.34 110.015 173.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.93 179.51 40.66 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 116.233 -0.44 . . . . 65.52 112.938 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.549 HG22 ' HB ' ' A' ' 52' ' ' VAL . 52.7 t -133.53 135.99 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.613 1.165 . . . . 71.45 108.375 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -122.26 154.17 37.91 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.122 0.569 . . . . 54.24 110.578 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -94.93 108.25 20.29 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.334 -0.987 . . . . 62.24 108.334 167.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.446 HG23 ' HG3' ' A' ' 45' ' ' LYS . 3.7 m . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 108.261 -1.015 . . . . 74.13 108.261 169.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.335 0.112 . . . . 64.21 111.286 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.71 -34.5 66.67 Favored Glycine 0 C--N 1.349 1.281 0 N-CA-C 111.828 -0.509 . . . . 74.21 111.828 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 23' ' ' ILE . 47.4 t -64.78 -47.53 88.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 C-N-CA 123.105 0.562 . . . . 72.05 109.631 173.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 68.8 t -52.59 -46.78 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.296 1.039 . . . . 71.5 110.54 175.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.69 91.77 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 124.347 1.029 . . . . 51.31 111.892 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.88 -28.46 61.57 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 119.326 -0.369 . . . . 65.14 111.56 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 19' ' ' VAL . 83.7 mt -63.43 -42.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 N-CA-C 109.027 -0.731 . . . . 73.34 109.027 173.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 98.9 mttt -52.91 -45.68 67.7 Favored 'General case' 0 C--N 1.36 1.038 0 O-C-N 124.169 0.918 . . . . 71.35 111.185 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.98 -41.05 37.29 Favored 'General case' 0 C--O 1.212 -0.921 0 O-C-N 123.639 0.587 . . . . 72.21 110.637 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.39 -29.14 65.82 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 118.32 0.509 . . . . 74.43 110.967 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.5 mt -78.54 -58.22 3.36 Favored 'General case' 0 C--O 1.218 -0.59 0 C-N-CA 123.11 0.564 . . . . 73.03 109.636 171.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.3 -31.4 72.0 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.162 0.801 . . . . 71.31 113.162 -167.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.6 p -91.71 -41.35 10.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.683 0.793 . . . . 64.1 111.382 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -100.71 -55.08 2.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.818 0.447 . . . . 74.44 111.263 -171.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.5 mm -84.48 -56.63 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.011 0.524 . . . . 63.21 111.673 -166.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -48.62 -51.39 53.19 Favored Pre-proline 0 N--CA 1.484 1.257 0 CA-C-O 117.416 -1.278 . . . . 71.3 112.282 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 75.5 Cg_exo -52.16 -43.35 53.8 Favored 'Trans proline' 0 C--N 1.409 3.721 0 C-N-CA 122.44 2.094 . . . . 74.23 112.324 176.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -62.84 -48.78 77.59 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.348 1.059 . . . . 73.13 111.512 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 31' ' ' ILE . 8.7 t -69.79 -31.49 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 115.872 -0.604 . . . . 72.14 110.588 -176.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -70.35 -29.71 66.46 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.621 0.768 . . . . 73.2 111.187 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 28.1 mm-40 -68.97 -33.33 73.52 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 121.156 0.503 . . . . 75.54 109.916 171.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -79.97 -19.05 48.81 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.625 -0.716 . . . . 75.41 110.916 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.29 -32.04 4.26 Favored Glycine 0 C--N 1.351 1.414 0 C-N-CA 123.298 0.475 . . . . 52.52 113.274 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.91 -150.17 26.08 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 119.971 -0.35 . . . . 73.35 112.96 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -170.4 158.93 6.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.851 0.86 . . . . 63.0 109.908 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.416 HG13 HG21 ' A' ' 35' ' ' VAL . 34.2 m -117.66 120.35 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 108.318 -0.993 . . . . 62.43 108.318 174.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.3 mp -110.05 120.76 61.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 108.032 -1.099 . . . . 70.52 108.032 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -68.54 122.42 18.43 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.857 -0.423 . . . . 74.04 109.857 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -111.55 -36.74 5.42 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.365 0.666 . . . . 73.11 112.113 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.03 178.33 48.21 Favored Glycine 0 C--N 1.34 0.761 0 C-N-CA 120.672 -0.775 . . . . 72.51 113.762 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -152.87 109.81 3.48 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 106.67 -1.604 . . . . 74.32 106.67 175.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -151.93 133.41 14.62 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 123.694 0.797 . . . . 63.03 110.099 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 67.95 19.44 9.41 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.743 1.217 . . . . 74.44 111.068 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.78 90.13 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 116.55 -0.295 . . . . 53.22 112.949 -173.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -101.74 111.07 30.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 C-N-CA 123.529 0.732 . . . . 70.41 109.623 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.539 ' HB ' HG22 ' A' ' 88' ' ' VAL . 14.5 t -79.63 107.65 12.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 N-CA-C 107.939 -1.134 . . . . 74.03 107.939 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -90.13 111.74 22.98 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 109.472 -0.566 . . . . 74.31 109.472 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.83 137.19 54.87 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.232 1.013 . . . . 74.2 110.361 -175.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 87.9 tttt -88.31 132.41 34.42 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.009 -0.737 . . . . 52.5 109.009 174.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.456 HD12 HG23 ' A' ' 67' ' ' ILE . 47.9 mt -105.73 143.77 33.41 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 108.968 -0.752 . . . . 71.55 108.968 176.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -98.04 172.78 7.4 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.359 0.664 . . . . 75.43 112.167 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.18 164.32 6.41 Favored Glycine 0 C--N 1.361 1.919 0 CA-C-N 114.598 -1.183 . . . . 74.14 113.652 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m 76.93 -49.82 0.55 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 125.248 1.419 . . . . 62.13 110.535 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.4 t -71.46 -42.01 68.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.481 0.713 . . . . 55.34 110.15 172.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.1 p -76.9 -21.03 55.51 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.915 -0.584 . . . . 45.44 112.067 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -59.93 -39.63 86.15 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.488 0.715 . . . . 72.3 111.439 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 p -110.12 122.88 37.54 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 123.298 0.639 . . . . 64.34 109.527 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.46 -28.62 26.47 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 123.182 2.588 . . . . 65.1 113.992 -168.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.5 m -69.72 -35.81 75.34 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.452 0.301 . . . . 52.02 110.591 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.3 t -64.5 -36.5 84.39 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.752 0.821 . . . . 73.11 111.191 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.456 HG23 HD12 ' A' ' 56' ' ' LEU . 67.6 mt -55.98 -52.62 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.803 0.841 . . . . 44.12 110.466 175.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -71.32 -46.41 65.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 114.51 -1.223 . . . . 65.11 110.879 -173.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 m -60.48 -43.22 97.19 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.754 0.821 . . . . 71.35 111.018 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.1 tp -63.87 -53.79 45.08 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 123.826 0.704 . . . . 62.43 109.929 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.82 -36.88 72.85 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 124.297 0.998 . . . . 51.31 111.153 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -71.48 -41.75 68.96 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.426 0.691 . . . . 73.31 110.997 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.01 -44.22 98.09 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 111.806 -0.518 . . . . 41.42 111.806 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.17 -42.08 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 124.42 1.088 . . . . 55.41 109.999 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.43 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 32.6 tt0 -59.45 -52.71 64.43 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 123.86 0.864 . . . . 60.14 110.118 -177.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -64.7 -32.58 74.32 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 124.238 0.961 . . . . 62.45 110.781 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 47.8 ttp -66.27 -50.96 61.92 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.375 0.67 . . . . 75.45 110.799 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 85' ' ' VAL . 90.4 mt -69.39 -30.42 68.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.569 0.748 . . . . 73.43 111.446 -176.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 47.4 mt-30 -77.65 -24.99 49.31 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.843 0.457 . . . . 74.11 110.928 175.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -73.21 -45.67 54.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.189 0.995 . . . . 73.33 110.326 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -81.76 -44.6 16.79 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.926 0.393 . . . . 71.31 111.424 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.4 HG22 ' H ' ' A' ' 84' ' ' GLU . 41.1 mt -113.19 121.42 38.05 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.712 0.805 . . . . 73.15 110.283 -169.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -67.43 -26.15 41.11 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.966 2.444 . . . . 64.52 113.195 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' H ' HG22 ' A' ' 82' ' ' ILE . 27.2 mm-40 -68.74 -31.48 70.57 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.284 0.633 . . . . 73.21 112.19 -174.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 78' ' ' LEU . 70.7 t -69.69 103.96 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.207 0.527 . . . . 74.3 109.73 178.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.93 -21.13 21.51 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.436 1.094 . . . . 73.12 110.942 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.87 176.67 44.93 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 115.832 -0.622 . . . . 42.44 112.103 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.539 HG22 ' HB ' ' A' ' 52' ' ' VAL . 76.7 t -141.04 138.36 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 107.45 -1.315 . . . . 63.43 107.45 178.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -129.84 146.92 51.56 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.315 0.646 . . . . 63.41 109.787 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -84.24 115.58 22.52 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.198 -1.038 . . . . 75.42 108.198 172.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 CA--C 1.535 0.404 0 C-N-CA 123.414 0.686 . . . . 71.35 109.393 175.126 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.495 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 7.3 p-10 . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 112.846 0.684 . . . . 72.12 112.846 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.08 -49.18 63.53 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 111.703 -0.559 . . . . 71.45 111.703 173.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 23' ' ' ILE . 47.2 t -63.47 -48.02 88.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.636 0.774 . . . . 60.15 109.996 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.495 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 49.9 t -55.71 -43.02 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 125.261 1.424 . . . . 73.12 111.738 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.28 84.51 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.657 0.783 . . . . 62.03 112.008 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.2 ptm -73.57 -26.62 60.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.356 -0.384 . . . . 65.11 111.27 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 19' ' ' VAL . 70.0 mt -64.74 -49.24 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 108.829 -0.804 . . . . 62.33 108.829 172.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -50.88 -46.05 60.3 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.126 0.97 . . . . 64.05 112.056 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.17 -42.41 65.91 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 123.543 0.527 . . . . 55.33 110.298 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -64.61 -26.55 68.45 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.192 0.597 . . . . 72.55 111.162 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 76.4 mt -74.94 -54.26 7.54 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.549 -0.537 . . . . 71.04 109.549 171.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.99 -22.51 64.09 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.57 -0.741 . . . . 74.54 112.079 -169.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.2 p -91.26 -39.05 12.29 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.803 0.841 . . . . 75.04 111.059 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 59.1 mtp180 -109.9 -60.83 1.74 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.824 0.45 . . . . 72.43 112.205 -171.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.7 mm -74.93 -60.81 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 119.066 -0.492 . . . . 73.25 111.163 -165.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 75.1 mtp180 -47.18 -51.52 40.98 Favored Pre-proline 0 C--N 1.367 1.336 0 CA-C-O 117.292 -1.337 . . . . 73.32 111.852 -178.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 99.7 Cg_exo -49.18 -47.04 23.39 Favored 'Trans proline' 0 C--N 1.404 3.459 0 C-N-CA 122.873 2.382 . . . . 72.11 113.818 175.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 m -63.84 -46.19 86.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.741 0.816 . . . . 71.11 111.125 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.758 HG13 ' SG ' ' A' ' 60' ' ' CYS . 40.5 t -69.77 -33.78 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 123.937 0.895 . . . . 64.25 110.819 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 70.5 mt-30 -64.49 -40.94 96.62 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.863 0.865 . . . . 72.22 110.755 176.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.59 -32.4 72.27 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.823 0.702 . . . . 74.01 111.209 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.61 -23.31 61.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.041 0.536 . . . . 62.51 110.395 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.44 -20.85 5.79 Favored Glycine 0 C--N 1.342 0.882 0 CA-C-N 116.354 -0.384 . . . . 53.32 113.052 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -98.24 -141.68 12.51 Favored Glycine 0 C--N 1.342 0.864 0 CA-C-O 120.079 -0.289 . . . . 33.22 113.487 -178.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -178.73 159.93 1.13 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.773 1.629 . . . . 51.14 108.194 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.74 112.58 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 108.944 -0.762 . . . . 71.51 108.944 175.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.526 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.3 mp -97.54 117.6 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 107.988 -1.116 . . . . 74.41 107.988 -178.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -67.46 112.1 4.46 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.854 0.462 . . . . 72.41 110.059 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -97.6 -32.77 11.62 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.153 0.981 . . . . 71.13 111.471 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.26 -170.48 42.59 Favored Glycine 0 C--N 1.343 0.928 0 C-N-CA 120.767 -0.73 . . . . 74.41 113.796 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -153.43 108.58 3.19 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.949 -1.13 . . . . 72.03 107.949 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -135.28 125.06 25.41 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 108.672 -0.862 . . . . 75.44 108.672 -171.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.4 t70 66.86 24.66 9.71 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.623 1.169 . . . . 74.21 111.029 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.7 11.47 83.95 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 115.716 -0.674 . . . . 31.34 113.031 -175.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.5 mm -108.72 116.62 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 123.547 0.739 . . . . 72.52 109.544 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.464 ' HB ' HG22 ' A' ' 88' ' ' VAL . 16.4 t -80.08 107.84 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.777 0.831 . . . . 74.12 109.463 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -82.69 113.78 20.6 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 109.341 -0.615 . . . . 62.23 109.341 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.9 mt -126.72 140.32 52.48 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.388 1.075 . . . . 61.23 109.787 -177.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.526 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 42.2 tttm -93.36 113.15 25.25 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.651 -0.87 . . . . 74.43 108.651 176.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.574 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 18.8 mt -89.18 135.06 33.78 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.367 -0.975 . . . . 53.41 108.367 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -94.22 177.4 5.97 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.126 0.97 . . . . 74.43 109.526 175.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.8 168.07 1.49 Allowed Glycine 0 C--N 1.356 1.652 0 O-C-N 123.726 0.641 . . . . 73.44 114.513 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.6 m 76.53 -53.13 0.59 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.756 1.622 . . . . 72.44 111.398 -172.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.758 ' SG ' HG13 ' A' ' 35' ' ' VAL . 70.1 m -75.01 -30.88 61.26 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.76 0.824 . . . . 73.23 111.684 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.8 p -78.85 -10.19 59.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.239 0.616 . . . . 55.25 111.959 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 m -66.94 108.91 2.75 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 123.23 0.612 . . . . 75.4 109.865 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 84.2 m 72.97 139.05 0.06 OUTLIER Pre-proline 0 CA--C 1.56 1.361 0 C-N-CA 125.048 1.339 . . . . 73.21 111.469 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -56.6 -35.43 97.16 Favored 'Trans proline' 0 C--N 1.386 2.52 0 C-N-CA 123.177 2.585 . . . . 75.21 113.053 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -60.98 -38.45 86.03 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.224 0.61 . . . . 64.33 112.336 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 m -68.51 -39.74 81.11 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.874 0.47 . . . . 71.14 110.905 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.4 mt -58.32 -47.47 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.149 0.98 . . . . 72.35 110.619 173.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.5 -43.99 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.968 0.907 . . . . 75.12 110.666 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.8 m -64.44 -46.67 82.16 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.25 0.62 . . . . 75.54 111.189 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.423 HD23 HD13 ' A' ' 56' ' ' LEU . 45.2 tp -62.86 -52.0 64.83 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.896 0.747 . . . . 72.12 109.996 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HG2' ' HB ' ' A' ' 88' ' ' VAL . 1.1 tmmt? -54.66 -42.09 70.92 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.878 1.271 . . . . 64.34 111.593 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -71.48 -38.44 71.23 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.462 0.705 . . . . 75.42 111.646 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.63 -49.65 67.56 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 111.962 -0.455 . . . . 54.2 111.962 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.6 mt -58.31 -48.9 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.585 1.154 . . . . 74.05 110.22 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -55.19 -60.52 3.27 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.56 1.163 . . . . 73.45 111.209 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.436 ' N ' HD22 ' A' ' 76' ' ' ASN . 0.8 OUTLIER -64.31 -33.9 76.9 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.176 0.923 . . . . 73.5 111.5 -173.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.468 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 38.5 ttp -62.8 -55.36 27.08 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.791 0.682 . . . . 51.23 109.75 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.478 ' HB3' HG21 ' A' ' 85' ' ' VAL . 95.2 mt -60.4 -35.93 76.9 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.674 0.789 . . . . 73.44 111.443 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 97.5 mt-30 -64.28 -29.57 70.66 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.775 0.83 . . . . 72.14 112.114 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -66.51 -35.93 81.46 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.505 0.722 . . . . 75.31 110.682 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -94.96 -29.21 14.76 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.171 0.588 . . . . 61.53 111.244 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.1 mt -131.54 115.53 15.98 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 124.083 0.953 . . . . 63.14 109.874 -166.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.88 -23.96 34.4 Favored 'Trans proline' 0 C--N 1.369 1.654 0 C-N-CA 123.182 2.588 . . . . 61.31 113.01 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -63.07 -38.93 93.13 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 74.41 112.111 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.478 HG21 ' HB3' ' A' ' 78' ' ' LEU . 78.4 t -64.72 98.6 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-O 121.512 0.672 . . . . 62.34 110.867 -177.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -80.28 -39.44 28.84 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.958 -1.019 . . . . 70.32 110.302 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -160.42 -177.66 33.71 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.073 -0.512 . . . . 43.13 112.941 -175.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.464 HG22 ' HB ' ' A' ' 52' ' ' VAL . 73.2 t -135.05 132.44 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.835 1.254 . . . . 73.43 107.67 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -114.54 135.75 53.78 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.422 1.089 . . . . 72.02 109.175 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.574 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 47.5 tt0 -86.26 132.62 33.95 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 109.339 -0.615 . . . . 63.2 109.339 171.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 11.8 m . . . . . 0 CA--C 1.538 0.503 0 C-N-CA 124.903 1.281 . . . . 70.43 108.109 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 119.437 -0.316 . . . . 70.34 111.413 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.9 -49.22 64.15 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.746 0.654 . . . . 72.4 112.077 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 23' ' ' ILE . 84.7 t -60.55 -49.35 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.617 0.767 . . . . 75.22 109.936 175.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.506 HG12 ' HE3' ' A' ' 24' ' ' LYS . 74.8 t -55.5 -45.65 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.411 1.085 . . . . 73.43 111.471 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.76 -40.38 72.68 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.837 0.855 . . . . 73.13 111.795 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.412 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.1 ptm -73.36 -28.51 62.08 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 119.177 -0.44 . . . . 72.02 110.64 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 19' ' ' VAL . 86.9 mt -62.74 -47.4 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 N-CA-C 109.139 -0.689 . . . . 71.21 109.139 170.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.506 ' HE3' HG12 ' A' ' 20' ' ' VAL . 99.7 mttt -51.53 -46.23 63.25 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 124.111 0.882 . . . . 64.11 111.898 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.58 -35.87 52.6 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 119.065 -0.493 . . . . 52.33 110.825 -176.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 22' ' ' MET . 71.6 mt -61.59 -30.55 70.75 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 118.39 0.541 . . . . 61.44 110.446 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.5 mt -72.91 -52.82 13.17 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.494 -0.558 . . . . 74.4 109.494 170.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.28 -27.92 69.67 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.319 1.048 . . . . 70.02 112.975 -170.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.2 p -95.55 -36.39 11.29 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.833 0.853 . . . . 73.4 111.321 -177.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -107.08 -57.5 2.06 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.008 0.523 . . . . 72.31 111.819 -171.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.7 mm -81.59 -62.63 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 119.286 -0.387 . . . . 74.2 111.223 -167.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.43 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 78.7 mtp180 -45.71 -53.58 19.44 Favored Pre-proline 0 C--N 1.364 1.213 0 CA-C-O 117.141 -1.409 . . . . 73.33 112.381 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.43 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 80.5 Cg_exo -51.19 -43.32 49.39 Favored 'Trans proline' 0 C--N 1.407 3.636 0 C-N-CA 122.757 2.305 . . . . 64.53 113.018 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -65.95 -42.42 89.99 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.31 1.044 . . . . 65.1 111.202 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.469 HG13 ' SG ' ' A' ' 60' ' ' CYS . 38.3 t -71.26 -32.5 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.69 0.796 . . . . 74.33 110.894 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -69.75 -34.49 73.89 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.459 0.704 . . . . 73.04 110.466 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -69.13 -35.71 76.7 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.547 0.739 . . . . 74.54 110.564 171.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -67.89 -23.55 65.13 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.02 0.928 . . . . 73.52 111.314 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.68 34.29 2.88 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 116.385 -0.37 . . . . 65.14 112.466 175.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.16 -142.14 3.41 Favored Glycine 0 C--N 1.339 0.714 0 N-CA-C 110.587 -1.005 . . . . 72.44 110.587 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -178.32 161.36 1.41 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.627 1.171 . . . . 75.52 108.95 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.403 HG23 ' HG2' ' A' ' 32' ' ' ARG . 27.8 m -126.79 119.97 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.178 -1.045 . . . . 63.44 108.178 175.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -106.1 129.81 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.048 -1.093 . . . . 74.12 108.048 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -69.77 116.31 10.01 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.262 0.351 . . . . 74.4 110.211 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 71.7 mmtt -106.14 -20.44 13.41 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.473 0.709 . . . . 71.44 111.933 -178.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 163.66 -172.4 39.56 Favored Glycine 0 C--N 1.346 1.116 0 C-N-CA 120.732 -0.747 . . . . 45.33 114.332 171.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -148.16 108.35 4.09 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 106.753 -1.573 . . . . 72.15 106.753 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -124.17 104.41 8.83 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.374 -0.973 . . . . 74.42 108.374 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 53.63 59.15 4.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.255 1.022 . . . . 63.4 111.55 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.41 -16.59 33.88 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-N 115.033 -0.985 . . . . 74.51 114.696 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mm -95.01 110.9 24.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 117.026 0.413 . . . . 72.34 110.264 -173.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.465 HG21 HD13 ' A' ' 78' ' ' LEU . 38.7 t -81.01 104.27 9.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.78 -0.822 . . . . 64.33 108.78 178.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -85.98 119.81 26.69 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.151 0.58 . . . . 75.12 109.516 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -129.95 137.8 50.53 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.036 0.935 . . . . 52.41 111.066 -173.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HE3' ' NE2' ' A' ' 57' ' ' GLN . 65.0 tttp -88.17 113.96 24.31 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.667 0.787 . . . . 72.04 109.223 173.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.4 mt -89.71 133.78 34.5 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.471 -0.937 . . . . 74.14 108.471 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.443 ' NE2' ' HE3' ' A' ' 55' ' ' LYS . 71.7 mm-40 -92.8 175.3 6.86 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.229 0.612 . . . . 74.0 109.966 178.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.49 162.01 5.43 Favored Glycine 0 C--N 1.357 1.71 0 C-N-CA 124.008 0.813 . . . . 40.13 113.752 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m 75.06 -61.0 0.5 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.584 1.554 . . . . 55.55 110.094 -170.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.469 ' SG ' HG13 ' A' ' 35' ' ' VAL . 33.0 m -63.96 -42.04 97.4 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.477 1.111 . . . . 65.22 111.701 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.6 t -87.45 -6.07 58.56 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.185 0.594 . . . . 72.34 111.649 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.8 m -88.27 -7.61 56.5 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.489 0.716 . . . . 71.34 112.561 -173.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.4 p -143.18 127.69 9.65 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.476 0.71 . . . . 62.43 109.329 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.09 -25.65 77.55 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.992 2.461 . . . . 70.42 112.966 -175.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -60.28 -48.89 79.8 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.29 0.636 . . . . 71.11 110.868 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.5 m -72.17 -34.23 68.31 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.106 -0.497 . . . . 70.05 111.372 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.15 -46.76 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.794 0.438 . . . . 62.12 110.879 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.9 mt -67.33 -52.48 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.784 0.834 . . . . 51.33 110.947 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.4 m -59.52 -46.21 89.5 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.169 0.588 . . . . 55.11 111.115 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.55 -56.44 15.96 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.709 0.804 . . . . 70.31 110.439 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -44.08 75.54 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.285 1.034 . . . . 64.13 111.363 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -67.99 -40.85 83.0 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.538 0.735 . . . . 64.32 111.374 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.08 96.27 Favored Glycine 0 CA--C 1.526 0.737 0 O-C-N 123.135 0.272 . . . . 35.43 112.527 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.71 -41.32 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.346 1.058 . . . . 73.5 109.923 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -62.19 -56.17 21.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.896 0.879 . . . . 61.45 110.744 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -64.81 -26.38 68.32 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.334 0.654 . . . . 75.31 111.901 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.1 ttp -69.1 -60.48 2.33 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.014 -0.365 . . . . 72.42 110.014 174.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.519 ' HB3' HG21 ' A' ' 85' ' ' VAL . 97.1 mt -60.56 -39.9 89.67 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 123.821 0.848 . . . . 72.21 111.571 -175.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 94.1 mt-30 -66.07 -34.18 77.49 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.348 0.659 . . . . 61.22 111.898 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.45 -33.85 75.64 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.674 0.79 . . . . 64.54 110.725 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -101.32 -26.49 13.6 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.546 0.739 . . . . 73.44 111.885 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.6 mt -136.77 99.35 10.35 Favored Pre-proline 0 N--CA 1.483 1.208 0 C-N-CA 124.429 1.092 . . . . 54.42 108.989 -167.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.45 -10.79 29.72 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.831 2.354 . . . . 65.25 113.205 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -65.9 -35.97 82.09 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.331 0.653 . . . . 61.1 110.909 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' A' ' 78' ' ' LEU . 98.3 t -68.54 117.23 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.103 0.561 . . . . 64.43 109.783 177.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -98.21 -27.53 14.12 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.514 1.126 . . . . 74.34 110.477 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.81 -179.14 43.35 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.994 -0.548 . . . . 72.25 112.53 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.439 HG22 ' HB ' ' A' ' 52' ' ' VAL . 75.8 t -131.53 138.57 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.508 1.123 . . . . 54.44 108.308 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -122.39 141.55 51.46 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.694 0.797 . . . . 64.21 109.843 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -85.44 112.76 21.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.687 0.795 . . . . 74.4 109.151 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 108.9 -0.778 . . . . 62.41 108.9 171.371 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 N--CA 1.468 0.431 0 N-CA-C 111.924 0.342 . . . . 72.32 111.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.65 97.23 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 123.654 0.596 . . . . 61.12 113.197 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.05 -48.99 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.658 0.783 . . . . 75.11 109.944 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.432 HG12 ' HE3' ' A' ' 24' ' ' LYS . 89.8 t -55.15 -44.3 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.465 1.106 . . . . 63.1 111.239 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.09 85.57 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.257 1.023 . . . . 74.54 111.604 -175.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.6 ptm -78.58 -22.38 47.2 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.624 -0.262 . . . . 72.31 111.333 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.09 -51.14 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 108.2 -1.037 . . . . 63.3 108.2 168.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HE3' HG12 ' A' ' 20' ' ' VAL . 97.8 mttt -53.1 -41.83 65.33 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.372 1.045 . . . . 73.43 111.6 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.52 -42.16 59.38 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 118.795 -0.621 . . . . 64.13 110.399 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.89 -35.02 77.11 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 118.495 0.589 . . . . 62.04 110.866 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.0 mt -66.63 -54.92 18.11 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.537 -0.756 . . . . 53.21 109.986 172.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.49 -31.23 71.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.645 0.778 . . . . 43.21 112.474 -168.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.5 p -91.09 -35.02 14.84 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.532 0.733 . . . . 71.21 111.946 -175.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -105.41 -59.47 1.76 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.803 0.441 . . . . 74.21 111.195 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.9 mm -73.57 -61.2 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 115.504 -0.771 . . . . 71.13 110.324 -164.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HG2' HG22 ' A' ' 42' ' ' VAL . 70.2 mtp180 -48.13 -50.64 54.21 Favored Pre-proline 0 CA--C 1.559 1.295 0 CA-C-O 116.94 -1.505 . . . . 62.2 112.278 -177.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 81.1 Cg_exo -49.67 -54.54 5.29 Favored 'Trans proline' 0 C--N 1.411 3.858 0 C-N-CA 122.896 2.397 . . . . 74.01 113.166 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.6 m -60.21 -44.92 94.76 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.236 1.014 . . . . 64.21 111.735 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.636 HG13 ' SG ' ' A' ' 60' ' ' CYS . 64.0 t -68.8 -34.43 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 C-N-CA 124.461 1.104 . . . . 73.13 110.525 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.17 -26.86 59.4 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.341 0.656 . . . . 75.03 111.482 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 15.3 mm-40 -65.56 -34.52 78.43 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.796 0.438 . . . . 74.45 109.858 172.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -80.04 -24.04 40.99 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.408 -0.814 . . . . 74.01 110.445 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.75 -21.15 7.6 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.442 -0.345 . . . . 73.24 113.243 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.58 -162.11 30.99 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 122.832 0.253 . . . . 62.4 113.326 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -169.84 156.43 6.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.23 1.012 . . . . 74.01 108.705 176.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.424 HG22 ' HG2' ' A' ' 32' ' ' ARG . 17.0 m -121.8 121.54 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 N-CA-C 108.402 -0.962 . . . . 44.33 108.402 177.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.8 mp -107.6 117.4 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 107.926 -1.138 . . . . 72.01 107.926 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -67.6 112.39 4.71 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 109.539 -0.541 . . . . 63.23 109.539 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.51 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 10.5 mmpt? -95.12 -49.97 5.28 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.871 0.868 . . . . 71.45 111.185 -176.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.5 -174.08 36.91 Favored Glycine 0 C--N 1.345 1.051 0 C-N-CA 121.246 -0.502 . . . . 54.23 113.458 -174.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -158.14 123.28 4.38 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 107.458 -1.312 . . . . 73.11 107.458 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -126.49 111.56 14.55 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.442 -0.577 . . . . 72.35 109.442 174.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 70.85 -72.59 0.11 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.028 1.331 . . . . 73.34 110.365 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.517 ' HA3' ' HG2' ' A' ' 86' ' ' GLU . . . -147.61 3.57 0.86 Allowed Glycine 0 C--N 1.343 0.951 0 CA-C-N 115.972 -0.558 . . . . 42.03 113.271 174.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.9 mm -91.13 106.46 17.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 N-CA-C 109.335 -0.617 . . . . 74.41 109.335 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.577 ' HB ' HG22 ' A' ' 88' ' ' VAL . 47.6 t -79.09 105.5 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 124.344 1.058 . . . . 72.1 108.651 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' HB3' HG21 ' A' ' 91' ' ' VAL . 79.3 mt-30 -83.38 116.82 22.65 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.156 0.582 . . . . 74.21 109.735 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.6 mt -124.3 133.99 53.32 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.462 1.105 . . . . 73.33 110.225 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 64.8 tttp -88.29 109.36 19.9 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.05 -1.092 . . . . 74.23 108.05 171.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.541 HD13 HD23 ' A' ' 70' ' ' LEU . 46.5 mt -88.07 145.22 26.07 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.049 -1.093 . . . . 73.33 108.049 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -99.64 175.68 5.73 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.254 0.622 . . . . 71.41 109.705 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.11 -174.53 4.45 Favored Glycine 0 C--N 1.353 1.491 0 O-C-N 123.684 0.615 . . . . 64.01 113.709 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.6 m 73.51 -60.43 0.53 Allowed 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.504 1.521 . . . . 75.22 111.098 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.636 ' SG ' HG13 ' A' ' 35' ' ' VAL . 57.7 m -75.99 -6.5 51.25 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.205 1.002 . . . . 72.41 112.065 176.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.9 p -125.13 37.82 4.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.922 0.889 . . . . 73.1 110.333 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.3 m -61.88 -32.35 72.71 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.087 0.555 . . . . 64.24 112.379 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 77.4 m -137.94 157.32 73.38 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.016 0.926 . . . . 63.2 109.717 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -49.8 -38.34 46.91 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 123.137 2.558 . . . . 61.34 113.351 171.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t -71.74 -30.86 66.06 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.32 0.648 . . . . 64.03 111.491 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.5 m -63.69 -41.75 98.1 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.663 0.385 . . . . 63.44 110.027 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.45 -51.24 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.217 1.007 . . . . 72.1 110.857 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.59 -46.16 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.997 0.919 . . . . 55.54 110.976 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.5 m -64.83 -45.63 85.33 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.224 0.61 . . . . 62.05 111.033 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 56' ' ' LEU . 56.3 tp -62.46 -51.84 65.87 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.441 0.463 . . . . 63.1 110.533 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.4 -44.68 76.4 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.602 1.561 . . . . 62.21 111.266 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -70.4 -39.29 74.58 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.631 0.772 . . . . 54.34 111.45 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.86 -47.93 85.02 Favored Glycine 0 C--N 1.342 0.899 0 N-CA-C 112.033 -0.427 . . . . 74.33 112.033 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.5 mt -60.57 -44.89 97.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 123.92 0.888 . . . . 75.23 109.838 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -58.11 -57.52 12.5 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.585 1.154 . . . . 64.33 111.828 -175.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.54 -28.42 66.0 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 123.762 0.664 . . . . 42.5 111.655 -176.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 32.7 ttp -65.21 -49.6 69.11 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 109.969 -0.382 . . . . 64.23 109.969 173.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.544 ' HB3' HG21 ' A' ' 85' ' ' VAL . 94.7 mt -63.33 -35.11 79.28 Favored 'General case' 0 C--O 1.211 -0.948 0 C-N-CA 123.541 0.736 . . . . 63.02 110.661 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -72.82 -27.98 62.29 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.251 0.62 . . . . 72.42 111.989 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -70.79 -44.74 65.99 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.437 0.695 . . . . 73.34 110.487 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -89.14 -36.52 15.65 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.089 0.556 . . . . 75.33 111.579 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.4 mt -118.84 107.06 42.84 Favored Pre-proline 0 N--CA 1.482 1.158 0 C-N-CA 124.145 0.978 . . . . 74.53 109.197 -174.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -70.37 -6.3 18.58 Favored 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.954 2.436 . . . . 55.42 113.219 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.43 -20.14 57.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.444 0.697 . . . . 71.45 111.501 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 78' ' ' LEU . 58.6 t -82.62 122.12 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.401 0.68 . . . . 73.45 110.727 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.517 ' HG2' ' HA3' ' A' ' 50' ' ' GLY . 29.5 mm-40 -91.37 -37.78 13.02 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.691 1.196 . . . . 64.23 110.52 172.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.25 -179.86 39.9 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 115.465 -0.789 . . . . 51.14 112.791 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.577 HG22 ' HB ' ' A' ' 52' ' ' VAL . 46.2 t -130.17 132.3 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.847 1.259 . . . . 72.11 108.006 172.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -112.4 138.99 48.35 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.382 -0.599 . . . . 71.33 109.382 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -86.48 116.17 24.45 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.365 -0.976 . . . . 74.33 108.365 170.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.441 HG21 ' HB3' ' A' ' 53' ' ' GLN . 2.5 m . . . . . 0 N--CA 1.47 0.564 0 C-N-CA 123.962 0.905 . . . . 72.31 109.186 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 119.692 -0.194 . . . . 74.41 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.79 -44.7 88.63 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 111.994 -0.442 . . . . 71.11 111.994 173.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.84 -51.88 68.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 123.65 0.78 . . . . 55.01 110.212 174.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.29 -46.59 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.638 1.175 . . . . 63.31 111.592 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.86 -47.43 86.42 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.94 0.896 . . . . 72.24 112.183 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.403 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.5 ptm -74.71 -23.8 58.65 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 119.084 -0.484 . . . . 75.41 111.445 -177.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.69 -47.34 86.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.003 0 N-CA-C 108.573 -0.899 . . . . 70.33 108.573 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -56.23 -37.24 69.45 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.803 0.689 . . . . 73.34 111.188 176.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.09 -50.7 45.92 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.504 0.722 . . . . 53.51 110.671 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 22' ' ' MET . 96.2 mt -62.47 -31.1 71.78 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.684 0.794 . . . . 75.31 111.147 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.93 -53.2 13.85 Favored 'General case' 0 C--O 1.214 -0.775 0 N-CA-C 109.181 -0.674 . . . . 74.22 109.181 173.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 23.0 t70 -60.26 -48.46 81.65 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.441 0.696 . . . . 74.01 112.512 -170.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.7 p -81.56 -36.23 29.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.485 0.714 . . . . 62.33 112.395 -172.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' NH1' ' HG3' ' A' ' 77' ' ' MET . 7.8 mtp-105 -103.03 -52.71 2.99 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.658 0.383 . . . . 64.33 111.735 -169.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 35' ' ' VAL . 44.0 mm -85.59 -57.27 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.411 0.685 . . . . 71.34 111.292 -168.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 52.9 mtp180 -45.32 -55.89 10.71 Favored Pre-proline 0 N--CA 1.483 1.212 0 CA-C-O 117.103 -1.427 . . . . 74.25 112.988 -176.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -60.59 -35.72 88.67 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 122.051 1.834 . . . . 74.44 111.898 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.3 m -65.12 -44.96 87.02 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.182 0.993 . . . . 71.12 111.033 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 31' ' ' ILE . 40.1 t -71.79 -26.93 26.52 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 123.958 0.903 . . . . 55.02 110.71 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -79.19 -25.47 42.74 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.297 0.639 . . . . 55.21 110.928 176.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -75.02 -25.89 59.11 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.964 0.506 . . . . 55.42 110.114 168.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -79.31 -21.34 46.08 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.377 172.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.4 -32.13 3.45 Favored Glycine 0 C--N 1.347 1.186 0 CA-C-O 120.053 -0.304 . . . . 40.34 113.52 170.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.52 -137.74 9.72 Favored Glycine 0 C--N 1.344 1.027 0 CA-C-O 119.448 -0.64 . . . . 73.14 112.668 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -173.32 164.84 4.74 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.541 0.736 . . . . 71.21 109.772 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.84 111.97 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 124.228 1.011 . . . . 73.32 108.978 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.494 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 2.0 mp -99.24 119.79 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.142 -1.059 . . . . 60.03 108.142 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -74.06 107.16 6.1 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.103 -0.703 . . . . 74.13 109.103 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -89.25 -42.27 11.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.488 -0.778 . . . . 71.22 110.559 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.52 -175.91 43.33 Favored Glycine 0 C--N 1.347 1.174 0 C-N-CA 120.668 -0.777 . . . . 70.33 114.464 -177.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -155.99 108.07 2.58 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.338 1.455 . . . . 75.21 107.111 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -143.28 134.82 26.32 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 107.579 -1.267 . . . . 74.34 107.579 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 62.75 29.01 16.73 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.275 1.03 . . . . 62.53 110.534 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.67 -1.14 68.19 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 115.321 -0.854 . . . . 73.52 113.69 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.8 mm -95.94 108.66 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 123.838 0.855 . . . . 74.02 109.096 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.603 HG21 HD13 ' A' ' 78' ' ' LEU . 41.9 t -79.14 102.69 5.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 108.455 -0.943 . . . . 74.33 108.455 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -86.07 110.78 19.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 109.621 -0.511 . . . . 74.31 109.621 -174.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -119.1 134.29 55.29 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 124.386 1.075 . . . . 73.44 110.319 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.494 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 84.5 tttt -88.29 123.72 33.18 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 123.966 0.906 . . . . 75.32 109.019 172.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.419 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 38.6 mt -95.56 139.29 32.04 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.012 -0.736 . . . . 74.42 109.012 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -95.6 172.47 8.04 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.328 0.651 . . . . 73.43 111.199 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.17 154.33 15.33 Favored Glycine 0 C--N 1.359 1.848 0 O-C-N 124.137 0.898 . . . . 63.52 113.703 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.8 m 77.26 -30.97 0.17 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.838 1.655 . . . . 73.21 112.34 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.5 m -91.13 -37.93 13.07 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.653 0.781 . . . . 72.22 110.375 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.4 t -93.86 0.03 55.99 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.61 -0.723 . . . . 75.35 112.087 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.6 m -63.97 -44.09 93.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.831 0.452 . . . . 70.14 111.059 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 33.5 m -101.76 118.74 58.91 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.532 0.733 . . . . 43.42 109.806 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -51.22 -33.27 43.96 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 123.022 2.481 . . . . 63.14 113.176 170.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 m -56.54 -47.01 80.32 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.869 0.868 . . . . 72.15 110.796 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.4 t -68.0 -36.64 80.32 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 114.934 -1.03 . . . . 62.03 110.923 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.0 -46.96 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 123.937 0.773 . . . . 65.32 110.569 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.05 -50.75 79.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.786 0.834 . . . . 72.14 110.497 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.6 m -64.92 -40.62 95.33 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.571 0.749 . . . . 52.44 111.565 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.17 -52.24 50.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.184 0.594 . . . . 70.51 109.967 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.95 -42.77 85.66 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.467 1.107 . . . . 73.32 111.455 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -68.11 -41.94 81.04 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.246 0.618 . . . . 64.02 111.138 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.43 -43.53 99.21 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 112.091 -0.404 . . . . 62.44 112.091 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.31 -35.92 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.794 0.838 . . . . 64.53 110.176 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.458 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 58.1 tt0 -61.84 -58.43 8.0 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 122.96 0.504 . . . . 62.54 110.283 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -59.56 -31.27 69.28 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.631 0.773 . . . . 71.45 111.786 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.431 ' HG3' ' NH1' ' A' ' 30' ' ' ARG . 19.0 tmm? -66.8 -54.64 20.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.173 0.589 . . . . 73.32 110.673 175.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.603 HD13 HG21 ' A' ' 52' ' ' VAL . 76.6 mt -68.32 -27.59 66.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.54 0.736 . . . . 64.04 111.791 -177.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -79.84 -21.94 43.57 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.738 0.815 . . . . 75.44 111.259 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -69.88 -48.13 59.9 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.21 0.604 . . . . 73.31 109.823 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.79 -34.37 22.78 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.689 -0.687 . . . . 61.22 111.784 -176.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.7 mt -131.92 118.3 16.44 Favored Pre-proline 0 N--CA 1.485 1.288 0 C-N-CA 124.01 0.924 . . . . 72.42 109.976 -170.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -78.33 -10.13 16.23 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 122.635 2.223 . . . . 53.2 113.37 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.3 -30.6 64.95 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.2 0.6 . . . . 72.11 111.344 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.52 HG21 ' HB3' ' A' ' 78' ' ' LEU . 86.6 t -67.47 103.2 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.826 0.85 . . . . 75.33 110.643 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -70.47 -32.85 70.56 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.929 0.892 . . . . 63.12 111.175 172.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.458 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 179.8 -173.02 44.74 Favored Glycine 0 CA--C 1.504 -0.65 0 CA-C-N 116.067 -0.515 . . . . 75.01 112.545 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.478 HG22 ' HB ' ' A' ' 52' ' ' VAL . 74.5 t -127.6 144.29 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.036 1.334 . . . . 60.21 107.424 175.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -130.18 141.25 50.68 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.995 -0.743 . . . . 75.25 108.995 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.419 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 47.3 tt0 -83.85 115.49 22.28 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.722 -1.214 . . . . 73.53 107.722 169.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 108.413 -0.958 . . . . 64.12 108.413 168.635 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.588 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 36.9 t70 . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 111.403 0.149 . . . . 74.12 111.403 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.45 -42.52 89.1 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 111.346 -0.702 . . . . 72.11 111.346 170.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 23' ' ' ILE . 89.4 t -64.92 -50.97 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.352 0.661 . . . . 63.04 109.697 172.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 54.8 t -54.38 -41.51 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.706 1.202 . . . . 65.52 111.561 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.87 -44.54 76.84 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.746 0.818 . . . . 70.14 111.436 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.78 -22.92 59.67 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.424 -0.353 . . . . 54.11 111.25 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 19' ' ' VAL . 73.4 mt -68.69 -50.02 59.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 108.421 -0.955 . . . . 74.45 108.421 170.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.04 -40.21 66.88 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.638 0.775 . . . . 63.5 111.22 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.07 -51.49 53.87 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 124.063 0.852 . . . . 64.1 110.573 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.68 -35.42 77.94 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 123.864 0.727 . . . . 63.51 111.053 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.49 -53.97 16.52 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 109.87 -0.418 . . . . 65.43 109.87 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.4 -38.82 91.13 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.872 0.869 . . . . 72.53 112.386 -168.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.1 p -86.29 -36.55 19.26 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.977 -0.556 . . . . 71.31 112.208 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -103.36 -58.02 1.94 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.205 0.602 . . . . 75.42 111.446 -170.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.41 HD11 ' SD ' ' A' ' 77' ' ' MET . 50.9 mm -83.78 -48.04 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 116.204 -0.453 . . . . 73.54 111.171 -166.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -53.07 -53.05 59.79 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-O 117.43 -1.271 . . . . 73.32 111.875 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.494 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 50.0 Cg_exo -55.18 -41.93 73.77 Favored 'Trans proline' 0 C--N 1.404 3.471 0 C-N-CA 122.346 2.03 . . . . 71.22 112.325 178.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.6 m -59.68 -50.76 72.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.811 0.845 . . . . 65.13 111.36 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.502 HG13 ' SG ' ' A' ' 60' ' ' CYS . 38.3 t -71.74 -26.25 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 123.154 0.582 . . . . 62.54 111.052 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -72.88 -30.89 64.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.784 0.434 . . . . 74.24 110.543 173.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 22.6 mm-40 -74.0 -27.08 60.79 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.004 0.522 . . . . 75.53 110.352 172.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.81 -21.4 57.37 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.809 0.844 . . . . 61.12 110.041 170.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.56 -16.43 24.03 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 116.148 -0.478 . . . . 72.14 113.393 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.79 -145.81 19.83 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 112.302 -0.319 . . . . 32.34 112.302 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -171.71 158.85 5.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.247 1.019 . . . . 72.23 109.339 173.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.9 m -115.94 115.68 49.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 N-CA-C 108.194 -1.039 . . . . 73.51 108.194 174.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 43' ' ' ILE . 3.1 mp -107.99 119.98 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 107.847 -1.168 . . . . 72.34 107.847 -175.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -69.5 113.79 7.13 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 109.639 -0.504 . . . . 73.32 109.639 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -102.34 -29.25 11.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.063 0.945 . . . . 73.14 111.782 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.98 -171.31 42.89 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 120.759 -0.734 . . . . 71.23 114.391 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -150.29 110.7 4.21 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 106.633 -1.617 . . . . 75.35 106.633 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -131.17 131.94 44.4 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.329 -0.989 . . . . 64.33 108.329 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 77.08 -33.41 0.2 Allowed 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 125.413 1.485 . . . . 75.03 113.213 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.84 -5.74 3.12 Favored Glycine 0 N--CA 1.472 1.034 0 N-CA-C 110.781 -0.928 . . . . 51.12 110.781 -166.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.82 124.4 50.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 C-N-CA 124.031 0.932 . . . . 75.0 109.406 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.579 ' HB ' HG22 ' A' ' 88' ' ' VAL . 44.8 t -84.99 113.82 24.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 108.493 -0.928 . . . . 63.02 108.493 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -91.01 115.7 28.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.305 0.642 . . . . 72.43 109.738 -176.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.9 mt -128.22 137.13 51.9 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.476 1.11 . . . . 75.33 110.202 -175.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.37 130.74 34.53 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.886 -0.783 . . . . 70.23 108.886 172.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' HB2' HE21 ' A' ' 90' ' ' GLN . 41.7 mt -103.25 143.46 32.61 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 108.307 -0.997 . . . . 70.4 108.307 173.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -95.11 175.34 6.66 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.163 0.585 . . . . 75.43 110.566 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.44 65.82 3.93 Favored Glycine 0 C--N 1.352 1.45 0 N-CA-C 115.028 0.771 . . . . 74.11 115.028 -169.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.9 m -148.7 -51.98 0.17 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.383 -1.34 . . . . 74.11 107.383 171.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.562 ' SG ' HD22 ' A' ' 70' ' ' LEU . 55.8 m -69.48 -40.27 77.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.518 0.727 . . . . 51.55 109.916 170.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.542 ' HA ' HG12 ' A' ' 67' ' ' ILE . 13.2 m -74.09 -16.58 61.02 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.402 -1.272 . . . . 74.33 111.784 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.3 m -72.41 -9.99 59.22 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.634 0.774 . . . . 73.31 112.955 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.8 m -136.65 118.94 11.63 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 123.532 0.733 . . . . 70.13 109.574 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.33 -44.64 45.14 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 124.032 3.155 . . . . 64.41 115.047 -172.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.3 t -73.21 -35.38 66.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.373 0.269 . . . . 65.13 110.903 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.0 m -64.14 -30.9 71.94 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.138 0.575 . . . . 71.32 111.826 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.542 HG12 ' HA ' ' A' ' 61' ' ' THR . 70.6 mt -58.44 -55.35 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.89 0.876 . . . . 71.34 110.227 171.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.87 -42.8 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 114.633 -1.167 . . . . 72.34 110.389 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.7 m -67.16 -43.37 82.41 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 123.829 0.706 . . . . 72.24 111.128 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.562 HD22 ' SG ' ' A' ' 60' ' ' CYS . 58.8 tp -65.05 -49.26 70.82 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.344 0.402 . . . . 63.55 109.967 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -55.57 -43.37 75.86 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 124.25 0.969 . . . . 74.32 110.758 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.412 ' HA ' HE21 ' A' ' 75' ' ' GLN . 94.5 m-20 -73.46 -34.56 65.45 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.587 0.755 . . . . 72.01 111.899 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.81 91.8 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 112.162 -0.375 . . . . 62.44 112.162 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.19 -41.61 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.22 1.008 . . . . 72.44 109.778 174.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.412 HE21 ' HA ' ' A' ' 72' ' ' ASN . 10.6 tt0 -59.46 -47.73 84.38 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 124.314 1.046 . . . . 64.11 110.206 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -64.68 -37.5 87.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.522 0.729 . . . . 73.41 111.161 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.41 ' SD ' HD11 ' A' ' 31' ' ' ILE . 41.0 ttp -65.7 -53.91 34.54 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.958 0.408 . . . . 60.45 110.548 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.548 ' HB3' HG21 ' A' ' 85' ' ' VAL . 93.0 mt -65.69 -30.53 71.23 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.241 -0.89 . . . . 72.34 111.765 -177.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -74.59 -35.18 63.0 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.905 0.482 . . . . 65.2 110.812 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -61.43 -45.44 94.32 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.468 0.707 . . . . 71.53 110.306 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.28 -58.94 2.48 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.804 -0.634 . . . . 64.51 110.711 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.7 mt -97.44 122.03 56.75 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.035 0.934 . . . . 75.35 110.333 -172.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -75.54 -20.53 15.74 Favored 'Trans proline' 0 C--N 1.37 1.663 0 C-N-CA 122.572 2.181 . . . . 73.12 112.672 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.16 -25.24 63.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.451 0.701 . . . . 70.23 112.306 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 78' ' ' LEU . 91.4 t -72.9 96.8 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 109.516 -0.55 . . . . 62.53 109.516 175.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -69.98 -33.96 72.75 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.744 -0.662 . . . . 75.22 110.092 170.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.3 -173.79 39.21 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.68 -0.691 . . . . 74.41 113.444 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.579 HG22 ' HB ' ' A' ' 52' ' ' VAL . 78.5 t -132.47 149.27 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.982 1.313 . . . . 74.51 108.352 175.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -136.74 150.53 48.46 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.426 0.69 . . . . 71.53 110.311 177.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.442 HE22 HG23 ' A' ' 61' ' ' THR . 51.5 tt0 -88.07 118.19 27.47 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.175 0.99 . . . . 75.35 109.923 175.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.475 0.824 0 C-N-CA 123.667 0.787 . . . . 55.34 109.265 176.363 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 119.354 -0.355 . . . . 73.24 111.516 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.15 -48.68 24.61 Favored Glycine 0 C--N 1.353 1.482 0 O-C-N 123.065 0.228 . . . . 53.45 112.778 -176.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.03 -45.92 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.418 0.687 . . . . 41.44 109.505 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 68.8 t -56.86 -44.09 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 124.08 0.952 . . . . 73.42 111.142 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.22 78.46 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.712 0.805 . . . . 73.04 111.63 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.1 ptm -74.86 -27.41 60.25 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-O 119.228 -0.415 . . . . 74.54 110.881 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.1 -48.85 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 108.628 -0.878 . . . . 70.21 108.628 171.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 97.3 mttt -56.45 -41.89 77.23 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.862 0.726 . . . . 72.3 111.938 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.0 -43.78 64.52 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 109.468 -0.567 . . . . 74.14 109.468 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.59 -30.14 70.49 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.481 0.713 . . . . 74.21 110.778 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.96 -57.12 4.27 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 122.936 0.494 . . . . 71.13 109.767 172.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.32 -32.66 74.35 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.846 0.858 . . . . 63.41 112.821 -168.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 80.4 p -91.45 -28.58 17.54 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.661 0.785 . . . . 73.03 111.685 -174.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -116.17 -58.37 2.11 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.934 0.493 . . . . 75.14 111.518 -170.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.431 ' O ' HG23 ' A' ' 35' ' ' VAL . 45.4 mm -77.22 -58.42 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.315 0.646 . . . . 71.21 111.434 -170.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -48.31 -48.48 65.74 Favored Pre-proline 0 N--CA 1.482 1.173 0 CA-C-O 117.425 -1.274 . . . . 62.1 112.749 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.49 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 80.9 Cg_exo -48.51 -51.91 9.43 Favored 'Trans proline' 0 C--N 1.399 3.189 0 C-N-CA 122.376 2.051 . . . . 71.34 112.58 173.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.7 m -59.92 -44.82 94.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.148 0.979 . . . . 52.32 112.35 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 31' ' ' ILE . 4.2 t -71.06 -31.64 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 122.752 0.421 . . . . 74.41 110.574 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -73.88 -27.47 61.08 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.177 0.591 . . . . 63.22 111.194 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 19.7 mm-40 -70.81 -37.69 73.25 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 108.91 -0.774 . . . . 74.14 108.91 171.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.57 -21.98 62.63 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.273 1.029 . . . . 73.2 111.469 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.88 -18.08 9.9 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 119.902 -0.388 . . . . 44.32 113.587 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.0 -145.05 14.79 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 116.982 0.391 . . . . 61.45 112.787 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.423 ' H ' ' HB2' ' A' ' 57' ' ' GLN . 27.1 t0 -172.17 165.08 6.08 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.243 1.017 . . . . 75.54 109.579 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 m -125.71 125.15 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.917 0.887 . . . . 64.21 109.018 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -110.17 125.81 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.71 -0.848 . . . . 64.12 108.71 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -65.64 113.74 4.45 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 122.828 0.451 . . . . 75.5 110.65 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.464 ' HD2' ' HB2' ' A' ' 55' ' ' LYS . 9.3 mmpt? -93.53 -41.28 9.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.677 0.791 . . . . 74.44 110.993 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.54 -176.51 46.83 Favored Glycine 0 C--N 1.344 0.984 0 O-C-N 123.61 0.569 . . . . 60.33 113.355 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -155.02 118.51 4.5 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.713 1.205 . . . . 70.01 107.977 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -147.66 144.25 28.23 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.098 0.559 . . . . 75.55 109.745 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.8 t70 66.3 -82.75 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.804 1.241 . . . . 75.43 109.623 -172.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.27 13.18 0.24 Allowed Glycine 0 C--N 1.338 0.684 0 N-CA-C 110.817 -0.913 . . . . 74.13 110.817 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.1 mm -106.15 117.22 51.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 C-N-CA 123.504 0.722 . . . . 70.42 109.528 -173.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.518 ' HB ' HG22 ' A' ' 88' ' ' VAL . 21.2 t -86.34 109.4 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.515 -0.92 . . . . 63.4 108.515 176.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -85.51 122.14 29.21 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.362 -0.977 . . . . 74.2 108.362 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.1 mt -131.48 140.01 49.46 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.248 0.619 . . . . 73.02 110.541 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 77.4 tttt -87.65 121.83 30.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.998 -1.001 . . . . 70.42 109.077 174.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.09 146.65 23.49 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.119 -1.067 . . . . 65.33 108.119 170.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.423 ' HB2' ' H ' ' A' ' 41' ' ' ASP . 25.2 mm-40 -91.11 161.99 14.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.966 0.506 . . . . 65.24 110.455 -178.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.409 ' HA2' ' OG1' ' A' ' 61' ' ' THR . . . -73.75 67.35 1.66 Allowed Glycine 0 C--N 1.352 1.449 0 O-C-N 124.461 1.101 . . . . 63.35 113.094 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.6 m -156.75 -59.06 0.09 Allowed 'General case' 0 C--O 1.234 0.258 0 N-CA-C 106.714 -1.587 . . . . 73.22 106.714 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 37.4 t -69.84 -36.6 75.71 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.582 -0.735 . . . . 72.21 110.601 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.409 ' OG1' ' HA2' ' A' ' 58' ' ' GLY . 34.8 p -63.48 -27.07 69.02 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.812 0.845 . . . . 62.31 112.037 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.1 m -61.6 -22.35 65.14 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.024 0.93 . . . . 61.13 112.527 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 81.6 m -124.47 112.79 27.65 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 123.972 0.909 . . . . 65.52 109.224 175.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.91 -28.08 86.41 Favored 'Trans proline' 0 C--N 1.381 2.239 0 C-N-CA 123.073 2.515 . . . . 74.11 113.248 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 t -73.15 -32.42 64.86 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.814 0.446 . . . . 72.53 110.557 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.1 m -66.22 -36.58 83.41 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.518 0.327 . . . . 74.13 110.483 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.68 -50.42 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.704 0.802 . . . . 64.15 110.538 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.64 -50.86 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.318 0.647 . . . . 60.53 110.755 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 m -60.63 -45.42 94.12 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.553 0.741 . . . . 40.51 111.587 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.423 ' O ' HG13 ' A' ' 74' ' ' ILE . 34.5 tp -63.98 -53.47 49.66 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.729 0.643 . . . . 63.22 110.227 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -56.82 -41.97 78.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.062 0.945 . . . . 72.0 111.142 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.26 -43.2 87.18 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.309 0.644 . . . . 64.32 111.563 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.49 -44.51 97.49 Favored Glycine 0 C--N 1.346 1.097 0 O-C-N 123.513 0.508 . . . . 42.24 112.038 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 70' ' ' LEU . 71.6 mt -64.02 -47.49 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.664 0.786 . . . . 73.31 109.93 177.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.32 -51.73 68.57 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.26 0.975 . . . . 72.03 110.975 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.43 -34.6 78.32 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 124.11 0.881 . . . . 44.15 111.334 -176.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 34.9 ttp -65.79 -52.08 53.74 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.54 0.525 . . . . 72.21 110.54 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.555 ' HB3' HG21 ' A' ' 85' ' ' VAL . 91.2 mt -62.4 -38.26 88.95 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.628 0.771 . . . . 52.15 111.004 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 70.9 mt-30 -65.44 -37.7 87.69 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.337 0.655 . . . . 71.54 111.286 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -63.04 -31.43 72.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.739 0.816 . . . . 62.32 111.433 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -105.76 -21.81 13.09 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.293 0.637 . . . . 60.01 111.974 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.8 mt -133.81 108.78 11.87 Favored Pre-proline 0 N--CA 1.488 1.472 0 C-N-CA 123.774 0.83 . . . . 75.41 109.782 -173.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -70.86 -11.77 29.87 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 122.661 2.241 . . . . 74.53 113.304 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.22 -35.54 78.1 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.478 0.711 . . . . 71.35 110.846 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 78' ' ' LEU . 85.0 t -69.03 105.02 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.86 -0.609 . . . . 72.21 109.845 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -84.19 -30.16 26.01 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.099 0.96 . . . . 64.32 110.727 170.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.22 -173.01 37.93 Favored Glycine 0 C--N 1.348 1.22 0 CA-C-N 116.33 -0.396 . . . . 45.44 113.488 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.518 HG22 ' HB ' ' A' ' 52' ' ' VAL . 55.3 t -137.57 133.21 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.892 1.277 . . . . 75.14 108.75 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -107.11 137.31 45.41 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.138 0.975 . . . . 60.2 109.397 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -85.86 128.97 34.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.579 -0.897 . . . . 75.55 108.579 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 3.5 m . . . . . 0 N--CA 1.473 0.705 0 C-N-CA 125.216 1.407 . . . . 72.05 107.27 166.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.556 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 6.6 p-10 . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 112.018 0.377 . . . . 74.34 112.018 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.43 -46.29 20.57 Favored Glycine 0 C--N 1.353 1.498 0 N-CA-C 111.044 -0.823 . . . . 54.24 111.044 166.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.471 HG13 HD13 ' A' ' 82' ' ' ILE . 57.2 t -58.85 -49.73 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.674 0.79 . . . . 71.0 109.905 172.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 41.9 t -59.38 -43.76 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.978 1.311 . . . . 74.33 111.631 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.61 90.72 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.337 0.655 . . . . 72.23 111.994 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.408 ' HG3' HD11 ' A' ' 82' ' ' ILE . 21.7 ptm -74.46 -24.55 59.06 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 119.299 -0.381 . . . . 72.11 111.036 -177.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 19' ' ' VAL . 82.0 mt -64.08 -50.94 74.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.113 0 N-CA-C 108.8 -0.815 . . . . 72.45 108.8 170.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -52.49 -41.65 63.59 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 124.067 0.854 . . . . 73.14 111.25 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.18 -51.86 58.5 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.107 0.88 . . . . 52.14 110.779 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.1 mt -58.63 -33.91 70.58 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.782 0.833 . . . . 53.21 111.379 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -69.29 -56.35 7.81 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.88 -0.6 . . . . 73.44 109.831 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.21 -34.06 77.48 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.739 0.816 . . . . 53.31 112.14 -167.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -86.27 -49.29 7.8 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.282 0.633 . . . . 70.1 111.565 -176.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mtp-105 -91.83 -59.19 2.18 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.5 0.32 . . . . 71.13 111.384 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 35' ' ' VAL . 44.9 mm -75.93 -60.33 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-O 118.644 -0.693 . . . . 73.12 111.598 -163.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 74.8 mtp180 -45.78 -53.16 21.53 Favored Pre-proline 0 N--CA 1.489 1.506 0 CA-C-O 117.366 -1.302 . . . . 74.5 112.327 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 78.5 Cg_exo -51.95 -45.0 41.48 Favored 'Trans proline' 0 C--N 1.404 3.479 0 C-N-CA 122.965 2.444 . . . . 63.33 113.342 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.1 m -60.55 -47.67 85.16 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.213 1.005 . . . . 72.41 111.672 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 31' ' ' ILE . 15.3 t -69.08 -31.5 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 115.263 -0.881 . . . . 72.3 110.625 -177.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -71.36 -23.9 61.99 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.6 0.76 . . . . 75.43 111.584 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.53 -36.43 82.68 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.862 -0.421 . . . . 61.43 109.862 172.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -77.63 -23.43 49.76 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.376 -0.829 . . . . 73.21 110.683 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.51 -3.53 29.4 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 116.218 -0.446 . . . . 44.11 113.177 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.86 -158.52 33.12 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 112.182 -0.367 . . . . 63.32 112.182 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -173.33 160.19 3.92 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.171 0.988 . . . . 73.3 108.966 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 m -123.76 125.14 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 109.195 -0.669 . . . . 70.45 109.195 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.506 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.5 mp -113.84 127.61 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 107.852 -1.166 . . . . 70.32 107.852 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -67.97 119.04 11.96 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 110.162 -0.31 . . . . 74.44 110.162 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.578 ' HG3' HG23 ' A' ' 91' ' ' VAL . 10.9 mmpt? -99.44 -45.51 5.81 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.493 0.717 . . . . 75.2 110.557 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.97 -172.98 44.55 Favored Glycine 0 C--N 1.34 0.797 0 C-N-CA 121.341 -0.457 . . . . 55.03 113.866 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -153.97 115.26 4.12 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 106.334 -1.728 . . . . 75.42 106.334 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.89 134.67 15.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.045 0.538 . . . . 63.15 110.161 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.74 24.6 14.67 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.628 1.171 . . . . 72.43 111.113 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.3 -1.27 88.63 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 115.976 -0.556 . . . . 31.3 113.721 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mm -96.24 110.77 25.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 C-N-CA 123.859 0.864 . . . . 74.31 109.718 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.528 HG21 HD13 ' A' ' 78' ' ' LEU . 38.3 t -79.84 104.34 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 108.161 -1.051 . . . . 63.4 108.161 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.562 ' HB3' HG21 ' A' ' 91' ' ' VAL . 73.6 mt-30 -88.41 122.73 32.23 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 109.254 -0.647 . . . . 74.23 109.254 -175.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.8 mt -131.36 142.6 50.1 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.924 0.89 . . . . 51.34 111.597 -172.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.506 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 86.3 tttt -89.41 116.54 27.68 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.015 0.926 . . . . 62.14 109.611 176.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.2 mt -92.76 146.15 23.86 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.251 -0.648 . . . . 72.13 109.251 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -102.28 176.12 5.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.116 0.567 . . . . 62.24 110.666 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.91 166.63 2.66 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 123.957 0.786 . . . . 64.34 114.955 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.2 t 77.07 -57.04 0.53 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.709 1.604 . . . . 44.23 110.658 -173.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.476 ' SG ' HG13 ' A' ' 35' ' ' VAL . 58.5 m -62.96 -40.07 96.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.464 0.706 . . . . 52.22 110.68 173.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 55.3 p -80.46 -11.25 59.7 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.348 -0.842 . . . . 63.23 112.572 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.5 m -66.62 -29.42 69.46 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.036 0.534 . . . . 65.4 111.436 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 72.9 m -122.32 121.82 27.65 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 123.639 0.775 . . . . 73.5 110.243 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.75 -39.04 85.24 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.25 2.634 . . . . 71.24 112.335 173.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 p -63.02 -36.75 84.6 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.988 0.915 . . . . 52.35 111.503 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.6 m -71.77 -34.81 69.76 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.061 0.545 . . . . 62.1 110.987 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.29 -46.3 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.305 0.642 . . . . 73.34 109.963 173.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.25 -54.2 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.077 0.951 . . . . 72.41 110.846 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.3 m -59.07 -45.11 91.63 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.954 0.902 . . . . 74.43 111.226 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.71 -50.11 70.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.289 0.635 . . . . 72.25 110.64 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.35 -37.81 70.53 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.348 1.059 . . . . 72.32 111.185 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -69.82 -41.42 75.03 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.906 0.883 . . . . 72.3 111.746 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.61 -45.58 95.52 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.897 -0.481 . . . . 53.4 111.897 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.62 -42.84 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.241 1.016 . . . . 72.4 110.233 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.428 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 34.6 tt0 -56.48 -60.4 3.58 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.731 0.813 . . . . 64.11 110.675 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -60.04 -36.83 78.16 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.49 0.716 . . . . 73.2 111.809 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.6 ttp -58.41 -58.45 8.44 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 123.5 0.5 . . . . 65.4 109.808 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.58 ' HB3' HG21 ' A' ' 85' ' ' VAL . 95.3 mt -63.94 -31.35 72.51 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.683 0.793 . . . . 63.32 111.7 -177.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -76.14 -23.47 54.82 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.798 0.839 . . . . 72.22 112.149 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -69.01 -45.99 69.13 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.617 0.573 . . . . 71.32 109.846 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -86.09 -37.67 18.59 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.664 -0.698 . . . . 73.15 110.798 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.471 HD13 HG13 ' A' ' 19' ' ' VAL . 45.7 mt -124.34 107.89 29.68 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 124.117 0.967 . . . . 61.24 109.766 -170.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.11 -4.69 15.83 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.546 2.164 . . . . 61.34 113.21 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -78.39 -12.74 60.02 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.005 0.522 . . . . 74.12 111.304 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.58 HG21 ' HB3' ' A' ' 78' ' ' LEU . 99.3 t -84.38 104.58 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 109.761 -0.459 . . . . 61.2 109.761 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.32 -35.95 66.15 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.031 0.932 . . . . 74.23 110.569 171.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.428 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -179.58 -170.53 41.45 Favored Glycine 0 C--N 1.34 0.776 0 CA-C-N 115.858 -0.61 . . . . 64.31 112.513 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 73.1 t -130.99 149.32 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.108 1.363 . . . . 62.21 108.673 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -137.96 149.78 46.45 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.309 0.643 . . . . 75.14 110.337 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -85.53 127.67 34.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.835 0.854 . . . . 75.2 109.205 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.578 HG23 ' HG3' ' A' ' 45' ' ' LYS . 2.6 m . . . . . 0 N--CA 1.481 1.091 0 C-N-CA 125.286 1.434 . . . . 74.52 108.569 173.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 119.72 -0.181 . . . . 74.41 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.39 -40.81 79.54 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.909 0.755 . . . . 52.21 112.528 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 23' ' ' ILE . 55.5 t -63.09 -50.57 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.294 0.638 . . . . 71.51 109.646 173.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.471 HG12 ' HE3' ' A' ' 24' ' ' LYS . 98.2 t -57.9 -42.02 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.193 0.997 . . . . 75.23 110.846 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.16 83.64 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.854 0.862 . . . . 65.13 111.289 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.5 ptm -74.37 -24.84 59.21 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 119.096 -0.478 . . . . 62.44 110.8 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 19' ' ' VAL . 78.8 mt -62.83 -48.27 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 N-CA-C 108.579 -0.897 . . . . 75.11 108.579 171.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE3' HG12 ' A' ' 20' ' ' VAL . 97.9 mttt -55.92 -41.72 74.99 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.012 0.82 . . . . 74.14 111.986 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.78 -42.6 63.78 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 110.051 -0.352 . . . . 71.25 110.051 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.3 -32.11 73.43 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.727 0.811 . . . . 73.33 110.967 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.16 -56.85 8.19 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 108.945 -0.761 . . . . 75.04 108.945 171.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.06 -31.77 72.98 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.453 0.701 . . . . 72.15 112.845 -170.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.3 p -92.17 -37.9 12.45 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.747 0.819 . . . . 62.35 111.925 -174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -106.96 -57.55 2.05 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.847 0.459 . . . . 64.13 112.138 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.2 mm -75.99 -63.79 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 122.724 0.41 . . . . 73.44 111.306 -167.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -43.73 -50.92 17.62 Favored Pre-proline 0 CA--C 1.56 1.363 0 CA-C-O 117.375 -1.298 . . . . 72.12 113.429 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.95 -46.68 32.17 Favored 'Trans proline' 0 C--N 1.397 3.105 0 C-N-CA 122.614 2.209 . . . . 73.01 113.219 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -61.81 -43.37 98.98 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.937 0.895 . . . . 74.35 111.578 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 70' ' ' LEU . 9.7 t -72.5 -30.04 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.319 0.648 . . . . 51.11 110.738 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -74.35 -25.87 59.78 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.401 0.68 . . . . 72.41 110.882 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.43 -32.37 62.62 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.237 0.615 . . . . 52.12 109.643 169.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -76.06 -21.02 57.23 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.372 -0.831 . . . . 74.55 111.084 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.42 -26.04 5.84 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 116.473 -0.331 . . . . 70.25 113.248 172.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.44 -142.45 11.2 Favored Glycine 0 N--CA 1.472 1.061 0 CA-C-N 116.851 0.325 . . . . 55.14 112.852 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -174.2 164.65 4.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.212 1.005 . . . . 72.12 109.233 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.07 124.22 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 109.026 -0.731 . . . . 75.4 109.026 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -106.71 124.66 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.331 -0.989 . . . . 72.12 108.331 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.79 107.62 3.58 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 123.618 0.573 . . . . 71.23 110.05 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -98.65 -34.41 10.57 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.736 0.814 . . . . 71.34 111.326 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.04 -176.94 47.25 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 115.165 0.826 . . . . 74.25 115.165 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -156.73 109.43 2.55 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 125.24 1.416 . . . . 72.31 107.32 176.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -141.89 131.26 23.66 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.117 -1.068 . . . . 73.34 108.117 -176.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 63.3 23.47 13.81 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.393 1.077 . . . . 72.13 110.727 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.5 ' HA3' ' HG2' ' A' ' 86' ' ' GLU . . . 81.1 6.45 89.41 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 115.891 -0.595 . . . . 71.13 113.538 -176.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.6 mm -100.95 115.64 42.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 123.637 0.775 . . . . 73.21 109.556 -177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.583 ' HB ' HG22 ' A' ' 88' ' ' VAL . 32.2 t -82.38 110.61 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 123.919 0.888 . . . . 75.43 109.257 -178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -88.9 120.3 30.18 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.119 0.568 . . . . 74.42 109.492 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.1 mt -129.23 143.8 50.99 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.629 0.772 . . . . 65.23 110.363 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.539 ' HE3' ' NE2' ' A' ' 57' ' ' GLN . 55.7 tttp -90.15 125.74 35.56 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.827 -0.805 . . . . 71.0 108.827 169.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.8 mt -94.54 139.46 31.14 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.323 -0.992 . . . . 43.43 108.323 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.539 ' NE2' ' HE3' ' A' ' 55' ' ' LYS . 71.4 mm-40 -94.75 169.03 10.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.143 0.577 . . . . 63.14 110.99 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.51 151.27 32.78 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 115.462 -0.79 . . . . 62.43 112.784 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.5 m 72.56 9.49 5.69 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.234 1.414 . . . . 71.11 111.858 -171.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.9 m -137.28 -37.53 0.63 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.353 1.061 . . . . 73.12 109.395 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -96.69 3.11 52.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.566 0.747 . . . . 63.31 111.401 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.1 m -74.4 -39.44 62.67 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.056 0.542 . . . . 65.41 110.891 -176.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 82.5 m -107.11 122.54 41.15 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 123.642 0.777 . . . . 73.24 109.507 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.35 -33.71 92.3 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.489 2.793 . . . . 74.45 113.394 178.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.7 m -59.83 -45.65 91.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.381 0.672 . . . . 74.22 110.683 175.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.8 m -67.29 -34.69 77.93 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.173 -0.921 . . . . 73.33 111.1 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.2 -51.45 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.349 0.659 . . . . 72.31 110.515 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.02 -51.68 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.529 0.731 . . . . 72.24 110.81 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.8 m -59.84 -46.84 88.01 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.857 0.863 . . . . 75.11 111.146 -177.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.472 HD11 HG22 ' A' ' 35' ' ' VAL . 46.0 tp -62.56 -53.26 57.3 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.749 0.656 . . . . 73.44 110.239 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.34 -39.5 76.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.379 1.072 . . . . 75.03 111.698 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -67.69 -38.95 84.4 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.499 0.72 . . . . 72.41 111.263 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.73 -47.24 85.5 Favored Glycine 0 C--N 1.348 1.195 0 O-C-N 123.48 0.488 . . . . 65.24 112.082 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 70' ' ' LEU . 57.4 mt -60.15 -43.93 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.04 0.936 . . . . 72.54 109.863 176.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.444 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 9.1 tt0 -58.65 -57.62 12.2 Favored 'General case' 0 C--O 1.22 -0.473 0 O-C-N 124.424 1.077 . . . . 63.15 111.06 -178.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.422 ' N ' HD22 ' A' ' 76' ' ' ASN . 0.8 OUTLIER -66.94 -27.01 67.13 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.319 0.647 . . . . 60.21 111.667 -175.026 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -69.93 -53.07 19.53 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.704 -0.48 . . . . 74.23 109.704 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.567 ' HB3' HG21 ' A' ' 85' ' ' VAL . 75.1 mt -62.91 -28.46 70.07 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.617 0.767 . . . . 52.4 111.684 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.5 mt-30 -78.55 -31.13 47.29 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.627 0.771 . . . . 53.21 111.189 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -64.65 -41.64 95.98 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.158 0.583 . . . . 62.31 110.183 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -86.13 -34.29 20.64 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.642 0.777 . . . . 64.25 111.536 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.483 HG22 ' H ' ' A' ' 84' ' ' GLU . 16.2 mt -132.18 119.16 16.49 Favored Pre-proline 0 N--CA 1.49 1.531 0 C-N-CA 123.104 0.561 . . . . 64.14 110.411 -170.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.72 -5.13 15.18 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.595 2.197 . . . . 74.02 113.091 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.483 ' H ' HG22 ' A' ' 82' ' ' ILE . 17.4 mm-40 -81.1 -23.64 38.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.906 0.882 . . . . 73.13 111.22 -178.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.567 HG21 ' HB3' ' A' ' 78' ' ' LEU . 86.5 t -74.83 103.13 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 109.075 -0.713 . . . . 65.12 109.075 176.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HG2' ' HA3' ' A' ' 50' ' ' GLY . 8.6 mm-40 -77.48 -27.01 51.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.783 0.833 . . . . 72.0 109.859 174.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.444 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 179.11 -171.16 43.13 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 116.004 -0.544 . . . . 65.44 113.212 176.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.583 HG22 ' HB ' ' A' ' 52' ' ' VAL . 76.8 t -131.49 136.49 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 125.309 1.444 . . . . 71.34 107.877 174.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -120.77 144.55 48.23 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.227 0.611 . . . . 71.43 110.06 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -85.51 116.59 23.9 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.292 -0.633 . . . . 71.14 109.292 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 9.0 m . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 107.393 -1.336 . . . . 73.43 107.393 164.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 118.832 -0.604 . . . . 75.52 112.218 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.27 -36.09 10.08 Favored Glycine 0 C--N 1.365 2.148 0 N-CA-C 115.639 1.015 . . . . 71.03 115.639 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 23' ' ' ILE . 59.9 t -59.23 -58.21 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.33 0.652 . . . . 53.13 110.066 172.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.573 HG12 ' HE3' ' A' ' 24' ' ' LYS . 64.7 t -60.63 -33.72 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.838 1.255 . . . . 61.25 110.953 -178.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.42 -44.64 67.5 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.599 1.16 . . . . 65.34 110.692 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.54 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.9 ptm -74.48 -25.04 59.13 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.612 -0.709 . . . . 74.24 110.979 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 19' ' ' VAL . 83.5 mt -62.39 -49.36 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 109.357 -0.608 . . . . 63.42 109.357 173.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.573 ' HE3' HG12 ' A' ' 20' ' ' VAL . 79.7 mttt -49.48 -44.8 46.19 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.165 0.986 . . . . 70.4 111.389 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.0 -53.9 15.62 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.874 -1.057 . . . . 72.02 111.613 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.77 -37.06 70.56 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.331 1.052 . . . . 62.01 111.205 -176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.54 -57.37 7.42 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.764 -0.653 . . . . 72.12 110.584 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.87 -36.23 83.24 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.332 0.653 . . . . 75.03 112.422 -168.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.8 p -85.4 -45.44 11.87 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.958 -0.564 . . . . 62.52 111.405 -176.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -95.66 -58.28 2.15 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.581 0.352 . . . . 71.25 111.804 -173.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.4 mm -78.54 -58.41 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 118.949 -0.548 . . . . 43.31 111.616 -164.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 56.9 mtp180 -45.56 -54.52 15.11 Favored Pre-proline 0 C--N 1.367 1.369 0 CA-C-O 117.011 -1.471 . . . . 75.14 112.511 -176.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.491 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 53.0 Cg_exo -55.43 -42.29 69.57 Favored 'Trans proline' 0 C--N 1.408 3.662 0 C-N-CA 122.514 2.143 . . . . 71.42 112.493 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.5 m -61.65 -48.28 81.55 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.341 1.056 . . . . 71.21 111.621 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 31' ' ' ILE . 11.6 t -69.34 -32.99 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.335 0.654 . . . . 73.11 110.471 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -67.56 -30.7 70.4 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.601 0.76 . . . . 72.43 110.828 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 18.2 mm-40 -70.09 -31.94 69.76 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.501 0.32 . . . . 45.13 111.105 174.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.6 -21.84 51.75 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.471 0.709 . . . . 65.3 110.401 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.19 -16.47 15.19 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-O 119.965 -0.353 . . . . 34.01 112.948 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.77 -158.28 33.73 Favored Glycine 0 C--N 1.351 1.395 0 C-N-CA 122.952 0.31 . . . . 72.42 112.83 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -173.16 159.34 3.85 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.311 1.044 . . . . 74.12 108.816 175.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.29 113.62 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 N-CA-C 108.358 -0.978 . . . . 70.25 108.358 177.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.6 mp -106.84 114.54 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 107.174 -1.417 . . . . 50.03 107.174 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.453 ' OH ' HG13 ' A' ' 20' ' ' VAL . 30.2 t80 -66.12 109.13 2.48 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.007 0.523 . . . . 71.54 110.168 -174.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 11.0 mmpt? -94.47 -42.55 8.79 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.614 0.766 . . . . 72.54 110.824 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.28 -179.31 47.52 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 121.01 -0.614 . . . . 70.52 114.11 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -160.3 122.85 3.32 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.208 -1.405 . . . . 74.34 107.208 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.78 138.24 32.13 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 108.926 -0.768 . . . . 75.32 108.926 173.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 62.64 -82.36 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.057 1.343 . . . . 72.44 110.611 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.63 4.65 0.79 Allowed Glycine 0 C--N 1.348 1.203 0 CA-C-O 120.191 -0.227 . . . . 30.22 113.241 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.9 mm -104.22 117.87 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 122.908 0.483 . . . . 73.52 109.99 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.53 HG21 HD13 ' A' ' 78' ' ' LEU . 42.2 t -89.37 105.24 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.256 1.022 . . . . 72.13 108.667 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -86.23 116.7 24.58 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 109.857 -0.423 . . . . 74.41 109.857 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.4 mt -122.86 145.44 48.44 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.39 1.076 . . . . 62.23 110.289 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.574 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 81.9 tttt -89.65 106.97 18.81 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.439 -0.948 . . . . 54.31 108.439 174.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.6 mt -90.42 126.71 35.98 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.815 -1.18 . . . . 75.41 107.815 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -92.55 173.31 7.85 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.37 0.668 . . . . 74.32 110.867 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.23 169.5 13.73 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-N 115.78 -0.646 . . . . 61.23 113.907 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m 75.22 -49.23 0.64 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 126.234 1.814 . . . . 65.21 111.587 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.754 ' SG ' HD22 ' A' ' 70' ' ' LEU . 53.1 t -70.99 -35.09 71.95 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.858 0.463 . . . . 52.42 110.931 174.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.4 p -92.55 27.2 2.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.475 0.71 . . . . 73.24 111.661 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.0 p -65.69 -36.63 84.17 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.081 0.953 . . . . 70.2 111.806 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.8 p -141.41 143.89 31.81 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 123.586 0.754 . . . . 75.11 109.822 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HA ' HD12 ' A' ' 67' ' ' ILE . 54.1 Cg_exo -54.03 -29.23 53.88 Favored 'Trans proline' 0 C--N 1.391 2.765 0 C-N-CA 123.681 2.921 . . . . 63.24 113.859 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 p -60.86 -49.28 78.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.488 0.715 . . . . 75.43 110.74 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -68.22 -33.07 73.74 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.241 0.616 . . . . 60.24 112.239 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 64' ' ' PRO . 69.7 mt -62.32 -51.75 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.783 0.833 . . . . 74.44 110.807 176.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.8 mt -68.14 -39.65 81.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.801 0.841 . . . . 74.45 111.133 -178.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.8 m -65.67 -37.74 87.34 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.24 0.616 . . . . 74.24 111.104 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.754 HD22 ' SG ' ' A' ' 60' ' ' CYS . 56.1 tp -68.83 -47.17 66.69 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 109.792 -0.447 . . . . 51.11 109.792 175.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.95 -33.24 68.63 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.662 1.185 . . . . 71.43 111.474 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -82.15 -35.82 28.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.222 1.009 . . . . 74.12 111.204 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.42 -49.96 66.09 Favored Glycine 0 N--CA 1.469 0.869 0 CA-C-O 121.142 0.301 . . . . 74.3 112.464 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.7 mt -62.75 -41.77 93.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 124.322 1.049 . . . . 74.31 110.158 175.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.481 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 8.6 tt0 -53.36 -58.78 5.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.451 1.1 . . . . 44.33 110.821 177.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -61.57 -34.99 76.54 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.643 0.777 . . . . 74.12 112.17 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.415 ' HE3' ' HB3' ' A' ' 77' ' ' MET . 15.3 tmm? -67.14 -50.56 60.86 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.932 0.493 . . . . 61.22 109.844 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.533 ' HB3' HG21 ' A' ' 85' ' ' VAL . 89.3 mt -64.53 -30.88 71.91 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.721 0.808 . . . . 73.33 111.534 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.7 mt-30 -74.6 -36.12 62.97 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.496 0.718 . . . . 54.3 111.02 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -58.43 -41.79 85.81 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.868 0.867 . . . . 53.11 110.292 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -88.49 -35.36 17.05 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.61 -0.723 . . . . 70.22 111.779 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.54 HD11 ' HG3' ' A' ' 22' ' ' MET . 26.3 mt -130.38 109.76 16.33 Favored Pre-proline 0 N--CA 1.486 1.368 0 C-N-CA 123.77 0.828 . . . . 61.33 109.923 -168.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.02 -3.14 13.12 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 122.664 2.243 . . . . 72.31 113.309 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.406 ' H ' HG22 ' A' ' 82' ' ' ILE . 10.7 mm-40 -79.34 -26.05 42.18 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.572 0.749 . . . . 72.23 111.049 -179.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.533 HG21 ' HB3' ' A' ' 78' ' ' LEU . 95.9 t -74.85 109.78 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.146 0.578 . . . . 61.34 109.543 176.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.76 -27.81 26.64 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.397 0.679 . . . . 74.22 110.564 171.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.481 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -175.77 -177.01 44.48 Favored Glycine 0 C--N 1.344 0.985 0 CA-C-N 116.222 -0.445 . . . . 61.2 113.405 -177.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.484 HG22 ' HB ' ' A' ' 52' ' ' VAL . 62.2 t -128.18 153.3 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 125.944 1.698 . . . . 53.51 107.392 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -142.83 143.02 31.96 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.426 0.69 . . . . 71.42 109.302 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -85.18 132.89 34.22 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.07 0.462 . . . . 64.12 110.597 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 3.8 m . . . . . 0 N--CA 1.474 0.766 0 C-N-CA 125.425 1.49 . . . . 41.3 108.284 171.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 111.217 0.08 . . . . 75.32 111.217 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.8 -38.83 96.07 Favored Glycine 0 C--N 1.349 1.257 0 N-CA-C 111.164 -0.775 . . . . 32.44 111.164 169.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.0 -48.59 87.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 123.455 0.702 . . . . 61.41 109.93 172.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.43 HG13 ' OH ' ' A' ' 44' ' ' TYR . 55.0 t -55.97 -43.58 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.78 0.832 . . . . 73.11 111.565 178.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.6 80.72 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.452 0.701 . . . . 72.11 111.874 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.458 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.7 ptm -75.53 -23.04 56.6 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.619 -0.264 . . . . 62.32 110.922 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.9 -46.1 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 108.635 -0.876 . . . . 62.1 108.635 169.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -56.92 -42.6 80.28 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.601 0.76 . . . . 64.22 111.729 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 22' ' ' MET . 7.5 pt-20 -69.11 -46.0 68.79 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 109.457 -0.571 . . . . 62.22 109.457 -178.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.43 -31.91 73.21 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 123.189 0.596 . . . . 72.3 111.507 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.44 -56.52 6.42 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.002 -0.545 . . . . 65.43 109.624 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.58 -36.21 82.08 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.892 0.477 . . . . 75.33 111.636 -168.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.8 p -83.13 -39.64 20.82 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.098 0.559 . . . . 60.53 111.544 -175.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -105.3 -58.13 1.94 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.833 0.453 . . . . 70.22 111.371 -172.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 35' ' ' VAL . 47.9 mm -75.57 -59.95 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 115.864 -0.607 . . . . 62.11 110.666 -164.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.458 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 69.6 mtp180 -46.78 -52.71 30.27 Favored Pre-proline 0 N--CA 1.487 1.376 0 CA-C-O 117.403 -1.284 . . . . 75.51 112.479 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 64.0 Cg_exo -53.96 -43.75 55.39 Favored 'Trans proline' 0 C--N 1.394 2.967 0 C-N-CA 122.58 2.186 . . . . 74.51 113.201 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -60.74 -45.55 93.85 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.671 0.788 . . . . 55.0 111.214 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 31' ' ' ILE . 22.0 t -72.86 -29.64 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.311 0.644 . . . . 75.11 111.042 -178.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 76.2 mt-30 -71.69 -38.01 70.64 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.269 0.628 . . . . 64.21 110.513 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.07 -42.2 97.08 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.356 0.662 . . . . 74.5 109.86 170.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.1 -22.11 66.9 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.444 1.098 . . . . 74.32 111.505 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.35 -30.88 3.23 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-O 119.907 -0.385 . . . . 54.25 112.815 171.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -105.35 -137.92 9.17 Favored Glycine 0 C--N 1.342 0.885 0 CA-C-N 116.821 0.311 . . . . 35.44 113.291 -175.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -174.01 159.05 3.24 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 124.631 1.172 . . . . 75.51 108.525 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.8 m -120.75 124.5 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.513 -0.921 . . . . 34.32 108.513 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.3 mp -114.18 122.75 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.173 -1.047 . . . . 75.1 108.173 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.43 ' OH ' HG13 ' A' ' 20' ' ' VAL . 85.3 t80 -67.97 113.45 5.68 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.362 0.665 . . . . 74.2 109.91 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 11.4 mmpt? -94.28 -41.66 9.34 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.223 0.609 . . . . 65.24 110.582 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.08 -178.45 48.28 Favored Glycine 0 C--N 1.351 1.388 0 C-N-CA 120.805 -0.712 . . . . 41.53 114.353 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -156.11 112.66 3.12 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.38 -1.341 . . . . 71.52 107.38 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -129.33 142.65 50.77 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 107.82 -1.178 . . . . 70.35 107.82 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 62.08 -84.93 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.47 1.108 . . . . 60.51 109.665 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.58 9.9 0.41 Allowed Glycine 0 C--N 1.338 0.694 0 C-N-CA 123.736 0.684 . . . . 75.13 112.061 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.4 mm -99.49 117.23 44.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 123.403 0.681 . . . . 75.21 109.448 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.532 ' HB ' HG22 ' A' ' 88' ' ' VAL . 21.5 t -85.88 108.37 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 108.478 -0.934 . . . . 64.14 108.478 176.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -84.77 114.74 22.28 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.522 -0.547 . . . . 65.0 109.522 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.54 135.28 53.04 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.3 1.04 . . . . 75.31 110.306 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -88.64 131.82 34.82 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.813 0.845 . . . . 64.51 108.834 173.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.401 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 41.4 mt -101.21 141.43 34.11 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.695 -0.483 . . . . 65.12 109.695 175.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -97.05 174.9 6.52 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.802 0.841 . . . . 71.24 110.275 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.24 159.97 7.81 Favored Glycine 0 C--N 1.361 1.921 0 O-C-N 124.199 0.937 . . . . 45.34 113.832 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.3 m 76.39 -57.1 0.56 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 125.705 1.602 . . . . 51.51 110.286 -169.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.5 m -68.83 -38.62 79.98 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.692 0.797 . . . . 75.13 111.859 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.455 ' HA ' HG12 ' A' ' 67' ' ' ILE . 8.3 t -95.69 4.26 53.17 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.208 0.603 . . . . 50.01 111.39 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -76.82 -46.44 24.88 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 122.93 0.492 . . . . 54.04 111.514 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.6 p -112.74 128.51 25.48 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 123.934 0.894 . . . . 74.23 109.862 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -54.38 -25.59 40.21 Favored 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.797 2.998 . . . . 74.44 114.385 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 t -58.16 -48.23 80.93 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 123.823 0.849 . . . . 75.13 110.434 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -72.83 -37.02 67.59 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.31 -0.859 . . . . 74.01 111.287 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.455 HG12 ' HA ' ' A' ' 61' ' ' THR . 66.9 mt -57.6 -55.25 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 123.86 0.864 . . . . 74.43 111.726 -178.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.7 mt -67.71 -49.13 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 115.436 -0.802 . . . . 51.12 110.739 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.1 m -66.36 -35.8 81.28 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.15 0.58 . . . . 63.51 112.182 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 74' ' ' ILE . 40.5 tp -65.58 -53.93 34.97 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.384 -0.598 . . . . 65.54 109.384 176.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -55.01 -40.25 69.95 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 124.22 0.95 . . . . 65.33 111.791 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -71.01 -42.64 69.33 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.336 0.655 . . . . 74.12 111.147 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.85 -45.3 96.03 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 112.34 -0.304 . . . . 72.43 112.34 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 70' ' ' LEU . 64.1 mt -60.77 -44.52 97.57 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 C-N-CA 124.23 1.012 . . . . 75.23 109.831 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -57.67 -54.4 47.32 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.414 1.071 . . . . 72.24 111.009 -177.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -64.22 -33.4 75.71 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.438 0.461 . . . . 73.43 111.73 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -67.92 -45.81 73.31 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.886 0.374 . . . . 63.05 110.529 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.565 ' HB3' HG21 ' A' ' 85' ' ' VAL . 81.8 mt -67.12 -29.06 68.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.386 0.674 . . . . 72.21 111.437 177.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.7 mt-30 -81.59 -23.8 36.88 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.589 0.756 . . . . 65.05 111.625 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.28 -39.57 93.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.01 0.924 . . . . 74.22 109.91 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -91.73 -43.85 9.33 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.994 -1.003 . . . . 73.33 111.903 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.458 HD11 ' HG3' ' A' ' 22' ' ' MET . 33.2 mt -125.18 108.45 27.39 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 123.542 0.737 . . . . 71.11 109.953 -167.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.79 -12.73 35.3 Favored 'Trans proline' 0 C--N 1.369 1.61 0 C-N-CA 122.65 2.234 . . . . 72.24 112.682 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -70.05 -26.25 63.94 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.484 0.714 . . . . 62.05 110.815 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 78' ' ' LEU . 91.8 t -71.1 101.34 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 108.388 -0.968 . . . . 74.52 108.388 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -85.0 -26.33 27.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.019 -0.991 . . . . 73.32 110.324 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.11 178.88 46.69 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 115.711 -0.677 . . . . 62.22 112.263 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 52' ' ' VAL . 74.1 t -131.91 146.65 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.739 1.216 . . . . 72.41 108.058 174.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -127.26 143.2 51.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.164 0.586 . . . . 64.31 110.062 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.401 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 45.3 tt0 -84.26 117.18 23.38 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 108.04 -1.096 . . . . 71.41 108.04 170.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.242 0.663 0 CA-C-O 121.624 0.726 . . . . 64.12 109.972 177.097 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 CA--C 1.539 0.535 0 CA-C-O 119.37 -0.348 . . . . 62.31 111.515 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.96 -56.18 6.65 Favored Glycine 0 C--N 1.354 1.552 0 N-CA-C 112.094 -0.403 . . . . 64.3 112.094 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.93 -44.26 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.593 0.757 . . . . 72.43 110.43 174.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.422 HG12 ' HE3' ' A' ' 24' ' ' LYS . 73.7 t -60.78 -43.17 94.74 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 123.85 0.86 . . . . 71.23 111.481 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.58 87.73 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.128 0.571 . . . . 54.21 111.721 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.0 ptm -76.25 -26.19 55.73 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 111.636 0.235 . . . . 62.4 111.636 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.411 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 85.0 mt -65.76 -49.43 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.578 -0.897 . . . . 72.31 108.578 169.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HE3' HG12 ' A' ' 20' ' ' VAL . 98.3 mttt -54.08 -42.13 68.97 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.068 0.947 . . . . 72.13 112.008 179.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -73.36 -41.85 62.92 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-O 119.005 -0.521 . . . . 50.41 110.385 -177.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.66 -32.8 73.93 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 122.962 0.505 . . . . 71.42 111.471 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 77.7 mt -68.88 -54.53 15.11 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.878 -0.601 . . . . 64.33 109.526 172.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -63.51 -29.29 70.58 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.556 1.142 . . . . 74.04 112.793 -171.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -90.44 -46.7 8.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.288 0.635 . . . . 53.53 111.674 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 26.1 mtp180 -98.93 -56.09 2.53 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.766 0.426 . . . . 65.42 111.28 -173.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -76.19 -61.77 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 118.962 -0.542 . . . . 73.43 110.983 -164.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -49.17 -49.62 68.62 Favored Pre-proline 0 CA--C 1.557 1.248 0 CA-C-O 117.399 -1.286 . . . . 75.33 113.342 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.442 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 66.1 Cg_exo -54.02 -46.82 30.74 Favored 'Trans proline' 0 C--N 1.399 3.203 0 C-N-CA 122.128 1.886 . . . . 63.31 112.592 176.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.8 m -64.22 -43.38 95.15 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.074 0.95 . . . . 45.13 111.75 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.55 HG13 ' SG ' ' A' ' 60' ' ' CYS . 61.6 t -74.52 -32.03 29.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 123.922 0.889 . . . . 65.41 111.233 -176.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.0 -22.68 52.73 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.157 0.583 . . . . 64.24 111.148 176.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 26.4 mm-40 -78.34 -31.07 48.48 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.371 -0.603 . . . . 72.33 109.371 169.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -72.42 -24.15 61.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.378 0.671 . . . . 71.33 110.454 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.41 -19.75 6.67 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 116.424 -0.353 . . . . 41.11 113.394 174.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.23 -145.92 16.08 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-O 120.129 -0.262 . . . . 64.31 113.289 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -172.39 162.01 5.3 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.905 1.282 . . . . 72.23 108.726 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.9 m -120.76 122.04 66.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 N-CA-C 108.076 -1.083 . . . . 75.01 108.076 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.476 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.7 mp -106.51 123.32 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 107.339 -1.356 . . . . 62.11 107.339 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -67.62 119.88 13.1 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 109.561 -0.533 . . . . 75.2 109.561 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.626 ' HD2' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -109.21 -43.57 4.12 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.543 0.737 . . . . 64.55 111.486 -174.526 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.89 178.93 41.48 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 114.277 0.471 . . . . 62.41 114.277 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -157.78 112.96 2.72 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.868 1.267 . . . . 73.12 107.978 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -126.63 104.48 8.13 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.89 -0.411 . . . . 63.24 109.89 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 65.04 10.27 6.16 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.434 1.093 . . . . 72.21 112.875 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.79 -17.03 6.44 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-O 120.105 -0.275 . . . . 71.03 113.627 -176.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.8 mm -86.92 101.54 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 109.325 -0.62 . . . . 73.51 109.325 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.491 HG21 HD13 ' A' ' 78' ' ' LEU . 50.5 t -78.71 116.23 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.242 1.017 . . . . 72.13 108.45 177.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -105.2 120.11 40.71 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.793 -0.447 . . . . 74.2 109.793 -174.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.4 mt -126.81 143.76 51.16 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.817 1.247 . . . . 74.14 109.889 -173.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.626 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . 87.7 tttt -87.22 105.78 17.45 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.984 -1.117 . . . . 73.31 107.984 173.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.6 mt -86.75 126.42 34.58 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.71 -1.218 . . . . 75.22 107.71 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -94.39 168.07 11.12 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.316 0.646 . . . . 44.23 111.161 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.54 161.75 9.1 Favored Glycine 0 C--N 1.36 1.881 0 O-C-N 124.192 0.932 . . . . 64.22 113.969 -178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.6 t 78.16 -41.74 0.33 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 125.895 1.678 . . . . 65.51 111.385 -172.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.55 ' SG ' HG13 ' A' ' 35' ' ' VAL . 58.2 m -85.47 -13.25 49.74 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.506 0.722 . . . . 71.35 111.561 176.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.8 p -107.16 24.57 12.61 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.275 1.03 . . . . 54.13 111.86 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -67.29 92.38 0.28 Allowed 'General case' 0 CA--C 1.546 0.825 0 O-C-N 123.466 0.479 . . . . 74.45 110.32 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 59.6 m 74.69 152.61 0.14 Allowed Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 125.266 1.426 . . . . 72.24 111.074 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -53.14 -26.05 31.71 Favored 'Trans proline' 0 C--N 1.394 2.948 0 C-N-CA 123.381 2.721 . . . . 75.5 114.35 -177.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.8 t -58.47 -57.42 13.02 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.275 0.63 . . . . 64.45 110.677 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -62.19 -35.71 79.68 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.328 0.651 . . . . 71.03 112.132 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.22 -54.51 33.92 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 C-N-CA 123.941 0.896 . . . . 71.43 111.111 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.6 mt -69.19 -37.12 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 123.736 0.814 . . . . 74.3 111.219 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.1 m -66.67 -42.6 86.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.387 0.675 . . . . 73.32 111.03 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.32 -46.78 82.04 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.775 0.672 . . . . 55.22 109.646 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.43 -40.3 78.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.382 1.473 . . . . 53.33 111.052 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -76.65 -33.98 58.29 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.681 0.792 . . . . 54.14 111.71 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.04 -45.5 95.97 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.521 -0.632 . . . . 45.43 111.521 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.81 -39.26 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 C-N-CA 124.245 1.018 . . . . 73.21 110.0 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.537 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 33.0 tt0 -56.64 -61.5 2.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.375 1.07 . . . . 73.14 111.122 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -66.94 -30.13 70.18 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 123.522 0.514 . . . . 64.25 111.727 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.436 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 35.1 ttp -64.04 -51.98 61.6 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 110.055 -0.35 . . . . 72.44 110.055 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.524 ' HB3' HG21 ' A' ' 85' ' ' VAL . 96.4 mt -65.3 -39.03 91.97 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 123.341 0.657 . . . . 75.02 111.233 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -67.51 -30.86 70.64 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.454 0.701 . . . . 65.22 111.947 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.25 -46.11 90.3 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.657 0.783 . . . . 61.15 110.229 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -87.75 -34.67 18.26 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.05 0.54 . . . . 61.31 111.607 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mt -123.13 107.68 32.7 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.7 1.2 . . . . 73.32 108.843 -168.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.66 -4.03 14.78 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 122.389 2.06 . . . . 65.23 112.455 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -78.36 -27.62 46.98 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.669 0.788 . . . . 61.23 111.278 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 78' ' ' LEU . 99.4 t -73.11 117.51 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 C-N-CA 123.287 0.635 . . . . 74.55 110.692 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -83.89 -35.09 24.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.926 1.29 . . . . 72.55 110.285 173.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.537 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 178.7 -167.46 37.87 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 115.562 -0.745 . . . . 74.45 112.106 -178.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.414 HG22 ' HB ' ' A' ' 52' ' ' VAL . 87.5 t -131.19 161.28 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 N-CA-C 107.849 -1.167 . . . . 72.22 107.849 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.28 145.84 31.42 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.36 0.664 . . . . 72.53 109.39 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -84.02 119.26 24.72 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.46 -0.941 . . . . 53.53 108.46 170.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.46 HG23 ' HG3' ' A' ' 45' ' ' LYS . 5.2 m . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 108.647 -0.872 . . . . 64.22 108.647 170.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 119.523 -0.275 . . . . 72.11 111.106 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.23 -34.22 88.48 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 123.372 0.42 . . . . 61.31 112.882 171.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 23' ' ' ILE . 95.3 t -60.29 -51.08 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.181 0.592 . . . . 72.13 109.625 171.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.514 HG12 ' HE3' ' A' ' 24' ' ' LYS . 90.3 t -58.6 -40.81 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 124.394 1.078 . . . . 61.13 110.852 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.04 82.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.872 0.869 . . . . 62.41 111.593 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.581 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.6 ptm -79.19 -22.65 44.63 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 119.357 -0.354 . . . . 61.13 111.41 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 19' ' ' VAL . 89.2 mt -67.81 -41.06 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 108.999 -0.741 . . . . 72.34 108.999 170.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.514 ' HE3' HG12 ' A' ' 20' ' ' VAL . 99.5 mttt -52.5 -44.0 65.4 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.387 0.675 . . . . 55.55 111.679 177.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.54 -38.72 54.62 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 119.046 -0.502 . . . . 64.31 110.178 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 -28.85 70.29 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 118.401 0.546 . . . . 74.21 111.502 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.03 -55.59 6.3 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 109.06 -0.719 . . . . 75.14 109.06 171.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.84 -32.02 73.52 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.353 0.661 . . . . 64.44 112.31 -168.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -86.87 -38.22 16.96 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.385 0.674 . . . . 54.32 111.338 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.456 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 22.9 mtp-105 -108.42 -58.46 1.99 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 111.847 0.314 . . . . 75.25 111.847 -173.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 35' ' ' VAL . 47.8 mm -76.69 -58.3 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.117 0.567 . . . . 62.31 111.751 -166.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -48.59 -50.49 58.88 Favored Pre-proline 0 CA--C 1.56 1.353 0 CA-C-O 117.481 -1.247 . . . . 74.31 112.842 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.72 -37.87 84.41 Favored 'Trans proline' 0 C--N 1.398 3.153 0 C-N-CA 122.216 1.944 . . . . 51.31 113.181 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.9 m -69.47 -49.46 54.65 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.76 0.824 . . . . 72.24 111.421 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' ILE . 14.6 t -71.35 -31.14 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 123.134 0.574 . . . . 61.41 110.809 -174.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -69.02 -27.83 66.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.307 0.643 . . . . 61.12 111.21 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.27 -36.24 68.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.47 0.308 . . . . 63.32 110.173 170.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.04 -19.88 60.48 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.248 0.619 . . . . 71.42 111.303 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.62 3.96 28.54 Favored Glycine 0 C--N 1.344 1.012 0 CA-C-O 119.832 -0.427 . . . . 70.04 113.259 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.92 -152.43 9.19 Favored Glycine 0 N--CA 1.472 1.092 0 C-N-CA 123.364 0.507 . . . . 44.1 112.314 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.411 ' N ' ' HB2' ' A' ' 57' ' ' GLN . 26.5 t70 -172.69 163.21 5.16 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.478 1.111 . . . . 64.22 108.744 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.26 119.22 57.79 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 CA-C-O 121.347 0.594 . . . . 72.5 109.47 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.57 128.92 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.764 -1.198 . . . . 65.54 107.764 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.22 123.44 27.42 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 109.302 -0.629 . . . . 71.41 109.302 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -104.43 -47.79 4.01 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.964 0.906 . . . . 73.2 111.729 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.97 -179.9 47.59 Favored Glycine 0 N--CA 1.477 1.372 0 C-N-CA 120.618 -0.801 . . . . 43.02 114.144 -176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -151.41 117.9 5.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.965 0.906 . . . . 64.51 109.019 -175.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -143.67 142.22 30.9 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.113 0.565 . . . . 72.23 109.821 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 63.74 -77.99 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.34 1.456 . . . . 75.11 110.606 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.88 13.24 0.16 Allowed Glycine 0 C--N 1.338 0.641 0 N-CA-C 111.147 -0.781 . . . . 61.32 111.147 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.9 mm -103.65 119.93 52.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 123.179 0.592 . . . . 65.21 109.752 -172.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.479 HG21 HD13 ' A' ' 78' ' ' LEU . 28.1 t -86.86 101.51 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 108.753 -0.832 . . . . 72.43 108.753 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -79.93 114.13 18.61 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.101 0.56 . . . . 72.23 110.013 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -123.31 135.57 54.27 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.836 1.254 . . . . 72.33 109.974 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 85.8 tttt -88.74 110.16 20.76 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.527 -0.545 . . . . 75.11 109.527 173.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.449 HD12 HG23 ' A' ' 67' ' ' ILE . 42.1 mt -85.19 140.6 30.78 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.533 -0.914 . . . . 74.41 108.533 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.411 ' HB2' ' N ' ' A' ' 41' ' ' ASP . 78.8 mm-40 -96.05 175.88 6.31 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.472 0.709 . . . . 70.33 110.889 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.79 171.59 0.8 Allowed Glycine 0 C--N 1.357 1.697 0 O-C-N 124.144 0.902 . . . . 72.4 115.342 -175.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m 74.11 -61.97 0.48 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.528 1.531 . . . . 42.1 110.229 -171.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.4 m -62.49 -42.93 99.83 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.614 0.766 . . . . 71.24 111.035 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.404 HG22 ' NE2' ' A' ' 90' ' ' GLN . 71.4 p -77.39 -18.75 57.04 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.532 0.733 . . . . 71.12 112.382 -178.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -73.58 -11.36 60.41 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.44 0.696 . . . . 75.05 111.385 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 66' ' ' SER . 1.6 p -132.86 106.79 12.68 Favored Pre-proline 0 CA--C 1.563 1.457 0 C-N-CA 124.517 1.127 . . . . 73.21 109.126 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.428 ' HA ' HD12 ' A' ' 67' ' ' ILE . 51.7 Cg_exo -55.91 -38.57 94.41 Favored 'Trans proline' 0 C--N 1.388 2.612 0 C-N-CA 123.969 3.113 . . . . 54.13 115.363 -171.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 m -70.48 -33.89 71.76 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 117.705 0.23 . . . . 60.35 110.741 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.443 ' HB3' ' SG ' ' A' ' 63' ' ' CYS . 19.5 t -68.5 -31.6 70.99 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.071 0.548 . . . . 54.13 110.839 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.449 HG23 HD12 ' A' ' 56' ' ' LEU . 78.3 mt -57.23 -53.11 47.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.947 0 C-N-CA 123.755 0.822 . . . . 62.41 110.072 171.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.03 -46.92 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-N 114.698 -1.137 . . . . 74.52 110.563 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.5 m -65.05 -40.63 95.04 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.806 0.843 . . . . 74.45 111.503 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.71 -50.61 70.45 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.127 0.571 . . . . 74.4 109.897 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -38.89 72.2 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.155 1.382 . . . . 73.44 111.292 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -68.23 -39.9 82.17 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.792 0.837 . . . . 71.31 111.419 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.75 -46.03 92.94 Favored Glycine 0 C--N 1.346 1.086 0 O-C-N 123.431 0.457 . . . . 42.11 112.27 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.44 -42.92 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.069 0.947 . . . . 60.03 109.885 176.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.89 -55.86 28.02 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.957 -1.02 . . . . 71.35 111.272 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.64 -32.14 72.28 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.713 0.805 . . . . 74.45 111.349 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.456 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 45.6 ttp -62.64 -54.85 33.26 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.068 0.547 . . . . 74.11 110.158 171.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.534 ' HB3' HG21 ' A' ' 85' ' ' VAL . 83.6 mt -66.46 -27.55 67.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.044 0.937 . . . . 73.42 112.321 -175.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 97.7 mt-30 -81.32 -26.6 35.51 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.197 0.599 . . . . 65.14 111.216 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.96 -39.51 83.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 122.905 0.482 . . . . 74.43 109.936 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -86.82 -65.7 0.99 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.974 -0.557 . . . . 75.13 110.471 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.581 HD11 ' HG3' ' A' ' 22' ' ' MET . 46.3 mt -97.85 118.02 64.46 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 124.45 1.1 . . . . 62.23 110.873 -173.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 82' ' ' ILE . 7.6 Cg_exo -73.67 -14.5 24.54 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 123.074 2.516 . . . . 65.52 113.221 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.41 -27.66 64.45 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.218 0.607 . . . . 61.54 110.953 -176.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 78' ' ' LEU . 57.5 t -72.12 99.53 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 123.587 0.755 . . . . 73.0 110.482 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.96 -28.34 57.87 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 123.741 0.816 . . . . 63.23 110.64 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.2 -176.39 43.44 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 116.328 -0.396 . . . . 71.3 113.058 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.462 HG22 ' HB ' ' A' ' 52' ' ' VAL . 63.1 t -129.28 148.85 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.958 1.303 . . . . 64.2 107.981 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -130.15 142.5 50.58 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.18 0.592 . . . . 73.42 109.826 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.404 ' NE2' HG22 ' A' ' 61' ' ' THR . 42.6 tt0 -85.8 116.31 23.97 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.525 -0.917 . . . . 51.04 108.525 169.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 13.3 m . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 108.5 -0.926 . . . . 72.43 108.5 171.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 19.7 t70 . . . . . 0 CA--C 1.548 0.883 0 CA-C-O 120.476 0.179 . . . . 72.0 110.739 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.11 -43.98 96.42 Favored Glycine 0 C--N 1.349 1.285 0 N-CA-C 111.59 -0.604 . . . . 64.53 111.59 170.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 23' ' ' ILE . 76.3 t -60.5 -50.73 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.819 0.847 . . . . 71.24 109.507 172.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 64.7 t -58.16 -39.46 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.705 1.202 . . . . 63.43 112.194 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.26 -42.25 69.01 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.36 0.664 . . . . 71.31 110.974 -175.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.606 ' HG3' HD11 ' A' ' 82' ' ' ILE . 25.2 ptm -73.26 -23.98 60.39 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 119.057 -0.497 . . . . 61.14 110.969 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 19' ' ' VAL . 81.1 mt -64.09 -48.81 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 108.722 -0.844 . . . . 63.33 108.722 169.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -52.5 -45.03 66.03 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.964 0.905 . . . . 74.43 111.868 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.35 -38.94 55.17 Favored 'General case' 0 C--O 1.207 -1.145 0 CA-C-O 118.948 -0.549 . . . . 71.34 110.583 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.72 -28.89 70.19 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 118.355 0.525 . . . . 61.33 110.86 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -74.82 -54.91 6.45 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.225 -0.657 . . . . 65.33 109.225 171.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.97 -26.4 68.82 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.731 0.812 . . . . 74.01 112.858 -171.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.0 p -91.4 -52.33 4.84 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.651 0.78 . . . . 60.42 110.477 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -91.11 -49.85 6.17 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.54 0.57 . . . . 73.32 112.54 -169.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.8 mm -89.61 -59.09 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.023 0.529 . . . . 73.43 112.26 -168.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.428 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 50.1 mtp180 -49.53 -54.08 34.4 Favored Pre-proline 0 N--CA 1.49 1.552 0 CA-C-O 117.676 -1.154 . . . . 75.13 113.186 -173.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 44.3 Cg_exo -57.96 -37.12 97.27 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 121.939 1.759 . . . . 63.54 112.529 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.9 m -63.18 -46.74 85.7 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.827 0.851 . . . . 73.14 110.966 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.2 t -73.04 -27.67 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 116.1 -0.5 . . . . 62.14 110.325 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -72.8 -30.06 63.77 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.113 0.565 . . . . 75.23 111.411 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -78.12 -26.22 47.81 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.914 0.486 . . . . 63.22 110.028 171.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -72.65 -22.56 60.91 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.642 0.777 . . . . 41.24 110.663 170.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.03 -24.42 10.75 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 116.22 -0.445 . . . . 42.53 112.899 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.09 -153.46 29.88 Favored Glycine 0 C--N 1.348 1.218 0 N-CA-C 112.189 -0.364 . . . . 73.31 112.189 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.459 ' HB3' ' HG3' ' A' ' 57' ' ' GLN . 21.9 t0 -173.13 159.39 3.89 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.987 0.915 . . . . 72.51 109.215 177.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 m -125.77 126.09 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 107.631 -1.248 . . . . 72.32 107.631 176.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -116.69 126.51 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 108.351 -0.981 . . . . 72.11 108.351 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' OH ' HG13 ' A' ' 20' ' ' VAL . 84.0 t80 -67.46 114.25 5.98 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 122.656 0.382 . . . . 71.42 110.304 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.466 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 9.4 mmpt? -97.92 -43.16 7.21 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.638 0.775 . . . . 72.11 111.612 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.37 -176.57 41.97 Favored Glycine 0 C--N 1.349 1.285 0 C-N-CA 120.756 -0.735 . . . . 61.33 114.586 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -156.26 110.96 2.84 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.927 1.291 . . . . 74.21 107.618 176.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -139.41 124.61 18.95 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.979 0.512 . . . . 74.24 109.892 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 57.51 33.0 22.69 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.912 1.285 . . . . 72.55 111.885 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.53 2.3 82.46 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.594 -0.73 . . . . 62.33 113.963 178.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.4 mm -101.91 114.27 40.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.353 0.661 . . . . 70.12 109.955 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.532 ' HB ' HG22 ' A' ' 88' ' ' VAL . 33.1 t -81.7 110.33 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.783 0.833 . . . . 64.24 109.324 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.557 ' HB3' HG21 ' A' ' 91' ' ' VAL . 79.5 mt-30 -86.55 121.05 28.55 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.335 0.654 . . . . 74.13 109.853 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.6 mt -130.46 137.7 49.92 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.863 0.865 . . . . 75.44 111.47 -175.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -90.94 109.65 20.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.103 0.961 . . . . 74.31 109.523 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD12 HG23 ' A' ' 67' ' ' ILE . 30.7 mt -90.86 140.58 29.67 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.234 -0.654 . . . . 73.31 109.234 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.459 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 83.6 mm-40 -102.04 165.69 11.03 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.241 0.616 . . . . 71.22 112.287 -175.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.49 84.41 0.08 OUTLIER Glycine 0 C--N 1.356 1.643 0 CA-C-N 115.237 -0.892 . . . . 63.43 114.306 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t 176.56 -55.38 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.615 1.566 . . . . 54.11 107.924 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.3 p -75.32 -9.66 58.76 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.649 -1.16 . . . . 41.53 110.781 173.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -99.46 -1.93 37.31 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.231 1.013 . . . . 71.44 112.682 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.1 m -61.48 -21.8 64.51 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.308 0.855 . . . . 63.04 113.308 -171.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.3 p -146.34 148.37 34.28 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 123.397 0.679 . . . . 72.42 109.337 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.57 -27.31 81.61 Favored 'Trans proline' 0 C--N 1.385 2.468 0 C-N-CA 122.378 2.052 . . . . 73.52 111.77 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 m -56.72 -54.22 48.78 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.802 0.841 . . . . 64.34 111.382 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.9 p -68.19 -36.08 79.01 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.201 0.6 . . . . 73.12 111.937 -176.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 56' ' ' LEU . 76.1 mt -54.22 -53.77 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.536 0.735 . . . . 71.13 110.584 175.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.35 -41.1 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.016 -0.993 . . . . 74.41 110.954 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.2 m -64.07 -44.86 91.12 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.277 0.631 . . . . 74.4 111.537 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.18 -50.47 73.53 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.184 0.594 . . . . 73.13 109.843 174.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -34.78 69.37 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.691 1.196 . . . . 75.22 112.005 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -75.85 -42.0 50.82 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.403 0.681 . . . . 71.04 111.491 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.46 -40.76 99.17 Favored Glycine 0 C--N 1.347 1.193 0 N-CA-C 111.83 -0.508 . . . . 43.33 111.83 178.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.2 -45.2 99.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.938 0.895 . . . . 75.24 110.54 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.63 -47.54 85.75 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.636 0.585 . . . . 74.21 111.13 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -39.58 92.61 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.585 0.754 . . . . 73.55 111.22 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.6 ttp -61.12 -55.91 26.98 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.708 0.63 . . . . 71.22 110.205 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.593 ' HB3' HG21 ' A' ' 85' ' ' VAL . 95.9 mt -64.15 -32.58 74.21 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.693 0.797 . . . . 71.1 111.839 -176.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -68.39 -32.4 72.45 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.904 0.481 . . . . 74.54 111.362 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.63 -45.89 84.91 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.475 0.485 . . . . 73.41 110.681 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -83.56 -27.84 29.0 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.74 -0.664 . . . . 71.44 111.32 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.606 HD11 ' HG3' ' A' ' 22' ' ' MET . 81.5 mt -141.71 112.15 6.37 Favored Pre-proline 0 N--CA 1.484 1.267 0 C-N-CA 123.884 0.874 . . . . 54.1 110.023 -168.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.28 -11.65 22.95 Favored 'Trans proline' 0 C--N 1.372 1.816 0 C-N-CA 122.332 2.021 . . . . 71.43 112.755 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.89 -28.54 66.78 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.548 0.739 . . . . 74.22 111.109 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 78' ' ' LEU . 84.0 t -71.61 104.84 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 109.343 -0.614 . . . . 72.12 109.343 176.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -91.81 -31.6 15.68 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.281 1.033 . . . . 72.43 110.459 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.96 175.05 38.5 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 116.094 -0.503 . . . . 72.5 112.379 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 52' ' ' VAL . 82.9 t -131.58 142.81 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 108.152 -1.055 . . . . 71.25 108.152 173.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -124.75 143.06 50.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.267 1.027 . . . . 75.24 109.335 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -84.3 124.94 31.79 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.424 -0.954 . . . . 64.44 108.424 170.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 53' ' ' GLN . 6.2 m . . . . . 0 CA--C 1.541 0.628 0 C-N-CA 124.141 0.977 . . . . 64.22 108.733 172.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 CA--C 1.55 0.976 0 CA-C-O 119.785 -0.15 . . . . 73.4 110.64 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.36 -57.14 19.63 Favored Glycine 0 C--N 1.361 1.917 0 N-CA-C 113.901 0.32 . . . . 75.32 113.901 -172.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 23' ' ' ILE . 75.6 t -64.69 -39.18 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 117.095 0.447 . . . . 65.14 109.942 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.495 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 63.9 t -57.63 -38.64 65.47 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 123.951 0.901 . . . . 74.14 110.486 178.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.56 87.07 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.353 1.061 . . . . 72.31 112.069 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.441 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 24.2 ptm -72.78 -27.06 61.77 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.044 0.137 . . . . 73.04 111.188 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 19' ' ' VAL . 64.9 mt -65.98 -39.86 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 109.371 -0.603 . . . . 74.32 109.371 173.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 92.1 mttt -52.36 -46.23 66.08 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.45 0.7 . . . . 70.23 111.524 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 22' ' ' MET . 10.2 pt-20 -72.59 -46.02 56.33 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.579 0.55 . . . . 63.42 109.668 -176.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.42 -32.29 71.2 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.242 0.617 . . . . 75.03 111.555 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.6 mt -72.3 -54.99 7.9 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 109.633 -0.506 . . . . 72.22 109.633 173.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.8 -24.42 66.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.488 0.715 . . . . 71.54 112.558 -170.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.9 p -91.92 -52.95 4.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.788 0.835 . . . . 62.21 111.359 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.423 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 49.2 mtp180 -89.17 -50.81 5.92 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.878 0.471 . . . . 73.13 111.94 -173.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.7 mm -85.89 -65.17 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-O 118.801 -0.618 . . . . 74.01 111.53 -167.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 48.9 mtp180 -43.23 -56.27 6.83 Favored Pre-proline 0 N--CA 1.487 1.386 0 CA-C-O 117.313 -1.327 . . . . 54.33 113.442 -173.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 46.3 Cg_exo -56.91 -39.83 88.54 Favored 'Trans proline' 0 C--N 1.406 3.553 0 C-N-CA 122.304 2.002 . . . . 65.03 112.256 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.4 m -65.53 -44.11 87.91 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.81 0.844 . . . . 62.32 110.439 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 31' ' ' ILE . 14.1 t -70.66 -31.01 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.08 0.552 . . . . 64.31 110.518 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -67.14 -36.46 81.9 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.598 0.759 . . . . 71.45 110.815 176.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -73.26 -28.75 62.31 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.441 0.696 . . . . 72.03 110.632 173.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.04 -22.73 58.23 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.864 0.865 . . . . 72.14 111.179 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.68 -5.98 26.1 Favored Glycine 0 N--CA 1.473 1.139 0 CA-C-O 119.835 -0.425 . . . . 43.02 113.46 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.45 -151.59 14.07 Favored Glycine 0 N--CA 1.474 1.178 0 N-CA-C 111.473 -0.651 . . . . 65.22 111.473 173.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -174.7 162.32 3.3 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.659 1.183 . . . . 71.34 108.695 172.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG12 HD22 ' A' ' 56' ' ' LEU . 17.7 m -123.22 127.66 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 N-CA-C 107.653 -1.24 . . . . 73.41 107.653 176.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -119.06 128.6 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 107.754 -1.202 . . . . 64.4 107.754 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.62 123.75 25.42 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 109.554 -0.535 . . . . 73.22 109.554 -176.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.468 ' HA ' ' NZ ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -116.77 -33.29 4.85 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.787 0.835 . . . . 74.15 112.167 -172.558 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.23 176.65 48.13 Favored Glycine 0 C--N 1.347 1.15 0 C-N-CA 121.38 -0.438 . . . . 71.25 112.98 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -151.88 111.08 3.9 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.607 -1.257 . . . . 71.13 107.607 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -140.45 122.26 15.42 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.826 0.451 . . . . 62.14 110.337 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 64.97 20.13 12.03 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.781 1.232 . . . . 73.31 111.819 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.69 -3.06 57.39 Favored Glycine 0 C--N 1.344 1.005 0 CA-C-N 115.566 -0.743 . . . . 52.4 113.329 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.1 mm -96.07 109.85 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.139 0.576 . . . . 75.12 110.035 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.548 ' HB ' HG22 ' A' ' 88' ' ' VAL . 48.7 t -77.94 106.02 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.574 -0.899 . . . . 52.32 108.574 177.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -91.95 116.76 29.19 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.702 0.801 . . . . 74.21 110.04 -174.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -126.09 138.21 53.68 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.719 1.208 . . . . 70.45 110.438 -173.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -86.54 114.15 23.04 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.221 -1.029 . . . . 64.12 108.221 172.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.483 HD13 HD23 ' A' ' 70' ' ' LEU . 35.9 mt -93.53 137.98 32.26 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.238 -0.653 . . . . 74.32 109.238 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -96.38 167.6 11.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.787 0.835 . . . . 64.4 111.692 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.42 169.97 2.77 Favored Glycine 0 C--N 1.359 1.819 0 O-C-N 124.337 1.023 . . . . 22.22 115.212 -174.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.5 m 77.63 -58.79 0.47 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.796 1.638 . . . . 54.53 110.525 -173.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.71 ' SG ' HD22 ' A' ' 70' ' ' LEU . 39.1 t -68.41 -32.27 72.2 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.203 0.601 . . . . 72.11 110.885 176.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.409 ' HA ' HG12 ' A' ' 67' ' ' ILE . 64.8 p -82.16 -23.91 35.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.333 0.653 . . . . 60.14 111.79 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.9 m -64.66 -23.04 67.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.592 0.757 . . . . 73.33 111.428 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.1 m -115.8 114.33 41.92 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.058 0.943 . . . . 54.34 108.95 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.13 -34.8 88.83 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.032 2.488 . . . . 74.44 113.233 -174.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -70.27 -30.08 67.02 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.03 0.532 . . . . 75.44 111.148 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.0 m -71.28 -31.27 67.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.749 0.42 . . . . 33.52 111.456 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.409 HG12 ' HA ' ' A' ' 61' ' ' THR . 38.8 mt -63.7 -43.25 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 109.45 -0.574 . . . . 74.31 109.45 173.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.48 -56.41 17.88 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 C-N-CA 123.59 0.756 . . . . 55.22 110.56 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 m -59.49 -40.72 87.9 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.575 0.75 . . . . 72.24 111.217 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.71 HD22 ' SG ' ' A' ' 60' ' ' CYS . 60.5 tp -61.53 -61.91 2.19 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 123.768 0.667 . . . . 72.53 110.174 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -58.31 -42.07 85.89 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.422 1.076 . . . . 75.43 111.641 -174.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -65.93 -40.85 91.78 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.945 0.898 . . . . 75.21 111.483 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.05 -44.18 91.94 Favored Glycine 0 C--N 1.341 0.833 0 O-C-N 123.368 0.417 . . . . 41.14 112.184 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 70' ' ' LEU . 79.2 mt -58.02 -45.81 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.324 1.05 . . . . 74.45 109.662 174.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -59.93 -57.37 13.17 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 114.508 -1.224 . . . . 75.4 110.673 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -62.25 -33.11 73.97 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.994 0.809 . . . . 72.5 111.726 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.423 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 40.5 ttp -63.08 -53.72 49.28 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.128 0.571 . . . . 75.31 109.94 175.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.553 ' HB3' HG21 ' A' ' 85' ' ' VAL . 99.2 mt -66.99 -29.24 69.03 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.723 0.809 . . . . 71.54 111.292 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -71.72 -31.52 66.8 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.355 0.662 . . . . 73.13 110.86 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -64.78 -48.53 74.14 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.564 0.54 . . . . 74.3 110.339 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -79.71 -37.99 34.46 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.126 -0.943 . . . . 65.14 111.339 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.3 mt -127.1 112.78 21.71 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 123.84 0.856 . . . . 72.21 109.957 -165.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -72.94 -9.02 23.18 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 123.154 2.57 . . . . 73.35 112.915 177.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.53 -30.49 63.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.091 0.556 . . . . 74.13 110.839 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.553 HG21 ' HB3' ' A' ' 78' ' ' LEU . 97.7 t -73.73 99.12 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 123.716 0.806 . . . . 62.42 111.085 -175.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.16 -39.19 68.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.534 0.734 . . . . 74.35 110.548 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.31 -175.86 37.65 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.324 -0.853 . . . . 53.24 112.404 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.548 HG22 ' HB ' ' A' ' 52' ' ' VAL . 70.3 t -129.89 146.39 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.844 1.257 . . . . 74.42 107.887 174.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -135.99 141.46 44.4 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.215 0.606 . . . . 52.11 109.656 -177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -84.09 121.8 27.93 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 108.828 -0.805 . . . . 62.32 108.828 173.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.47 0.544 0 C-N-CA 124.296 1.038 . . . . 73.34 109.526 179.649 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 112.158 0.429 . . . . 73.54 112.158 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.44 -35.27 90.78 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 112.181 -0.368 . . . . 53.23 112.181 168.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 23' ' ' ILE . 98.8 t -62.5 -50.0 81.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.588 0.755 . . . . 73.41 109.637 171.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.7 -34.05 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 C-N-CA 123.937 0.895 . . . . 72.35 111.022 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.47 -45.46 68.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.057 0.943 . . . . 70.55 111.605 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.429 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.3 ptm -72.8 -23.87 60.84 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 119.514 -0.279 . . . . 72.34 110.959 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 19' ' ' VAL . 88.6 mt -67.32 -45.51 85.82 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 N-CA-C 109.054 -0.721 . . . . 75.22 109.054 169.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -54.45 -42.33 70.47 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.194 0.598 . . . . 64.4 110.912 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.84 -52.25 52.05 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 124.066 0.854 . . . . 65.51 111.063 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.1 -36.68 77.97 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.579 0.752 . . . . 73.44 111.281 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.4 -49.64 58.62 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.801 -0.444 . . . . 64.43 109.801 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 26.7 t70 -66.47 -33.95 76.84 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.536 0.734 . . . . 45.33 112.665 -169.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.4 p -87.95 -46.93 8.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.081 0.552 . . . . 72.0 111.652 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -89.15 -54.0 4.31 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.24 0.616 . . . . 72.34 111.955 -169.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.9 mm -88.79 -57.04 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 115.939 -0.573 . . . . 74.24 111.216 -165.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 73.9 mtp180 -51.15 -55.48 27.98 Favored Pre-proline 0 N--CA 1.481 1.121 0 CA-C-O 117.416 -1.278 . . . . 74.41 112.914 -172.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.471 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 32.6 Cg_exo -59.77 -37.85 84.29 Favored 'Trans proline' 0 C--N 1.395 2.979 0 C-N-CA 122.328 2.019 . . . . 72.13 111.927 -175.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.2 m -60.86 -47.82 84.64 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.025 0.93 . . . . 44.04 110.743 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.651 HG13 ' SG ' ' A' ' 60' ' ' CYS . 40.4 t -72.38 -30.28 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 115.677 -0.692 . . . . 54.3 110.365 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 74.0 mt-30 -67.44 -38.87 85.18 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.638 0.775 . . . . 65.33 111.233 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 33' ' ' PRO . 45.5 mt-10 -71.19 -33.04 69.58 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.356 0.41 . . . . 63.34 109.914 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.76 -21.03 63.47 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.507 -0.77 . . . . 73.2 110.79 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.03 -13.13 11.38 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-O 120.092 -0.282 . . . . 74.03 113.281 172.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -103.66 -145.76 15.42 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-O 120.064 -0.298 . . . . 43.01 113.124 177.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t0 179.3 159.88 0.69 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.573 1.549 . . . . 74.42 108.385 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.6 m -123.05 120.86 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 108.521 -0.918 . . . . 72.44 108.521 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.463 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.4 mp -113.08 121.17 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 108.321 -0.992 . . . . 74.44 108.321 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.448 ' OH ' ' HB2' ' A' ' 47' ' ' PHE . 1.6 t80 -71.7 112.87 8.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.232 0.613 . . . . 75.41 109.642 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -97.73 -44.6 6.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.713 0.805 . . . . 72.03 111.967 -174.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.66 167.76 37.95 Favored Glycine 0 C--N 1.348 1.224 0 C-N-CA 120.572 -0.823 . . . . 73.13 114.802 -175.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.448 ' HB2' ' OH ' ' A' ' 44' ' ' TYR . 39.8 t80 -146.1 113.62 6.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.711 1.204 . . . . 74.1 108.067 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -146.96 124.0 11.41 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.248 0.619 . . . . 61.34 109.772 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 66.91 19.03 10.66 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.989 1.315 . . . . 62.33 111.938 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.58 -0.48 70.8 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 116.682 -0.235 . . . . 74.02 113.078 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.1 mm -92.93 112.13 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.6 0.76 . . . . 75.23 109.471 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.508 ' HB ' HG22 ' A' ' 88' ' ' VAL . 58.0 t -88.67 100.56 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.468 1.107 . . . . 71.42 109.077 -178.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.63 115.7 20.28 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.164 0.586 . . . . 75.44 109.457 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -120.3 141.02 50.39 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.126 0.97 . . . . 72.22 111.248 -176.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.6 ' HE2' ' NE2' ' A' ' 57' ' ' GLN . 79.0 tttt -90.89 108.14 19.65 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.706 1.202 . . . . 75.41 109.258 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.9 mt -91.56 132.12 36.52 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.174 -0.676 . . . . 74.05 109.174 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.6 ' NE2' ' HE2' ' A' ' 55' ' ' LYS . 76.9 mm-40 -95.27 175.37 6.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.214 0.606 . . . . 70.13 110.543 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.99 169.06 1.88 Allowed Glycine 0 C--N 1.353 1.498 0 O-C-N 124.04 0.837 . . . . 75.43 114.513 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.3 t 75.75 -52.43 0.63 Allowed 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.513 1.525 . . . . 72.23 110.4 -169.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.651 ' SG ' HG13 ' A' ' 35' ' ' VAL . 83.8 m -82.25 -50.13 9.32 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.319 0.647 . . . . 65.3 111.275 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 t -76.56 -13.33 60.09 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.735 0.414 . . . . 63.03 111.628 -175.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m -69.69 -22.33 63.42 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.912 0.885 . . . . 61.33 112.218 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 75.4 m -128.19 122.13 21.94 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 123.498 0.719 . . . . 74.43 109.216 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.511 ' HA ' HD12 ' A' ' 67' ' ' ILE . 28.6 Cg_endo -60.15 -23.54 74.01 Favored 'Trans proline' 0 C--N 1.383 2.365 0 C-N-CA 123.513 2.809 . . . . 70.01 112.777 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.2 p -62.31 -51.58 67.1 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.783 0.833 . . . . 63.35 110.105 172.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.5 m -70.94 -27.31 63.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.651 0.781 . . . . 52.34 111.75 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 64' ' ' PRO . 87.2 mt -61.53 -51.58 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.097 0.559 . . . . 73.44 109.983 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.54 -46.18 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 123.863 0.727 . . . . 54.13 110.63 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.4 m -63.18 -44.79 94.41 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.211 0.604 . . . . 71.41 111.494 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.0 tp -65.22 -46.56 80.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.814 0.445 . . . . 63.01 109.944 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -57.43 -43.76 84.14 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.125 0.97 . . . . 43.54 111.314 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -67.53 -42.73 82.25 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.397 1.079 . . . . 73.42 110.993 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.82 -47.52 89.7 Favored Glycine 0 C--N 1.344 1.004 0 O-C-N 123.658 0.599 . . . . 73.43 112.043 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.95 -40.72 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.871 0.869 . . . . 64.13 110.188 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -59.2 -56.83 17.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.613 0.765 . . . . 73.21 110.164 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -64.16 -30.93 71.96 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.629 0.581 . . . . 65.43 111.501 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -67.01 -48.81 67.27 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.678 0.391 . . . . 74.53 110.695 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.521 ' HB3' HG21 ' A' ' 85' ' ' VAL . 90.7 mt -66.59 -35.49 80.33 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.635 0.774 . . . . 71.41 111.198 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -73.01 -28.61 62.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.501 0.72 . . . . 74.31 111.157 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -64.13 -45.17 89.76 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.832 0.853 . . . . 74.24 110.465 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -90.73 -34.46 15.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.69 -0.686 . . . . 74.54 111.462 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.429 HD11 ' HG3' ' A' ' 22' ' ' MET . 42.1 mt -125.11 107.24 28.01 Favored Pre-proline 0 N--CA 1.482 1.167 0 C-N-CA 123.689 0.796 . . . . 60.53 109.912 -172.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.09 -11.61 30.73 Favored 'Trans proline' 0 C--N 1.369 1.634 0 C-N-CA 122.961 2.441 . . . . 70.33 113.071 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -70.21 -26.66 63.97 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.676 0.79 . . . . 65.34 112.046 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.521 HG21 ' HB3' ' A' ' 78' ' ' LEU . 85.7 t -73.57 120.6 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 123.188 0.595 . . . . 73.21 110.201 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -94.9 -31.99 13.43 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.192 0.997 . . . . 75.43 110.929 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.96 -178.22 41.37 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-N 116.325 -0.398 . . . . 52.42 113.289 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.508 HG22 ' HB ' ' A' ' 52' ' ' VAL . 63.1 t -131.26 134.68 60.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 124.941 1.296 . . . . 73.42 108.11 175.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -114.41 142.75 45.95 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.639 0.776 . . . . 75.23 109.628 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -85.71 125.13 32.97 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.577 -0.527 . . . . 65.01 109.577 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 11.6 m . . . . . 0 CA--C 1.554 1.12 0 N-CA-C 108.547 -0.909 . . . . 70.43 108.547 172.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.217 -0.608 0 CA-C-O 119.501 -0.285 . . . . 63.14 111.391 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.46 -36.88 86.48 Favored Glycine 0 C--N 1.351 1.383 0 C-N-CA 123.292 0.473 . . . . 52.45 113.217 168.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG13 HD13 ' A' ' 82' ' ' ILE . 76.0 t -60.56 -52.46 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.362 0.665 . . . . 62.44 109.518 171.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.525 HG12 ' HE3' ' A' ' 24' ' ' LYS . 88.1 t -60.54 -34.6 58.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 124.645 1.178 . . . . 65.11 110.755 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.52 -42.08 59.5 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.964 0.906 . . . . 72.31 110.818 -176.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.545 ' HG3' HD11 ' A' ' 82' ' ' ILE . 24.3 ptp -71.27 -31.22 67.23 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.004 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 19' ' ' VAL . 96.1 mt -58.35 -50.27 79.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 109.105 -0.702 . . . . 71.21 109.105 171.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HE3' HG12 ' A' ' 20' ' ' VAL . 96.8 mttt -54.69 -41.45 70.26 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.951 0.782 . . . . 74.35 112.718 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -74.4 -43.29 57.03 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 109.737 -0.468 . . . . 64.34 109.737 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.14 -33.46 75.5 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.838 0.855 . . . . 74.54 110.913 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 95.6 mt -65.37 -56.13 14.29 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 109.314 -0.624 . . . . 65.21 109.314 171.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.99 -32.27 73.92 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 116.15 -0.477 . . . . 62.32 112.269 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.2 p -90.33 -43.51 10.29 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.731 0.812 . . . . 64.15 111.88 -174.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -99.09 -54.1 3.07 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.484 0.179 . . . . 75.04 111.484 -175.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.7 mm -76.24 -62.85 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 118.744 -0.646 . . . . 50.3 111.267 -167.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -44.45 -51.72 19.46 Favored Pre-proline 0 N--CA 1.486 1.369 0 CA-C-O 116.931 -1.509 . . . . 73.01 113.171 -177.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 69.4 Cg_exo -51.32 -49.29 17.6 Favored 'Trans proline' 0 C--N 1.404 3.457 0 C-N-CA 122.509 2.14 . . . . 71.41 112.299 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.0 m -60.14 -44.25 95.1 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.218 1.007 . . . . 75.22 111.721 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' ILE . 17.4 t -69.77 -32.57 52.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 115.735 -0.666 . . . . 74.22 110.456 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -76.32 -18.87 58.72 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.754 0.822 . . . . 62.44 111.112 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 6.3 mm-40 -68.8 -34.59 75.78 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.286 -0.635 . . . . 65.12 109.286 169.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -79.58 -23.11 42.97 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.286 -0.87 . . . . 74.31 110.645 174.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.84 -10.6 34.75 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 119.96 -0.356 . . . . 55.02 112.596 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.15 -162.15 37.33 Favored Glycine 0 C--N 1.348 1.196 0 N-CA-C 111.789 -0.525 . . . . 61.41 111.789 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' HB3' ' HG3' ' A' ' 57' ' ' GLN . 26.2 t0 -166.85 162.81 16.15 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.246 0.618 . . . . 74.14 109.548 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 m -128.34 130.78 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.866 0.866 . . . . 63.0 109.488 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.545 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -115.28 129.09 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 107.69 -1.226 . . . . 71.34 107.69 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.448 ' OH ' HG13 ' A' ' 20' ' ' VAL . 74.5 t80 -72.18 128.2 34.94 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.821 -0.437 . . . . 64.15 109.821 176.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.576 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 9.7 mmpt? -113.14 -46.38 3.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.543 0.737 . . . . 73.41 111.323 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.44 -174.26 41.07 Favored Glycine 0 C--N 1.342 0.888 0 C-N-CA 120.266 -0.969 . . . . 72.15 113.965 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -155.93 109.89 2.79 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 106.345 -1.724 . . . . 71.34 106.345 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -138.0 123.71 19.86 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.077 -0.712 . . . . 71.44 109.077 -174.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 60.83 30.72 19.84 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.677 1.191 . . . . 62.45 111.107 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.1 2.86 85.6 Favored Glycine 0 C--N 1.347 1.194 0 CA-C-N 115.868 -0.606 . . . . 75.41 113.796 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.2 mm -104.36 116.81 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.324 0.65 . . . . 72.44 110.062 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.592 ' HB ' HG22 ' A' ' 88' ' ' VAL . 46.1 t -82.42 111.89 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 123.566 0.746 . . . . 61.05 109.6 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -87.15 120.81 28.82 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.143 0.577 . . . . 63.52 109.453 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.6 mt -126.77 136.72 52.78 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.25 0.62 . . . . 64.03 110.753 -177.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 79.5 tttt -87.25 110.26 20.06 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.437 -0.949 . . . . 65.22 108.437 172.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.6 mt -90.73 146.45 23.98 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.646 -0.872 . . . . 65.0 108.646 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.41 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 76.1 mm-40 -95.38 176.59 6.14 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.268 0.627 . . . . 62.43 111.104 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.41 166.41 20.88 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.42 -0.655 . . . . 33.44 112.116 172.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.5 t 76.31 -55.84 0.58 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.302 1.441 . . . . 61.35 110.318 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.533 ' HB2' HD22 ' A' ' 70' ' ' LEU . 27.8 p -74.66 -5.29 42.24 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 112.593 0.59 . . . . 74.43 112.593 177.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.487 ' HA ' HG12 ' A' ' 67' ' ' ILE . 21.6 p -109.52 8.58 25.22 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.767 0.827 . . . . 70.01 111.862 175.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -69.73 103.77 2.24 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 119.278 -0.392 . . . . 62.24 110.986 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 73.6 m 74.72 145.84 0.11 Allowed Pre-proline 0 N--CA 1.488 1.464 0 C-N-CA 125.206 1.403 . . . . 74.24 111.317 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -58.54 -41.29 66.12 Favored 'Trans proline' 0 C--N 1.384 2.423 0 C-N-CA 123.08 2.52 . . . . 72.15 112.799 -173.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -54.93 -40.23 69.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.689 0.796 . . . . 74.14 112.109 -177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.5 m -67.8 -40.4 83.9 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 123.544 0.527 . . . . 65.24 111.268 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.487 HG12 ' HA ' ' A' ' 61' ' ' THR . 45.7 mt -64.44 -41.33 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 122.977 0.511 . . . . 64.3 110.202 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.13 -49.99 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.882 0.873 . . . . 63.45 109.985 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.0 m -62.63 -40.32 96.6 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.542 0.737 . . . . 62.13 111.261 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.533 HD22 ' HB2' ' A' ' 60' ' ' CYS . 62.2 tp -66.31 -58.71 4.75 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.494 0.497 . . . . 65.04 109.964 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -56.14 -40.21 73.46 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.626 1.17 . . . . 54.31 111.52 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -73.71 -34.51 64.85 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.366 0.666 . . . . 61.12 111.732 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.01 -45.88 94.68 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 111.184 -0.766 . . . . 73.14 111.184 174.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.4 mt -63.7 -43.53 98.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.827 0.851 . . . . 61.44 109.918 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -58.68 -57.8 11.41 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.265 0.978 . . . . 65.23 110.554 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -63.97 -30.53 71.6 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.479 0.711 . . . . 75.33 111.585 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -67.12 -46.56 73.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 109.973 -0.38 . . . . 73.14 109.973 174.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.511 HD13 HG21 ' A' ' 52' ' ' VAL . 89.7 mt -68.9 -26.82 65.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.621 0.769 . . . . 72.44 111.671 178.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.4 mt-30 -80.52 -26.27 38.22 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.621 0.768 . . . . 71.41 110.467 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -66.86 -33.83 76.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.17 0.988 . . . . 74.11 110.482 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -94.95 -40.07 9.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.21 0.604 . . . . 73.2 111.324 177.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.545 HD11 ' HG3' ' A' ' 22' ' ' MET . 37.6 mt -127.04 115.14 21.93 Favored Pre-proline 0 N--CA 1.483 1.21 0 C-N-CA 123.345 0.658 . . . . 74.04 110.384 -170.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.85 -8.75 20.54 Favored 'Trans proline' 0 C--N 1.374 1.89 0 C-N-CA 122.764 2.309 . . . . 72.1 112.613 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.431 ' H ' HG22 ' A' ' 82' ' ' ILE . 16.1 mm-40 -76.86 -25.24 52.9 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.096 0.558 . . . . 71.55 111.32 179.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.449 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 84.6 t -72.03 97.78 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 N-CA-C 109.552 -0.536 . . . . 74.04 109.552 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -73.39 -28.86 62.24 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.517 0.727 . . . . 71.42 111.108 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -173.19 -177.2 42.26 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 121.514 -0.374 . . . . 51.2 113.489 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.592 HG22 ' HB ' ' A' ' 52' ' ' VAL . 77.8 t -132.52 139.73 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.991 1.317 . . . . 63.4 107.615 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -124.84 146.69 49.15 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 122.87 0.468 . . . . 70.54 110.297 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -84.75 127.21 34.0 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.482 -0.781 . . . . 72.14 109.016 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 24.0 m . . . . . 0 N--CA 1.474 0.757 0 C-N-CA 124.151 0.981 . . . . 73.34 108.553 170.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 111.753 0.279 . . . . 74.5 111.753 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.11 -35.44 92.08 Favored Glycine 0 C--N 1.349 1.301 0 N-CA-C 112.039 -0.424 . . . . 71.4 112.039 169.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.483 HG13 HG21 ' A' ' 82' ' ' ILE . 76.6 t -56.26 -54.61 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.725 0.81 . . . . 75.34 109.494 170.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -55.88 -42.42 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.358 1.463 . . . . 74.11 111.693 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.48 80.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.262 1.025 . . . . 65.15 111.3 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.4 ptm -76.99 -23.02 52.28 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 118.99 -0.528 . . . . 73.33 111.723 -177.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 19' ' ' VAL . 87.0 mt -62.95 -49.43 83.6 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 N-CA-C 108.31 -0.996 . . . . 72.15 108.31 171.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -52.29 -43.43 64.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.647 0.779 . . . . 61.2 111.553 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.91 -51.87 62.52 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.756 0.66 . . . . 74.33 110.295 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.56 -32.58 70.48 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.827 0.851 . . . . 73.14 111.424 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 92.6 mt -71.28 -56.52 5.87 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.114 -0.699 . . . . 73.52 109.114 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 24.7 t70 -61.66 -29.57 70.16 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.389 1.076 . . . . 75.42 112.727 -169.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.8 p -100.21 -24.9 14.44 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 112.687 0.625 . . . . 64.41 112.687 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -118.0 -57.03 2.13 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 122.581 0.353 . . . . 73.23 111.55 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.5 mm -77.99 -60.13 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.142 0.577 . . . . 61.03 111.086 -169.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 75.6 mtp180 -47.98 -51.77 45.25 Favored Pre-proline 0 CA--C 1.561 1.392 0 CA-C-O 116.874 -1.536 . . . . 71.34 112.125 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -54.63 -38.9 90.85 Favored 'Trans proline' 0 C--N 1.405 3.533 0 C-N-CA 122.557 2.171 . . . . 64.23 113.074 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.8 m -63.77 -46.39 85.47 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.311 0.644 . . . . 73.41 110.861 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 31' ' ' ILE . 6.0 t -70.03 -32.23 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 115.581 -0.736 . . . . 62.54 110.563 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -73.47 -31.17 63.62 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.363 0.665 . . . . 61.22 110.716 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -69.41 -33.52 73.12 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 122.741 0.416 . . . . 64.02 110.226 171.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.76 -23.19 61.56 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.502 0.721 . . . . 73.34 110.894 173.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.09 -27.15 6.51 Favored Glycine 0 C--N 1.342 0.903 0 N-CA-C 112.504 -0.238 . . . . 75.43 112.504 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.73 -148.24 20.54 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-O 120.085 -0.286 . . . . 72.45 113.187 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -174.39 159.17 3.0 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.51 1.124 . . . . 72.52 108.717 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.438 HG13 HG21 ' A' ' 35' ' ' VAL . 26.9 m -122.65 125.98 73.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 108.591 -0.892 . . . . 71.41 108.591 176.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.606 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.4 mp -110.93 125.78 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 N-CA-C 107.41 -1.33 . . . . 71.11 107.41 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -67.05 109.07 2.85 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.88 -0.415 . . . . 74.44 109.88 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HD2' ' HB2' ' A' ' 55' ' ' LYS . 8.9 mmpt? -88.49 -50.4 6.32 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.653 0.781 . . . . 73.44 110.335 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.81 -171.41 41.21 Favored Glycine 0 C--N 1.345 1.062 0 C-N-CA 120.625 -0.797 . . . . 62.35 114.068 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -147.05 111.9 5.37 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 106.981 -1.488 . . . . 74.12 106.981 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -132.78 114.64 14.36 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.287 0.635 . . . . 74.03 109.591 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 61.3 38.69 16.24 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.493 1.117 . . . . 75.42 111.317 171.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.45 -3.84 82.06 Favored Glycine 0 C--N 1.345 1.071 0 CA-C-N 115.513 -0.767 . . . . 64.24 114.045 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.5 mm -102.96 114.21 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.397 0.679 . . . . 62.35 110.822 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.566 ' HB ' HG22 ' A' ' 88' ' ' VAL . 44.3 t -81.91 108.36 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.546 -0.909 . . . . 72.13 108.546 176.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -96.94 125.82 41.64 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.078 0.551 . . . . 74.41 109.592 -175.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.5 mt -129.47 147.55 51.3 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.586 0.754 . . . . 74.25 110.914 -173.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.606 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 85.7 tttt -88.64 110.37 20.88 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.293 1.037 . . . . 63.11 109.266 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.9 mt -87.02 135.79 33.15 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 109.35 -0.611 . . . . 73.01 109.35 177.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -95.53 174.97 6.74 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.705 0.802 . . . . 65.24 110.576 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.75 157.37 5.51 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 119.368 -0.684 . . . . 43.22 112.824 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.5 t 77.78 -66.92 0.21 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.329 1.451 . . . . 72.2 109.544 -167.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.7 p -68.9 -22.29 64.18 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.28 0.474 . . . . 64.35 112.28 -175.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.449 ' HA ' HG12 ' A' ' 67' ' ' ILE . 12.2 t -105.23 3.26 29.89 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.895 0.478 . . . . 74.31 111.926 176.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.9 t -71.84 -58.57 3.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.085 0.554 . . . . 71.14 111.166 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 74.8 m -94.2 139.01 22.36 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.066 0.546 . . . . 62.13 110.466 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -60.23 -37.33 83.75 Favored 'Trans proline' 0 C--N 1.383 2.347 0 C-N-CA 123.515 2.81 . . . . 70.32 112.987 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -68.18 -35.41 77.98 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.103 0.561 . . . . 74.13 110.504 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.3 m -63.3 -42.35 99.05 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.195 0.598 . . . . 54.34 111.219 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.449 HG12 ' HA ' ' A' ' 61' ' ' THR . 84.9 mt -58.22 -52.37 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.269 1.028 . . . . 74.25 111.135 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.76 -42.01 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 O-C-N 123.609 0.568 . . . . 61.24 111.144 -174.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 84.8 m -57.17 -45.15 83.91 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.41 0.684 . . . . 52.11 110.81 176.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 74' ' ' ILE . 43.2 tp -64.42 -53.25 51.34 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.434 -0.803 . . . . 72.23 110.076 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -55.44 -40.46 71.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.902 1.281 . . . . 74.14 111.693 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -69.63 -44.71 70.1 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.145 0.978 . . . . 74.25 111.103 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.28 -46.8 93.71 Favored Glycine 0 CA--C 1.533 1.173 0 O-C-N 123.185 0.303 . . . . 34.04 112.644 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 70' ' ' LEU . 60.3 mt -60.56 -44.55 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.215 1.006 . . . . 75.14 109.681 175.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.404 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 8.5 tt0 -55.41 -61.6 2.23 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.408 1.083 . . . . 71.3 111.283 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -60.94 -36.43 79.33 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 123.884 0.74 . . . . 51.44 112.179 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -64.36 -50.49 67.51 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.618 0.367 . . . . 73.04 110.219 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.545 ' HB3' HG21 ' A' ' 85' ' ' VAL . 86.7 mt -61.78 -39.64 92.4 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.45 0.7 . . . . 70.51 111.176 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.5 mt-30 -65.6 -34.45 78.26 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.799 0.84 . . . . 73.31 111.392 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.5 -30.72 71.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.88 0.872 . . . . 74.32 111.092 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -102.65 -27.02 12.98 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.295 0.638 . . . . 74.54 111.868 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.483 HG21 HG13 ' A' ' 19' ' ' VAL . 61.9 mt -135.89 114.29 10.95 Favored Pre-proline 0 N--CA 1.488 1.444 0 C-N-CA 123.958 0.903 . . . . 63.4 110.478 -168.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -76.81 -9.55 18.26 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.813 2.342 . . . . 73.13 113.469 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -72.38 -27.62 62.49 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.726 0.411 . . . . 72.03 111.06 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 78' ' ' LEU . 94.0 t -74.18 101.52 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 108.865 -0.791 . . . . 63.12 108.865 177.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -84.81 -24.07 28.84 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.901 -1.045 . . . . 62.53 110.15 174.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.404 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -178.55 -178.52 47.96 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 116.275 -0.42 . . . . 72.33 112.745 176.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' A' ' 52' ' ' VAL . 76.6 t -126.98 152.45 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.278 1.431 . . . . 74.32 108.029 174.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -143.73 147.7 34.6 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.071 0.548 . . . . 73.25 110.21 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -85.05 131.73 34.42 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.914 0.886 . . . . 64.24 110.396 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 4.7 m . . . . . 0 N--CA 1.471 0.591 0 N-CA-C 106.741 -1.577 . . . . 53.14 106.741 164.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 110.386 -0.227 . . . . 72.23 110.386 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.32 173.67 53.96 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 114.065 0.386 . . . . 63.25 114.065 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -76.07 76.92 2.92 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.922 0.889 . . . . 74.11 109.297 176.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -130.75 -68.45 0.68 Allowed 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.89 -1.522 . . . . 73.24 106.89 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 42.7 m80 59.14 20.54 8.52 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 125.039 1.336 . . . . 62.33 112.804 171.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -110.47 134.35 52.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.207 1.003 . . . . 54.2 109.385 -175.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -117.19 122.26 43.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.566 0.746 . . . . 75.54 109.469 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -70.5 -38.07 74.28 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.916 0.886 . . . . 71.11 109.351 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.2 t -136.6 168.67 19.05 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-N 115.111 -0.949 . . . . 65.52 109.637 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -151.43 137.62 18.38 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.759 0.824 . . . . 72.5 110.347 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 88.0 mtp -83.9 177.49 8.29 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.996 0.918 . . . . 72.15 110.755 176.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.85 -74.11 2.33 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 110.901 -0.88 . . . . 73.52 110.901 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.8 p -84.42 79.07 9.69 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-O 121.825 0.821 . . . . 71.04 108.791 168.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -100.7 -173.9 2.51 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.398 1.079 . . . . 62.34 111.26 -174.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -64.31 103.22 0.61 Allowed 'General case' 0 C--O 1.242 0.687 0 CA-C-N 115.656 -0.702 . . . . 73.42 110.243 173.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 t0 59.35 74.05 0.46 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.091 1.357 . . . . 74.32 109.538 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.433 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 5.9 p-10 -65.5 -16.21 63.44 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.758 -0.656 . . . . 74.15 111.274 -177.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.18 -50.91 57.22 Favored Glycine 0 C--N 1.353 1.522 0 N-CA-C 111.676 -0.57 . . . . 75.2 111.676 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.442 HG13 HG21 ' A' ' 82' ' ' ILE . 41.0 t -63.92 -51.56 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 123.519 0.728 . . . . 75.21 110.129 174.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.433 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 53.2 t -53.13 -46.15 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.494 1.118 . . . . 74.21 112.02 -176.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.55 81.89 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.668 0.787 . . . . 51.32 111.851 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.516 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.2 ptm -74.96 -23.07 58.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 119.295 -0.383 . . . . 73.14 110.956 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 19' ' ' VAL . 82.2 mt -66.53 -44.93 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 108.972 -0.751 . . . . 52.51 108.972 170.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -52.59 -43.39 65.28 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.957 0.785 . . . . 75.21 111.965 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.74 -40.35 55.63 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-O 119.127 -0.464 . . . . 71.11 109.878 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.89 -29.59 68.43 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.709 0.804 . . . . 71.13 111.15 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.88 -57.09 4.05 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.224 -0.658 . . . . 73.32 109.224 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -59.94 -32.43 70.78 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.645 0.778 . . . . 71.43 113.068 -169.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.7 p -90.53 -46.96 7.99 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.769 0.827 . . . . 73.14 111.416 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -98.97 -47.38 5.27 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.08 0.552 . . . . 73.41 112.388 -168.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.437 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.5 mm -88.27 -63.75 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.06 0.544 . . . . 72.05 111.773 -170.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 55.9 mtp180 -43.61 -53.41 12.17 Favored Pre-proline 0 N--CA 1.492 1.658 0 CA-C-O 117.584 -1.198 . . . . 64.33 113.242 -175.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 71.3 Cg_exo -52.1 -46.62 31.38 Favored 'Trans proline' 0 C--N 1.398 3.156 0 C-N-CA 122.337 2.025 . . . . 54.33 113.23 177.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.9 m -60.77 -47.68 85.24 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.89 0.876 . . . . 73.22 111.049 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.651 HG13 ' SG ' ' A' ' 60' ' ' CYS . 15.0 t -65.38 -38.85 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 115.489 -0.778 . . . . 74.13 110.441 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -68.28 -32.25 72.27 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.707 0.803 . . . . 73.01 111.642 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 32.8 mm-40 -65.92 -31.72 72.81 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.894 0.478 . . . . 73.52 110.797 174.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -80.74 -22.28 40.37 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.409 -0.36 . . . . 74.22 110.998 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.37 36.36 2.49 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 116.061 -0.518 . . . . 73.34 112.342 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -139.19 -153.29 6.08 Favored Glycine 0 C--N 1.339 0.697 0 N-CA-C 111.238 -0.745 . . . . 72.25 111.238 174.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.407 ' N ' ' HB2' ' A' ' 57' ' ' GLN . 30.0 t0 -175.55 163.45 2.94 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.339 1.056 . . . . 75.01 109.366 174.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.0 m -119.9 122.34 68.35 Favored 'Isoleucine or valine' 0 C--O 1.246 0.904 0 N-CA-C 108.511 -0.922 . . . . 65.43 108.511 174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.464 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 2.3 mp -104.02 119.43 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 107.864 -1.161 . . . . 74.43 107.864 178.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -68.6 108.64 3.42 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 123.616 0.572 . . . . 74.3 110.479 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 10.6 mmpt? -88.48 -36.15 16.62 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.738 0.815 . . . . 74.41 110.69 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 164.21 -171.61 39.8 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 121.589 -0.339 . . . . 61.24 113.706 174.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -140.89 110.83 6.53 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 106.373 -1.714 . . . . 71.42 106.373 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -143.77 123.29 13.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.247 -0.649 . . . . 75.44 109.247 -171.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 t70 65.26 23.92 12.2 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.961 1.304 . . . . 74.2 111.484 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.23 6.43 81.47 Favored Glycine 0 C--N 1.347 1.16 0 CA-C-N 115.716 -0.675 . . . . 55.11 113.246 -176.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.0 mm -106.2 113.62 43.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 123.475 0.71 . . . . 54.2 109.549 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.578 ' HB ' HG22 ' A' ' 88' ' ' VAL . 36.5 t -79.96 105.42 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.563 -0.902 . . . . 75.14 108.563 174.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -87.66 121.66 30.37 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 108.88 -0.785 . . . . 74.42 108.88 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.7 mt -130.74 137.82 49.67 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.319 1.048 . . . . 73.42 110.075 -176.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 87.0 tttt -90.23 122.52 33.24 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.717 -0.846 . . . . 71.21 108.717 171.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.4 mt -96.34 138.03 34.53 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.686 -0.487 . . . . 73.12 109.686 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.407 ' HB2' ' N ' ' A' ' 41' ' ' ASP . 83.8 mm-40 -96.5 175.73 6.3 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.926 0.891 . . . . 73.11 110.408 175.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' HA2' HG22 ' A' ' 61' ' ' THR . . . -55.24 171.88 1.33 Allowed Glycine 0 C--N 1.351 1.367 0 N-CA-C 116.255 1.262 . . . . 70.42 116.255 -172.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 m 71.4 -63.09 0.43 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.637 1.575 . . . . 73.11 110.762 -172.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.651 ' SG ' HG13 ' A' ' 35' ' ' VAL . 63.9 m -65.11 -42.81 93.6 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.857 0.863 . . . . 45.22 111.894 175.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.494 ' HA ' HG12 ' A' ' 67' ' ' ILE . 6.6 t -85.26 -16.2 40.92 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.44 0.296 . . . . 65.42 111.338 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.3 m -71.3 -40.52 70.79 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.87 0.468 . . . . 54.53 110.959 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.6 m -97.32 121.47 58.55 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 123.245 0.618 . . . . 54.23 109.627 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -58.01 -35.97 98.38 Favored 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 123.659 2.906 . . . . 64.15 113.268 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 m -63.68 -43.07 97.74 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.231 0.612 . . . . 75.32 110.643 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.1 m -67.76 -29.82 69.13 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.968 0.907 . . . . 62.54 111.668 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.494 HG12 ' HA ' ' A' ' 61' ' ' THR . 78.0 mt -61.06 -51.13 76.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.028 0.531 . . . . 74.2 110.062 173.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.9 mt -65.34 -44.45 94.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.868 0.73 . . . . 65.44 110.401 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.4 m -63.58 -45.4 90.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.731 0.812 . . . . 75.41 111.146 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.81 -51.13 61.52 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.561 0.538 . . . . 72.42 110.2 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.76 -44.56 77.75 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.111 0.964 . . . . 74.32 110.806 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -69.33 -38.77 78.36 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.736 0.815 . . . . 74.44 111.942 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.8 -47.61 84.67 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 111.865 -0.494 . . . . 52.24 111.865 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.1 mt -61.41 -46.57 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.801 0.84 . . . . 65.5 109.605 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.445 ' NE2' ' HA2' ' A' ' 87' ' ' GLY . 63.5 tt0 -56.48 -55.82 28.88 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.326 1.016 . . . . 74.31 111.089 -177.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.42 HD22 ' N ' ' A' ' 76' ' ' ASN . 0.8 OUTLIER -62.62 -38.1 88.89 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.747 0.819 . . . . 62.03 111.31 -176.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.9 ttp -61.86 -49.06 77.78 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.14 0.576 . . . . 62.42 110.645 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.547 HD13 HG21 ' A' ' 52' ' ' VAL . 94.4 mt -66.25 -38.67 88.41 Favored 'General case' 0 C--O 1.212 -0.916 0 C-N-CA 123.953 0.901 . . . . 73.34 111.041 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.9 mt-30 -67.8 -30.51 69.95 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.541 0.736 . . . . 75.3 111.198 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.77 -47.88 84.33 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 123.891 0.745 . . . . 74.02 110.534 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -88.41 -30.35 19.55 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.436 0.694 . . . . 74.1 111.151 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.516 HD11 ' HG3' ' A' ' 22' ' ' MET . 46.1 mt -131.27 94.0 28.26 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 124.401 1.08 . . . . 72.13 108.965 -169.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.08 -3.41 12.81 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 122.509 2.139 . . . . 75.32 112.986 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -69.9 -28.88 65.99 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.997 0.919 . . . . 74.34 110.059 173.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 78' ' ' LEU . 69.4 t -70.83 106.23 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.659 0 N-CA-C 108.964 -0.754 . . . . 71.25 108.964 174.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -92.0 -33.52 14.8 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.388 0.675 . . . . 64.22 109.737 172.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.445 ' HA2' ' NE2' ' A' ' 75' ' ' GLN . . . -151.47 167.97 30.9 Favored Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.797 -0.638 . . . . 71.12 113.122 -177.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.578 HG22 ' HB ' ' A' ' 52' ' ' VAL . 61.4 t -132.81 136.74 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 106.908 -1.516 . . . . 53.53 106.908 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -125.3 131.58 53.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.112 0.565 . . . . 61.54 110.184 -171.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -84.29 108.66 17.27 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.288 -1.004 . . . . 75.21 108.288 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.3 m -112.64 110.32 31.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 124.028 0.931 . . . . 65.43 109.176 176.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 21.8 ptp -78.13 85.07 4.34 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.011 -1.107 . . . . 75.2 108.011 175.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -98.68 91.41 5.1 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 114.704 -1.135 . . . . 73.3 109.218 -174.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -157.66 112.9 2.74 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 109.058 -0.719 . . . . 74.34 109.058 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.37 11.23 2.52 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 113.446 0.906 . . . . 53.11 113.446 -169.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 83.6 p -73.47 -27.96 61.69 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 118.14 0.427 . . . . 72.35 110.297 171.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 C--O 1.252 1.187 0 CA-C-N 115.351 -0.84 . . . . 70.2 108.872 173.013 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 108.984 -0.747 . . . . 63.32 108.984 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.77 99.46 1.37 Allowed Glycine 0 C--N 1.344 0.991 0 O-C-N 123.734 0.646 . . . . 63.01 111.75 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.497 ' HB2' ' HB3' ' A' ' 7' ' ' HIS . 16.2 m-70 -73.97 110.75 8.5 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.325 -0.991 . . . . 61.54 108.325 174.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -64.62 -35.58 81.46 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.931 0.892 . . . . 73.4 112.53 -168.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -94.53 -82.75 0.36 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.559 -0.534 . . . . 75.33 109.559 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -91.66 113.06 25.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.977 0.911 . . . . 71.43 109.968 -172.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 3' ' ' HIS . 8.3 p80 -151.75 132.02 13.66 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.25 -1.018 . . . . 64.13 108.25 173.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -74.49 110.34 8.71 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.45 -0.574 . . . . 74.15 109.45 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.0 t -77.79 -38.0 47.59 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 109.102 -0.703 . . . . 72.13 109.102 174.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -140.6 98.62 3.45 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.71 1.204 . . . . 71.2 108.214 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.1 ttt -76.67 83.13 3.31 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.651 -0.87 . . . . 75.44 108.651 173.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.28 168.33 36.49 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 114.426 -1.261 . . . . 42.31 110.342 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.5 t -151.67 29.05 0.61 Allowed 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 116.965 0.383 . . . . 44.13 111.367 -168.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.34 145.59 55.54 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 109.769 -0.456 . . . . 75.22 109.769 -177.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 79.88 0.27 Allowed 'General case' 0 CA--C 1.558 1.269 0 CA-C-O 122.373 1.082 . . . . 60.31 109.337 176.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -75.23 166.15 24.08 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-N 114.982 -1.008 . . . . 73.54 111.179 -168.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -65.13 -15.31 62.27 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 114.359 -1.291 . . . . 71.41 112.077 -176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.38 -45.43 93.34 Favored Glycine 0 C--N 1.357 1.728 0 N-CA-C 112.003 -0.439 . . . . 63.33 112.003 174.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 23' ' ' ILE . 59.4 t -64.49 -52.49 54.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.518 0.727 . . . . 60.35 110.158 175.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -59.93 -43.41 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.287 1.035 . . . . 72.43 111.58 -174.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.84 -44.02 78.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.598 0.759 . . . . 64.11 111.367 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.431 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.8 ptm -70.48 -30.1 66.81 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 119.071 -0.49 . . . . 70.55 110.742 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 19' ' ' VAL . 72.7 mt -63.4 -48.05 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 109.136 -0.69 . . . . 72.52 109.136 172.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -53.26 -47.9 68.71 Favored 'General case' 0 C--N 1.362 1.109 0 O-C-N 123.927 0.767 . . . . 73.32 111.297 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -72.62 -41.39 65.6 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 123.77 0.669 . . . . 62.43 110.705 -174.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 22' ' ' MET . 83.9 mt -60.06 -36.28 76.99 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.946 0.499 . . . . 74.13 110.634 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.7 mt -71.3 -52.02 21.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.813 -0.63 . . . . 63.41 109.753 174.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.36 -24.54 66.52 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.534 0.734 . . . . 54.31 112.806 -169.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.3 p -96.59 -40.8 8.85 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.387 0.675 . . . . 71.43 111.794 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HD2' ' SD ' ' A' ' 77' ' ' MET . 40.8 mtt180 -98.5 -54.5 3.02 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.843 0.457 . . . . 72.4 111.648 -172.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.9 mm -86.29 -60.19 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 116.129 -0.487 . . . . 71.41 110.929 -166.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 71.1 mtp180 -47.1 -52.35 34.89 Favored Pre-proline 0 N--CA 1.488 1.432 0 CA-C-O 117.175 -1.393 . . . . 61.44 112.5 -176.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.402 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 52.6 Cg_exo -55.49 -43.37 58.75 Favored 'Trans proline' 0 C--N 1.408 3.669 0 C-N-CA 122.458 2.106 . . . . 72.13 112.635 178.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.0 m -59.66 -47.94 83.63 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.055 0.942 . . . . 72.12 110.938 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.731 HG13 ' SG ' ' A' ' 60' ' ' CYS . 24.4 t -71.59 -33.52 49.46 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.013 0 CA-C-N 114.965 -1.016 . . . . 73.03 110.224 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -66.54 -38.61 87.5 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.8 0.84 . . . . 73.21 110.755 176.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -69.68 -28.69 66.07 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.138 0.575 . . . . 74.43 110.495 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -77.6 -22.13 51.29 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.712 0.805 . . . . 74.52 110.828 176.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.67 8.78 22.22 Favored Glycine 0 N--CA 1.476 1.364 0 CA-C-O 120.065 -0.297 . . . . 60.15 113.721 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.14 -145.09 7.34 Favored Glycine 0 N--CA 1.47 0.941 0 CA-C-O 119.682 -0.51 . . . . 65.31 112.105 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -179.29 161.03 1.06 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.466 1.507 . . . . 74.14 108.956 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.2 m -124.57 118.5 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 N-CA-C 108.238 -1.023 . . . . 64.2 108.238 173.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -106.25 120.55 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 108.261 -1.014 . . . . 72.44 108.261 -176.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -66.46 109.77 2.87 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.503 -0.554 . . . . 73.44 109.503 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 10.6 mmpt? -90.07 -38.36 13.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.296 0.639 . . . . 72.1 110.23 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 170.96 -171.42 43.86 Favored Glycine 0 C--N 1.347 1.143 0 C-N-CA 121.101 -0.571 . . . . 75.32 113.675 177.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -144.68 111.09 5.6 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 106.502 -1.666 . . . . 55.1 106.502 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -124.86 133.51 53.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.249 -1.019 . . . . 75.44 108.249 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 67.67 -81.65 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 125.009 1.324 . . . . 73.21 109.817 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.89 15.79 0.36 Allowed Glycine 0 C--N 1.343 0.939 0 C-N-CA 123.814 0.721 . . . . 53.42 111.304 175.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.6 mm -108.19 116.01 50.47 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 C-N-CA 124.028 0.931 . . . . 70.24 108.774 -174.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.549 ' HB ' HG22 ' A' ' 88' ' ' VAL . 46.9 t -78.73 103.59 5.85 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 N-CA-C 108.012 -1.107 . . . . 75.21 108.012 175.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -88.6 114.71 25.5 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 115.44 -0.8 . . . . 73.11 109.674 -174.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.0 mt -121.74 139.26 53.81 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.23 1.012 . . . . 73.12 110.618 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.554 ' HE2' ' NE2' ' A' ' 57' ' ' GLN . 83.4 tttt -88.6 114.42 25.2 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.173 0.989 . . . . 72.23 108.49 173.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.613 HD13 HD23 ' A' ' 70' ' ' LEU . 25.0 mt -95.92 134.63 38.68 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.085 -0.709 . . . . 73.13 109.085 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.554 ' NE2' ' HE2' ' A' ' 55' ' ' LYS . 81.6 mm-40 -95.23 174.43 7.06 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.699 0.8 . . . . 64.31 110.218 178.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.48 174.33 3.91 Favored Glycine 0 C--N 1.361 1.929 0 O-C-N 124.329 1.018 . . . . 53.24 113.945 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.0 t 76.76 -55.11 0.57 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.418 1.487 . . . . 64.44 111.048 -176.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.731 ' SG ' HG13 ' A' ' 35' ' ' VAL . 85.8 m -78.79 -27.87 44.57 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.376 0.671 . . . . 74.21 111.464 176.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.2 p -77.7 -18.31 56.75 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.704 0.402 . . . . 74.4 111.662 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.9 m -60.84 119.11 7.58 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.353 0.661 . . . . 53.14 109.873 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.4 m 68.45 121.6 0.03 OUTLIER Pre-proline 0 CA--C 1.56 1.364 0 C-N-CA 125.327 1.451 . . . . 73.44 111.103 -174.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.467 ' HA ' HD12 ' A' ' 67' ' ' ILE . 85.7 Cg_exo -50.57 -26.41 16.75 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 123.811 3.007 . . . . 51.24 114.329 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.3 t -56.71 -47.66 79.45 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.24 1.016 . . . . 64.13 110.851 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.0 m -72.11 -28.39 63.26 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.232 0.613 . . . . 74.23 111.962 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 64' ' ' PRO . 66.4 mt -65.37 -43.21 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.416 0.686 . . . . 73.05 110.395 173.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.09 -45.81 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.638 0.775 . . . . 63.41 109.7 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.4 m -63.39 -40.8 98.2 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.781 0.832 . . . . 72.15 111.375 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.613 HD23 HD13 ' A' ' 56' ' ' LEU . 28.9 tp -67.37 -48.23 68.06 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 122.943 0.497 . . . . 65.41 109.997 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -55.09 -46.74 75.5 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.865 0.866 . . . . 74.11 110.869 175.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -68.47 -48.76 63.66 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 124.732 1.27 . . . . 74.1 111.161 -168.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.31 -46.63 90.17 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 123.824 0.703 . . . . 54.31 112.509 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.72 -43.44 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.902 0.881 . . . . 74.55 110.526 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.14 -50.72 69.32 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.333 -0.849 . . . . 61.11 110.438 -176.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -59.0 -36.73 75.42 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.018 0.824 . . . . 54.13 111.242 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.434 ' SD ' ' HD2' ' A' ' 30' ' ' ARG . 54.6 ttp -64.41 -57.3 9.67 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.261 0.624 . . . . 73.44 110.218 178.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 85' ' ' VAL . 97.2 mt -66.63 -28.25 68.34 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.743 0.817 . . . . 72.41 112.069 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.3 mt-30 -75.76 -35.41 60.17 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.015 0.526 . . . . 74.35 110.664 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -62.34 -49.33 76.0 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.752 0.821 . . . . 74.32 109.737 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -79.85 -36.39 36.79 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.628 -0.714 . . . . 73.33 111.985 -178.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.44 HG22 ' H ' ' A' ' 84' ' ' GLU . 19.4 mt -126.98 115.31 22.04 Favored Pre-proline 0 N--CA 1.488 1.44 0 C-N-CA 123.447 0.699 . . . . 75.11 110.667 -169.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.17 -9.79 26.13 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 123.041 2.494 . . . . 75.32 113.679 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' H ' HG22 ' A' ' 82' ' ' ILE . 8.8 mm-40 -76.38 -28.52 56.78 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.27 0.628 . . . . 75.23 110.779 -178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 78' ' ' LEU . 98.3 t -73.99 99.86 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 123.372 0.669 . . . . 34.35 110.179 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -77.83 -33.38 52.35 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.663 0.785 . . . . 62.34 110.015 173.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.93 179.51 40.66 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 116.233 -0.44 . . . . 65.52 112.938 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.549 HG22 ' HB ' ' A' ' 52' ' ' VAL . 52.7 t -133.53 135.99 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 124.613 1.165 . . . . 71.45 108.375 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -122.26 154.17 37.91 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.122 0.569 . . . . 54.24 110.578 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -94.93 108.25 20.29 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.334 -0.987 . . . . 62.24 108.334 167.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.446 HG23 ' HG3' ' A' ' 45' ' ' LYS . 3.7 m -102.51 110.68 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.261 -1.015 . . . . 74.13 108.261 169.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 96.1 mmm -80.6 87.99 5.73 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 115.442 -0.799 . . . . 74.42 110.195 -176.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.406 ' HB3' ' HD2' ' A' ' 55' ' ' LYS . 13.9 t70 -82.6 67.59 8.71 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 114.674 -1.148 . . . . 52.44 108.291 171.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -94.0 126.35 39.16 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.759 -0.655 . . . . 73.04 109.38 -177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -70.02 -37.56 75.66 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 109.105 -0.702 . . . . 74.32 109.105 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.9 m -142.28 152.84 43.4 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.419 1.087 . . . . 63.23 109.263 176.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 N--CA 1.483 1.205 0 C-N-CA 124.03 0.932 . . . . 74.23 109.892 177.497 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 110.291 -0.262 . . . . 74.13 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.43 124.2 0.77 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 109.744 -1.342 . . . . 74.0 109.744 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -73.78 93.52 2.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.202 0.601 . . . . 63.42 110.945 -174.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -111.47 95.71 5.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.546 0.689 . . . . 74.5 109.912 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -145.55 39.05 1.15 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.891 0.876 . . . . 65.12 110.305 -176.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -128.87 -39.68 1.58 Allowed 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 115.32 -0.855 . . . . 65.44 109.62 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -156.72 114.26 3.18 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.169 -0.923 . . . . 73.32 108.921 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -90.32 136.77 32.85 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.023 0.439 . . . . 44.51 109.851 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -148.08 151.65 36.03 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 124.844 1.257 . . . . 73.33 108.236 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 61.3 64.83 1.04 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.887 0.875 . . . . 75.42 109.853 -173.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -139.43 169.5 17.63 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 114.342 -1.299 . . . . 75.1 109.625 -174.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.77 -19.12 76.2 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 116.102 -0.499 . . . . 64.42 112.46 176.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.9 m -73.73 114.81 12.42 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 123.67 0.788 . . . . 64.11 110.176 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -160.4 36.84 0.17 Allowed 'General case' 0 C--O 1.244 0.804 0 C-N-CA 124.45 1.1 . . . . 71.24 109.452 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG3' ' CE2' ' A' ' 47' ' ' PHE . 2.2 pm0 -56.81 152.98 11.56 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 114.858 -1.065 . . . . 73.31 111.167 176.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.01 141.06 23.32 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.697 1.199 . . . . 75.31 113.887 -164.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -72.25 -18.13 61.84 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 114.973 -1.012 . . . . 64.21 111.286 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.71 -34.5 66.67 Favored Glycine 0 C--N 1.349 1.281 0 N-CA-C 111.828 -0.509 . . . . 74.21 111.828 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 23' ' ' ILE . 47.4 t -64.78 -47.53 88.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 C-N-CA 123.105 0.562 . . . . 72.05 109.631 173.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 68.8 t -52.59 -46.78 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.296 1.039 . . . . 71.5 110.54 175.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.92 -45.69 91.77 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 124.347 1.029 . . . . 51.31 111.892 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.88 -28.46 61.57 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 119.326 -0.369 . . . . 65.14 111.56 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 19' ' ' VAL . 83.7 mt -63.43 -42.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 N-CA-C 109.027 -0.731 . . . . 73.34 109.027 173.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 98.9 mttt -52.91 -45.68 67.7 Favored 'General case' 0 C--N 1.36 1.038 0 O-C-N 124.169 0.918 . . . . 71.35 111.185 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.98 -41.05 37.29 Favored 'General case' 0 C--O 1.212 -0.921 0 O-C-N 123.639 0.587 . . . . 72.21 110.637 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.39 -29.14 65.82 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 118.32 0.509 . . . . 74.43 110.967 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.5 mt -78.54 -58.22 3.36 Favored 'General case' 0 C--O 1.218 -0.59 0 C-N-CA 123.11 0.564 . . . . 73.03 109.636 171.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.3 -31.4 72.0 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.162 0.801 . . . . 71.31 113.162 -167.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.6 p -91.71 -41.35 10.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.683 0.793 . . . . 64.1 111.382 -175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.3 mtp85 -100.71 -55.08 2.67 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.818 0.447 . . . . 74.44 111.263 -171.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.427 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.5 mm -84.48 -56.63 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.011 0.524 . . . . 63.21 111.673 -166.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -48.62 -51.39 53.19 Favored Pre-proline 0 N--CA 1.484 1.257 0 CA-C-O 117.416 -1.278 . . . . 71.3 112.282 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.514 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 75.5 Cg_exo -52.16 -43.35 53.8 Favored 'Trans proline' 0 C--N 1.409 3.721 0 C-N-CA 122.44 2.094 . . . . 74.23 112.324 176.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -62.84 -48.78 77.59 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.348 1.059 . . . . 73.13 111.512 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 31' ' ' ILE . 8.7 t -69.79 -31.49 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 115.872 -0.604 . . . . 72.14 110.588 -176.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -70.35 -29.71 66.46 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.621 0.768 . . . . 73.2 111.187 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 28.1 mm-40 -68.97 -33.33 73.52 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 121.156 0.503 . . . . 75.54 109.916 171.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -79.97 -19.05 48.81 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.625 -0.716 . . . . 75.41 110.916 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.29 -32.04 4.26 Favored Glycine 0 C--N 1.351 1.414 0 C-N-CA 123.298 0.475 . . . . 52.52 113.274 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.91 -150.17 26.08 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 119.971 -0.35 . . . . 73.35 112.96 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -170.4 158.93 6.78 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.851 0.86 . . . . 63.0 109.908 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.416 HG13 HG21 ' A' ' 35' ' ' VAL . 34.2 m -117.66 120.35 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 108.318 -0.993 . . . . 62.43 108.318 174.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.3 mp -110.05 120.76 61.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 108.032 -1.099 . . . . 70.52 108.032 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -68.54 122.42 18.43 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 109.857 -0.423 . . . . 74.04 109.857 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -111.55 -36.74 5.42 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.365 0.666 . . . . 73.11 112.113 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.03 178.33 48.21 Favored Glycine 0 C--N 1.34 0.761 0 C-N-CA 120.672 -0.775 . . . . 72.51 113.762 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.401 ' CE2' ' HG3' ' A' ' 15' ' ' GLU . 24.8 t80 -152.87 109.81 3.48 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 106.67 -1.604 . . . . 74.32 106.67 175.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -151.93 133.41 14.62 Favored 'General case' 0 C--O 1.242 0.658 0 C-N-CA 123.694 0.797 . . . . 63.03 110.099 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 67.95 19.44 9.41 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.743 1.217 . . . . 74.44 111.068 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.78 90.13 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 116.55 -0.295 . . . . 53.22 112.949 -173.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -101.74 111.07 30.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.635 0 C-N-CA 123.529 0.732 . . . . 70.41 109.623 -177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.539 ' HB ' HG22 ' A' ' 88' ' ' VAL . 14.5 t -79.63 107.65 12.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 N-CA-C 107.939 -1.134 . . . . 74.03 107.939 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -90.13 111.74 22.98 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 109.472 -0.566 . . . . 74.31 109.472 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.2 mt -121.83 137.19 54.87 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.232 1.013 . . . . 74.2 110.361 -175.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 87.9 tttt -88.31 132.41 34.42 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 109.009 -0.737 . . . . 52.5 109.009 174.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.456 HD12 HG23 ' A' ' 67' ' ' ILE . 47.9 mt -105.73 143.77 33.41 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 108.968 -0.752 . . . . 71.55 108.968 176.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -98.04 172.78 7.4 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.359 0.664 . . . . 75.43 112.167 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.18 164.32 6.41 Favored Glycine 0 C--N 1.361 1.919 0 CA-C-N 114.598 -1.183 . . . . 74.14 113.652 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m 76.93 -49.82 0.55 Allowed 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 125.248 1.419 . . . . 62.13 110.535 -171.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.4 t -71.46 -42.01 68.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.481 0.713 . . . . 55.34 110.15 172.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.1 p -76.9 -21.03 55.51 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 115.915 -0.584 . . . . 45.44 112.067 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -59.93 -39.63 86.15 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.488 0.715 . . . . 72.3 111.439 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 p -110.12 122.88 37.54 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 123.298 0.639 . . . . 64.34 109.527 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.46 -28.62 26.47 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 123.182 2.588 . . . . 65.1 113.992 -168.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.5 m -69.72 -35.81 75.34 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.452 0.301 . . . . 52.02 110.591 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.3 t -64.5 -36.5 84.39 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.752 0.821 . . . . 73.11 111.191 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.456 HG23 HD12 ' A' ' 56' ' ' LEU . 67.6 mt -55.98 -52.62 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.803 0.841 . . . . 44.12 110.466 175.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -71.32 -46.41 65.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 114.51 -1.223 . . . . 65.11 110.879 -173.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 m -60.48 -43.22 97.19 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.754 0.821 . . . . 71.35 111.018 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.1 tp -63.87 -53.79 45.08 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 123.826 0.704 . . . . 62.43 109.929 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.82 -36.88 72.85 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 124.297 0.998 . . . . 51.31 111.153 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -71.48 -41.75 68.96 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.426 0.691 . . . . 73.31 110.997 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.01 -44.22 98.09 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 111.806 -0.518 . . . . 41.42 111.806 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.17 -42.08 94.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 124.42 1.088 . . . . 55.41 109.999 175.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.43 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 32.6 tt0 -59.45 -52.71 64.43 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 123.86 0.864 . . . . 60.14 110.118 -177.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -64.7 -32.58 74.32 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 124.238 0.961 . . . . 62.45 110.781 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 47.8 ttp -66.27 -50.96 61.92 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.375 0.67 . . . . 75.45 110.799 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.564 ' HB3' HG21 ' A' ' 85' ' ' VAL . 90.4 mt -69.39 -30.42 68.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.569 0.748 . . . . 73.43 111.446 -176.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 47.4 mt-30 -77.65 -24.99 49.31 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.843 0.457 . . . . 74.11 110.928 175.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -73.21 -45.67 54.85 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.189 0.995 . . . . 73.33 110.326 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -81.76 -44.6 16.79 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.926 0.393 . . . . 71.31 111.424 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.4 HG22 ' H ' ' A' ' 84' ' ' GLU . 41.1 mt -113.19 121.42 38.05 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.712 0.805 . . . . 73.15 110.283 -169.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -67.43 -26.15 41.11 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.966 2.444 . . . . 64.52 113.195 174.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' H ' HG22 ' A' ' 82' ' ' ILE . 27.2 mm-40 -68.74 -31.48 70.57 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.284 0.633 . . . . 73.21 112.19 -174.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 78' ' ' LEU . 70.7 t -69.69 103.96 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.207 0.527 . . . . 74.3 109.73 178.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.93 -21.13 21.51 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.436 1.094 . . . . 73.12 110.942 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.87 176.67 44.93 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 115.832 -0.622 . . . . 42.44 112.103 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.539 HG22 ' HB ' ' A' ' 52' ' ' VAL . 76.7 t -141.04 138.36 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 N-CA-C 107.45 -1.315 . . . . 63.43 107.45 178.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -129.84 146.92 51.56 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.315 0.646 . . . . 63.41 109.787 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -84.24 115.58 22.52 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.198 -1.038 . . . . 75.42 108.198 172.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 17.0 m -112.94 118.49 58.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 C-N-CA 123.414 0.686 . . . . 71.35 109.393 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.6 ptp -82.55 82.83 7.8 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 122.397 1.094 . . . . 72.03 108.352 172.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -86.81 101.54 13.44 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 114.361 -1.29 . . . . 61.04 107.551 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -155.83 162.26 40.49 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.113 -0.494 . . . . 71.25 110.851 -168.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -152.92 15.81 0.56 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.7 1.2 . . . . 61.11 110.469 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.2 p -145.58 -65.57 0.32 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 122.703 0.401 . . . . 75.04 111.144 -171.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 N--CA 1.484 1.27 0 C-N-CA 123.483 0.713 . . . . 62.23 109.479 178.286 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptp . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 121.16 0.505 . . . . 73.35 110.493 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.39 -88.87 0.21 Allowed Glycine 0 C--N 1.347 1.191 0 CA-C-N 115.581 -0.736 . . . . 74.22 112.964 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 61.68 48.13 5.83 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.82 1.248 . . . . 61.24 109.739 -174.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -69.14 142.43 54.37 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.0 -1.454 . . . . 74.23 110.077 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -81.48 70.91 8.45 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.892 0.853 . . . . 72.31 110.311 -175.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -69.01 -54.63 14.16 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.707 1.203 . . . . 64.44 111.28 -172.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -61.19 -31.18 70.93 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.195 0.598 . . . . 75.22 112.506 -170.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.5 m80 67.75 -66.84 0.2 Allowed 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.11 1.364 . . . . 72.44 112.927 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.0 m -37.23 101.0 0.02 OUTLIER 'General case' 0 C--N 1.359 1.004 0 C-N-CA 125.657 1.583 . . . . 63.12 113.476 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -73.42 115.87 13.3 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 114.964 -1.016 . . . . 70.1 109.94 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.3 ttm -79.34 82.31 5.5 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 108.933 -0.765 . . . . 74.25 108.933 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.15 177.64 25.17 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 114.837 -1.074 . . . . 51.43 111.448 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.5 m -87.54 58.22 4.82 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.59 0.756 . . . . 63.04 110.375 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.7 -174.69 5.09 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.994 0.917 . . . . 52.03 111.659 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 65.16 21.09 12.11 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 122.381 1.086 . . . . 74.31 109.176 -167.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -80.2 -172.36 3.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.641 1.576 . . . . 63.11 112.542 -165.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.495 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 7.3 p-10 -61.2 -19.64 61.85 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.685 1.194 . . . . 72.12 112.846 -174.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.08 -49.18 63.53 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 111.703 -0.559 . . . . 71.45 111.703 173.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 23' ' ' ILE . 47.2 t -63.47 -48.02 88.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 123.636 0.774 . . . . 60.15 109.996 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.495 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 49.9 t -55.71 -43.02 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 C-N-CA 125.261 1.424 . . . . 73.12 111.738 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.28 84.51 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.657 0.783 . . . . 62.03 112.008 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.2 ptm -73.57 -26.62 60.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.356 -0.384 . . . . 65.11 111.27 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 19' ' ' VAL . 70.0 mt -64.74 -49.24 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 108.829 -0.804 . . . . 62.33 108.829 172.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -50.88 -46.05 60.3 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.126 0.97 . . . . 64.05 112.056 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.17 -42.41 65.91 Favored 'General case' 0 C--O 1.211 -0.931 0 O-C-N 123.543 0.527 . . . . 55.33 110.298 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.5 mt -64.61 -26.55 68.45 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.192 0.597 . . . . 72.55 111.162 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 76.4 mt -74.94 -54.26 7.54 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 109.549 -0.537 . . . . 71.04 109.549 171.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.99 -22.51 64.09 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.57 -0.741 . . . . 74.54 112.079 -169.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.2 p -91.26 -39.05 12.29 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.803 0.841 . . . . 75.04 111.059 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.468 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 59.1 mtp180 -109.9 -60.83 1.74 Allowed 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.824 0.45 . . . . 72.43 112.205 -171.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.7 mm -74.93 -60.81 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 119.066 -0.492 . . . . 73.25 111.163 -165.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 75.1 mtp180 -47.18 -51.52 40.98 Favored Pre-proline 0 C--N 1.367 1.336 0 CA-C-O 117.292 -1.337 . . . . 73.32 111.852 -178.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 99.7 Cg_exo -49.18 -47.04 23.39 Favored 'Trans proline' 0 C--N 1.404 3.459 0 C-N-CA 122.873 2.382 . . . . 72.11 113.818 175.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.8 m -63.84 -46.19 86.16 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.741 0.816 . . . . 71.11 111.125 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.758 HG13 ' SG ' ' A' ' 60' ' ' CYS . 40.5 t -69.77 -33.78 57.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 123.937 0.895 . . . . 64.25 110.819 -176.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 70.5 mt-30 -64.49 -40.94 96.62 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.863 0.865 . . . . 72.22 110.755 176.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.59 -32.4 72.27 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 123.823 0.702 . . . . 74.01 111.209 176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.61 -23.31 61.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.041 0.536 . . . . 62.51 110.395 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.44 -20.85 5.79 Favored Glycine 0 C--N 1.342 0.882 0 CA-C-N 116.354 -0.384 . . . . 53.32 113.052 172.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -98.24 -141.68 12.51 Favored Glycine 0 C--N 1.342 0.864 0 CA-C-O 120.079 -0.289 . . . . 33.22 113.487 -178.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -178.73 159.93 1.13 Allowed 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.773 1.629 . . . . 51.14 108.194 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.8 m -120.74 112.58 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 108.944 -0.762 . . . . 71.51 108.944 175.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.526 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.3 mp -97.54 117.6 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 107.988 -1.116 . . . . 74.41 107.988 -178.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -67.46 112.1 4.46 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.854 0.462 . . . . 72.41 110.059 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -97.6 -32.77 11.62 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.153 0.981 . . . . 71.13 111.471 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.26 -170.48 42.59 Favored Glycine 0 C--N 1.343 0.928 0 C-N-CA 120.767 -0.73 . . . . 74.41 113.796 178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -153.43 108.58 3.19 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 107.949 -1.13 . . . . 72.03 107.949 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -135.28 125.06 25.41 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 108.672 -0.862 . . . . 75.44 108.672 -171.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.4 t70 66.86 24.66 9.71 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.623 1.169 . . . . 74.21 111.029 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.7 11.47 83.95 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 115.716 -0.674 . . . . 31.34 113.031 -175.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.5 mm -108.72 116.62 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 123.547 0.739 . . . . 72.52 109.544 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.464 ' HB ' HG22 ' A' ' 88' ' ' VAL . 16.4 t -80.08 107.84 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.777 0.831 . . . . 74.12 109.463 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -82.69 113.78 20.6 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 109.341 -0.615 . . . . 62.23 109.341 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.9 mt -126.72 140.32 52.48 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.388 1.075 . . . . 61.23 109.787 -177.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.526 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 42.2 tttm -93.36 113.15 25.25 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 108.651 -0.87 . . . . 74.43 108.651 176.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.574 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 18.8 mt -89.18 135.06 33.78 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.367 -0.975 . . . . 53.41 108.367 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -94.22 177.4 5.97 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.126 0.97 . . . . 74.43 109.526 175.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.8 168.07 1.49 Allowed Glycine 0 C--N 1.356 1.652 0 O-C-N 123.726 0.641 . . . . 73.44 114.513 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.6 m 76.53 -53.13 0.59 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 125.756 1.622 . . . . 72.44 111.398 -172.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.758 ' SG ' HG13 ' A' ' 35' ' ' VAL . 70.1 m -75.01 -30.88 61.26 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.76 0.824 . . . . 73.23 111.684 177.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.8 p -78.85 -10.19 59.72 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.239 0.616 . . . . 55.25 111.959 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 m -66.94 108.91 2.75 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 123.23 0.612 . . . . 75.4 109.865 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 84.2 m 72.97 139.05 0.06 OUTLIER Pre-proline 0 CA--C 1.56 1.361 0 C-N-CA 125.048 1.339 . . . . 73.21 111.469 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -56.6 -35.43 97.16 Favored 'Trans proline' 0 C--N 1.386 2.52 0 C-N-CA 123.177 2.585 . . . . 75.21 113.053 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -60.98 -38.45 86.03 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.224 0.61 . . . . 64.33 112.336 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 m -68.51 -39.74 81.11 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.874 0.47 . . . . 71.14 110.905 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.4 mt -58.32 -47.47 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.149 0.98 . . . . 72.35 110.619 173.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.5 -43.99 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.968 0.907 . . . . 75.12 110.666 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.8 m -64.44 -46.67 82.16 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.25 0.62 . . . . 75.54 111.189 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.423 HD23 HD13 ' A' ' 56' ' ' LEU . 45.2 tp -62.86 -52.0 64.83 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 123.896 0.747 . . . . 72.12 109.996 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HG2' ' HB ' ' A' ' 88' ' ' VAL . 1.1 tmmt? -54.66 -42.09 70.92 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.878 1.271 . . . . 64.34 111.593 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -71.48 -38.44 71.23 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.462 0.705 . . . . 75.42 111.646 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.63 -49.65 67.56 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 111.962 -0.455 . . . . 54.2 111.962 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.6 mt -58.31 -48.9 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.585 1.154 . . . . 74.05 110.22 175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -55.19 -60.52 3.27 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.56 1.163 . . . . 73.45 111.209 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.436 ' N ' HD22 ' A' ' 76' ' ' ASN . 0.8 OUTLIER -64.31 -33.9 76.9 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 124.176 0.923 . . . . 73.5 111.5 -173.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.468 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 38.5 ttp -62.8 -55.36 27.08 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.791 0.682 . . . . 51.23 109.75 176.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.478 ' HB3' HG21 ' A' ' 85' ' ' VAL . 95.2 mt -60.4 -35.93 76.9 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.674 0.789 . . . . 73.44 111.443 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 97.5 mt-30 -64.28 -29.57 70.66 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.775 0.83 . . . . 72.14 112.114 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -66.51 -35.93 81.46 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.505 0.722 . . . . 75.31 110.682 178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -94.96 -29.21 14.76 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.171 0.588 . . . . 61.53 111.244 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.1 mt -131.54 115.53 15.98 Favored Pre-proline 0 N--CA 1.48 1.06 0 C-N-CA 124.083 0.953 . . . . 63.14 109.874 -166.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.88 -23.96 34.4 Favored 'Trans proline' 0 C--N 1.369 1.654 0 C-N-CA 123.182 2.588 . . . . 61.31 113.01 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -63.07 -38.93 93.13 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.833 0.853 . . . . 74.41 112.111 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.478 HG21 ' HB3' ' A' ' 78' ' ' LEU . 78.4 t -64.72 98.6 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-O 121.512 0.672 . . . . 62.34 110.867 -177.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -80.28 -39.44 28.84 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.958 -1.019 . . . . 70.32 110.302 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -160.42 -177.66 33.71 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.073 -0.512 . . . . 43.13 112.941 -175.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.464 HG22 ' HB ' ' A' ' 52' ' ' VAL . 73.2 t -135.05 132.44 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 124.835 1.254 . . . . 73.43 107.67 176.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -114.54 135.75 53.78 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.422 1.089 . . . . 72.02 109.175 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.574 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 47.5 tt0 -86.26 132.62 33.95 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 109.339 -0.615 . . . . 63.2 109.339 171.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 11.8 m -129.22 150.9 35.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 C-N-CA 124.903 1.281 . . . . 70.43 108.109 173.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 18.8 ptm -140.8 132.05 26.56 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.695 0.398 . . . . 51.34 110.317 -176.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.4 139.58 40.99 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.811 0.844 . . . . 65.5 109.967 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.7 t70 60.54 86.16 0.1 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.789 1.236 . . . . 73.44 111.734 175.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -114.63 -15.23 12.0 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 114.983 -1.008 . . . . 73.5 109.599 169.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.5 t -155.61 100.28 2.08 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 124.807 1.243 . . . . 51.24 108.13 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 N--CA 1.476 0.858 0 C-N-CA 123.075 0.55 . . . . 63.1 110.041 -177.307 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.1 tpp . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 108.274 -1.01 . . . . 73.32 108.274 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.1 -65.42 3.98 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 114.467 0.547 . . . . 32.55 114.467 167.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.1 m170 -65.35 -12.73 54.87 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.291 1.036 . . . . 72.23 113.215 -166.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.7 t-160 -91.94 56.63 2.95 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 123.962 0.905 . . . . 71.2 109.004 173.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -70.22 -33.13 71.3 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.571 0.748 . . . . 75.01 110.758 175.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -66.73 100.5 0.7 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.469 0.708 . . . . 74.13 110.194 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -121.48 148.58 44.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.206 1.002 . . . . 74.35 109.571 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -144.19 125.01 14.21 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.065 0.946 . . . . 72.14 109.292 173.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.0 m -71.35 100.91 2.25 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 107.362 -1.347 . . . . 74.04 107.362 165.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -131.36 31.76 4.31 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.388 0.613 . . . . 74.33 110.764 -165.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 80.0 mtp -69.76 -31.52 69.52 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.087 -1.079 . . . . 72.32 108.087 159.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.61 -84.6 0.06 OUTLIER Glycine 0 CA--C 1.521 0.437 0 N-CA-C 107.825 -2.11 . . . . 60.21 107.825 161.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m -155.74 -57.55 0.1 Allowed 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 107.141 -1.429 . . . . 73.12 107.141 173.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.25 98.59 4.15 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 106.144 -1.798 . . . . 73.32 106.144 173.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -65.79 162.5 18.64 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.572 0.749 . . . . 75.2 111.474 -168.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.3 m-20 -65.52 78.06 0.07 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 124.116 0.967 . . . . 55.31 112.959 -169.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.19 -23.86 63.03 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.808 0.843 . . . . 70.34 111.413 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.9 -49.22 64.15 Favored Glycine 0 C--N 1.344 0.974 0 O-C-N 123.746 0.654 . . . . 72.4 112.077 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 23' ' ' ILE . 84.7 t -60.55 -49.35 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.617 0.767 . . . . 75.22 109.936 175.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.506 HG12 ' HE3' ' A' ' 24' ' ' LYS . 74.8 t -55.5 -45.65 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.411 1.085 . . . . 73.43 111.471 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.76 -40.38 72.68 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.837 0.855 . . . . 73.13 111.795 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.412 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.1 ptm -73.36 -28.51 62.08 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 119.177 -0.44 . . . . 72.02 110.64 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 19' ' ' VAL . 86.9 mt -62.74 -47.4 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 N-CA-C 109.139 -0.689 . . . . 71.21 109.139 170.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.506 ' HE3' HG12 ' A' ' 20' ' ' VAL . 99.7 mttt -51.53 -46.23 63.25 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 124.111 0.882 . . . . 64.11 111.898 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -77.58 -35.87 52.6 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 119.065 -0.493 . . . . 52.33 110.825 -176.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 22' ' ' MET . 71.6 mt -61.59 -30.55 70.75 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 118.39 0.541 . . . . 61.44 110.446 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.5 mt -72.91 -52.82 13.17 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.494 -0.558 . . . . 74.4 109.494 170.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.28 -27.92 69.67 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.319 1.048 . . . . 70.02 112.975 -170.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.2 p -95.55 -36.39 11.29 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.833 0.853 . . . . 73.4 111.321 -177.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -107.08 -57.5 2.06 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.008 0.523 . . . . 72.31 111.819 -171.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.7 mm -81.59 -62.63 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 119.286 -0.387 . . . . 74.2 111.223 -167.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.43 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 78.7 mtp180 -45.71 -53.58 19.44 Favored Pre-proline 0 C--N 1.364 1.213 0 CA-C-O 117.141 -1.409 . . . . 73.33 112.381 -176.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.43 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 80.5 Cg_exo -51.19 -43.32 49.39 Favored 'Trans proline' 0 C--N 1.407 3.636 0 C-N-CA 122.757 2.305 . . . . 64.53 113.018 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -65.95 -42.42 89.99 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.31 1.044 . . . . 65.1 111.202 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.469 HG13 ' SG ' ' A' ' 60' ' ' CYS . 38.3 t -71.26 -32.5 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.69 0.796 . . . . 74.33 110.894 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -69.75 -34.49 73.89 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.459 0.704 . . . . 73.04 110.466 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -69.13 -35.71 76.7 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.547 0.739 . . . . 74.54 110.564 171.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -67.89 -23.55 65.13 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.02 0.928 . . . . 73.52 111.314 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 107.68 34.29 2.88 Favored Glycine 0 C--N 1.345 1.072 0 CA-C-N 116.385 -0.37 . . . . 65.14 112.466 175.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.16 -142.14 3.41 Favored Glycine 0 C--N 1.339 0.714 0 N-CA-C 110.587 -1.005 . . . . 72.44 110.587 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -178.32 161.36 1.41 Allowed 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.627 1.171 . . . . 75.52 108.95 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.403 HG23 ' HG2' ' A' ' 32' ' ' ARG . 27.8 m -126.79 119.97 54.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.178 -1.045 . . . . 63.44 108.178 175.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -106.1 129.81 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 108.048 -1.093 . . . . 74.12 108.048 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -69.77 116.31 10.01 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 123.262 0.351 . . . . 74.4 110.211 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 71.7 mmtt -106.14 -20.44 13.41 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.473 0.709 . . . . 71.44 111.933 -178.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 163.66 -172.4 39.56 Favored Glycine 0 C--N 1.346 1.116 0 C-N-CA 120.732 -0.747 . . . . 45.33 114.332 171.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -148.16 108.35 4.09 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 106.753 -1.573 . . . . 72.15 106.753 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -124.17 104.41 8.83 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.374 -0.973 . . . . 74.42 108.374 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 53.63 59.15 4.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.255 1.022 . . . . 63.4 111.55 176.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.41 -16.59 33.88 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-N 115.033 -0.985 . . . . 74.51 114.696 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.7 mm -95.01 110.9 24.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 117.026 0.413 . . . . 72.34 110.264 -173.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.465 HG21 HD13 ' A' ' 78' ' ' LEU . 38.7 t -81.01 104.27 9.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.78 -0.822 . . . . 64.33 108.78 178.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -85.98 119.81 26.69 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.151 0.58 . . . . 75.12 109.516 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -129.95 137.8 50.53 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.036 0.935 . . . . 52.41 111.066 -173.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HE3' ' NE2' ' A' ' 57' ' ' GLN . 65.0 tttp -88.17 113.96 24.31 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.667 0.787 . . . . 72.04 109.223 173.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.4 mt -89.71 133.78 34.5 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.471 -0.937 . . . . 74.14 108.471 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.443 ' NE2' ' HE3' ' A' ' 55' ' ' LYS . 71.7 mm-40 -92.8 175.3 6.86 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.229 0.612 . . . . 74.0 109.966 178.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.49 162.01 5.43 Favored Glycine 0 C--N 1.357 1.71 0 C-N-CA 124.008 0.813 . . . . 40.13 113.752 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m 75.06 -61.0 0.5 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.584 1.554 . . . . 55.55 110.094 -170.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.469 ' SG ' HG13 ' A' ' 35' ' ' VAL . 33.0 m -63.96 -42.04 97.4 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.477 1.111 . . . . 65.22 111.701 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.6 t -87.45 -6.07 58.56 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.185 0.594 . . . . 72.34 111.649 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.8 m -88.27 -7.61 56.5 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.489 0.716 . . . . 71.34 112.561 -173.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.4 p -143.18 127.69 9.65 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 123.476 0.71 . . . . 62.43 109.329 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -62.09 -25.65 77.55 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.992 2.461 . . . . 70.42 112.966 -175.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.1 m -60.28 -48.89 79.8 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 123.29 0.636 . . . . 71.11 110.868 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.5 m -72.17 -34.23 68.31 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 116.106 -0.497 . . . . 70.05 111.372 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.15 -46.76 96.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 122.794 0.438 . . . . 62.12 110.879 176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.9 mt -67.33 -52.48 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 123.784 0.834 . . . . 51.33 110.947 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.4 m -59.52 -46.21 89.5 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.169 0.588 . . . . 55.11 111.115 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.55 -56.44 15.96 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.709 0.804 . . . . 70.31 110.439 -176.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -44.08 75.54 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.285 1.034 . . . . 64.13 111.363 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -67.99 -40.85 83.0 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.538 0.735 . . . . 64.32 111.374 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.08 96.27 Favored Glycine 0 CA--C 1.526 0.737 0 O-C-N 123.135 0.272 . . . . 35.43 112.527 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.71 -41.32 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.346 1.058 . . . . 73.5 109.923 175.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -62.19 -56.17 21.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.896 0.879 . . . . 61.45 110.744 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -64.81 -26.38 68.32 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.334 0.654 . . . . 75.31 111.901 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.1 ttp -69.1 -60.48 2.33 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.014 -0.365 . . . . 72.42 110.014 174.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.519 ' HB3' HG21 ' A' ' 85' ' ' VAL . 97.1 mt -60.56 -39.9 89.67 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 123.821 0.848 . . . . 72.21 111.571 -175.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 94.1 mt-30 -66.07 -34.18 77.49 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.348 0.659 . . . . 61.22 111.898 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.45 -33.85 75.64 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.674 0.79 . . . . 64.54 110.725 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -101.32 -26.49 13.6 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.546 0.739 . . . . 73.44 111.885 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 69.6 mt -136.77 99.35 10.35 Favored Pre-proline 0 N--CA 1.483 1.208 0 C-N-CA 124.429 1.092 . . . . 54.42 108.989 -167.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.45 -10.79 29.72 Favored 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.831 2.354 . . . . 65.25 113.205 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -65.9 -35.97 82.09 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.331 0.653 . . . . 61.1 110.909 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' A' ' 78' ' ' LEU . 98.3 t -68.54 117.23 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.103 0.561 . . . . 64.43 109.783 177.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -98.21 -27.53 14.12 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.514 1.126 . . . . 74.34 110.477 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.81 -179.14 43.35 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 115.994 -0.548 . . . . 72.25 112.53 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.439 HG22 ' HB ' ' A' ' 52' ' ' VAL . 75.8 t -131.53 138.57 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 124.508 1.123 . . . . 54.44 108.308 178.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -122.39 141.55 51.46 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.694 0.797 . . . . 64.21 109.843 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -85.44 112.76 21.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.687 0.795 . . . . 74.4 109.151 173.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.5 m -117.01 109.13 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 108.9 -0.778 . . . . 62.41 108.9 171.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 92.2 mtp -86.03 85.43 7.37 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.773 0.796 . . . . 75.55 108.86 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' HB3' ' HE3' ' A' ' 45' ' ' LYS . 17.3 t70 -73.01 87.37 1.35 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.553 -1.203 . . . . 73.13 110.533 -177.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -169.17 160.38 9.66 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.687 0.795 . . . . 61.53 110.678 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -76.67 -14.74 59.94 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 114.471 -1.241 . . . . 73.43 111.734 -176.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.4 m 66.04 17.99 10.92 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.665 1.186 . . . . 51.04 113.757 171.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.809 -0.615 . . . . 62.41 109.847 177.231 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.463 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 109.327 -0.619 . . . . 74.41 109.327 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.07 -144.33 46.21 Favored Glycine 0 C--N 1.355 1.605 0 O-C-N 123.755 0.66 . . . . 55.12 113.019 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -124.44 105.82 9.72 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.165 0.986 . . . . 64.35 108.864 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -109.8 97.64 7.13 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 122.168 0.985 . . . . 74.35 111.112 -177.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -77.72 -0.79 28.2 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-N 114.377 -1.283 . . . . 73.45 109.805 166.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -101.7 119.79 39.33 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.311 1.045 . . . . 64.44 109.394 169.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.8 m80 53.07 67.61 0.97 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.225 1.41 . . . . 65.33 113.293 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -75.12 -49.08 20.74 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 107.819 -1.178 . . . . 75.32 107.819 166.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 m -69.33 148.63 49.43 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 114.45 -1.25 . . . . 73.33 110.601 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -132.87 91.61 2.92 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.887 0.875 . . . . 63.23 110.032 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -141.84 119.91 12.09 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 108.324 -0.991 . . . . 72.4 108.324 172.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.69 48.35 73.46 Favored Glycine 0 C--N 1.35 1.311 0 N-CA-C 110.235 -1.146 . . . . 52.4 110.235 -168.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.65 ' H ' ' HG2' ' A' ' 48' ' ' GLU . 50.0 m -70.2 85.18 0.55 Allowed 'General case' 0 C--O 1.24 0.597 0 C-N-CA 124.327 1.051 . . . . 74.35 111.964 -170.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.693 ' HG2' ' HB3' ' A' ' 47' ' ' PHE . 36.8 mt-10 -118.17 97.6 5.88 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.117 1.367 . . . . 74.33 107.433 178.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -37.48 23.73 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 120.959 0.409 . . . . 63.11 110.489 -178.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -115.62 114.21 24.6 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.838 0.855 . . . . 71.32 110.213 -169.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.47 -31.06 71.56 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.183 0.993 . . . . 72.32 111.924 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.65 97.23 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 123.654 0.596 . . . . 61.12 113.197 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.2 t -63.05 -48.99 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.658 0.783 . . . . 75.11 109.944 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.432 HG12 ' HE3' ' A' ' 24' ' ' LYS . 89.8 t -55.15 -44.3 74.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.465 1.106 . . . . 63.1 111.239 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.09 85.57 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.257 1.023 . . . . 74.54 111.604 -175.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.6 ptm -78.58 -22.38 47.2 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 116.624 -0.262 . . . . 72.31 111.333 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.1 mt -66.09 -51.14 63.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 108.2 -1.037 . . . . 63.3 108.2 168.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HE3' HG12 ' A' ' 20' ' ' VAL . 97.8 mttt -53.1 -41.83 65.33 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 124.372 1.045 . . . . 73.43 111.6 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -74.52 -42.16 59.38 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 118.795 -0.621 . . . . 64.13 110.399 -175.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.89 -35.02 77.11 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-N 118.495 0.589 . . . . 62.04 110.866 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.0 mt -66.63 -54.92 18.11 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.537 -0.756 . . . . 53.21 109.986 172.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.49 -31.23 71.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.645 0.778 . . . . 43.21 112.474 -168.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.5 p -91.09 -35.02 14.84 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.532 0.733 . . . . 71.21 111.946 -175.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -105.41 -59.47 1.76 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.803 0.441 . . . . 74.21 111.195 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.9 mm -73.57 -61.2 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 115.504 -0.771 . . . . 71.13 110.324 -164.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HG2' HG22 ' A' ' 42' ' ' VAL . 70.2 mtp180 -48.13 -50.64 54.21 Favored Pre-proline 0 CA--C 1.559 1.295 0 CA-C-O 116.94 -1.505 . . . . 62.2 112.278 -177.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 81.1 Cg_exo -49.67 -54.54 5.29 Favored 'Trans proline' 0 C--N 1.411 3.858 0 C-N-CA 122.896 2.397 . . . . 74.01 113.166 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.6 m -60.21 -44.92 94.76 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.236 1.014 . . . . 64.21 111.735 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.636 HG13 ' SG ' ' A' ' 60' ' ' CYS . 64.0 t -68.8 -34.43 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 C-N-CA 124.461 1.104 . . . . 73.13 110.525 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -75.17 -26.86 59.4 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.341 0.656 . . . . 75.03 111.482 176.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 15.3 mm-40 -65.56 -34.52 78.43 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.796 0.438 . . . . 74.45 109.858 172.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -80.04 -24.04 40.99 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.408 -0.814 . . . . 74.01 110.445 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.75 -21.15 7.6 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.442 -0.345 . . . . 73.24 113.243 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.58 -162.11 30.99 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 122.832 0.253 . . . . 62.4 113.326 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -169.84 156.43 6.27 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.23 1.012 . . . . 74.01 108.705 176.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.424 HG22 ' HG2' ' A' ' 32' ' ' ARG . 17.0 m -121.8 121.54 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 N-CA-C 108.402 -0.962 . . . . 44.33 108.402 177.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.8 mp -107.6 117.4 53.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 107.926 -1.138 . . . . 72.01 107.926 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -67.6 112.39 4.71 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 109.539 -0.541 . . . . 63.23 109.539 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.564 ' HD3' ' HB3' ' A' ' 93' ' ' ASP . 10.5 mmpt? -95.12 -49.97 5.28 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.871 0.868 . . . . 71.45 111.185 -176.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.5 -174.08 36.91 Favored Glycine 0 C--N 1.345 1.051 0 C-N-CA 121.246 -0.502 . . . . 54.23 113.458 -174.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.693 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . 84.9 t80 -158.14 123.28 4.38 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 107.458 -1.312 . . . . 73.11 107.458 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.65 ' HG2' ' H ' ' A' ' 13' ' ' SER . 41.3 mt-10 -126.49 111.56 14.55 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.442 -0.577 . . . . 72.35 109.442 174.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 70.85 -72.59 0.11 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.028 1.331 . . . . 73.34 110.365 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.517 ' HA3' ' HG2' ' A' ' 86' ' ' GLU . . . -147.61 3.57 0.86 Allowed Glycine 0 C--N 1.343 0.951 0 CA-C-N 115.972 -0.558 . . . . 42.03 113.271 174.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.9 mm -91.13 106.46 17.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 N-CA-C 109.335 -0.617 . . . . 74.41 109.335 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.577 ' HB ' HG22 ' A' ' 88' ' ' VAL . 47.6 t -79.09 105.5 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 124.344 1.058 . . . . 72.1 108.651 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' HB3' HG21 ' A' ' 91' ' ' VAL . 79.3 mt-30 -83.38 116.82 22.65 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.156 0.582 . . . . 74.21 109.735 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.6 mt -124.3 133.99 53.32 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.462 1.105 . . . . 73.33 110.225 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 64.8 tttp -88.29 109.36 19.9 Favored 'General case' 0 C--O 1.237 0.434 0 N-CA-C 108.05 -1.092 . . . . 74.23 108.05 171.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.541 HD13 HD23 ' A' ' 70' ' ' LEU . 46.5 mt -88.07 145.22 26.07 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.049 -1.093 . . . . 73.33 108.049 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -99.64 175.68 5.73 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.254 0.622 . . . . 71.41 109.705 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.11 -174.53 4.45 Favored Glycine 0 C--N 1.353 1.491 0 O-C-N 123.684 0.615 . . . . 64.01 113.709 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.6 m 73.51 -60.43 0.53 Allowed 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 125.504 1.521 . . . . 75.22 111.098 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.636 ' SG ' HG13 ' A' ' 35' ' ' VAL . 57.7 m -75.99 -6.5 51.25 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.205 1.002 . . . . 72.41 112.065 176.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.9 p -125.13 37.82 4.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.922 0.889 . . . . 73.1 110.333 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.3 m -61.88 -32.35 72.71 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.087 0.555 . . . . 64.24 112.379 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 77.4 m -137.94 157.32 73.38 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 124.016 0.926 . . . . 63.2 109.717 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -49.8 -38.34 46.91 Favored 'Trans proline' 0 C--N 1.38 2.231 0 C-N-CA 123.137 2.558 . . . . 61.34 113.351 171.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.0 t -71.74 -30.86 66.06 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.32 0.648 . . . . 64.03 111.491 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.5 m -63.69 -41.75 98.1 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.663 0.385 . . . . 63.44 110.027 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.45 -51.24 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.217 1.007 . . . . 72.1 110.857 175.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.59 -46.16 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 123.997 0.919 . . . . 55.54 110.976 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.5 m -64.83 -45.63 85.33 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.224 0.61 . . . . 62.05 111.033 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 56' ' ' LEU . 56.3 tp -62.46 -51.84 65.87 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.441 0.463 . . . . 63.1 110.533 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.4 -44.68 76.4 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.602 1.561 . . . . 62.21 111.266 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -70.4 -39.29 74.58 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.631 0.772 . . . . 54.34 111.45 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.86 -47.93 85.02 Favored Glycine 0 C--N 1.342 0.899 0 N-CA-C 112.033 -0.427 . . . . 74.33 112.033 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.5 mt -60.57 -44.89 97.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 123.92 0.888 . . . . 75.23 109.838 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -58.11 -57.52 12.5 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.585 1.154 . . . . 64.33 111.828 -175.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.54 -28.42 66.0 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 123.762 0.664 . . . . 42.5 111.655 -176.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 32.7 ttp -65.21 -49.6 69.11 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 109.969 -0.382 . . . . 64.23 109.969 173.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.544 ' HB3' HG21 ' A' ' 85' ' ' VAL . 94.7 mt -63.33 -35.11 79.28 Favored 'General case' 0 C--O 1.211 -0.948 0 C-N-CA 123.541 0.736 . . . . 63.02 110.661 178.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -72.82 -27.98 62.29 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.251 0.62 . . . . 72.42 111.989 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -70.79 -44.74 65.99 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.437 0.695 . . . . 73.34 110.487 -177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -89.14 -36.52 15.65 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.089 0.556 . . . . 75.33 111.579 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.4 mt -118.84 107.06 42.84 Favored Pre-proline 0 N--CA 1.482 1.158 0 C-N-CA 124.145 0.978 . . . . 74.53 109.197 -174.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -70.37 -6.3 18.58 Favored 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.954 2.436 . . . . 55.42 113.219 178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.43 -20.14 57.38 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.444 0.697 . . . . 71.45 111.501 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 78' ' ' LEU . 58.6 t -82.62 122.12 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.401 0.68 . . . . 73.45 110.727 -177.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.517 ' HG2' ' HA3' ' A' ' 50' ' ' GLY . 29.5 mm-40 -91.37 -37.78 13.02 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.691 1.196 . . . . 64.23 110.52 172.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -166.25 -179.86 39.9 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-N 115.465 -0.789 . . . . 51.14 112.791 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.577 HG22 ' HB ' ' A' ' 52' ' ' VAL . 46.2 t -130.17 132.3 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.847 1.259 . . . . 72.11 108.006 172.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -112.4 138.99 48.35 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.382 -0.599 . . . . 71.33 109.382 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -86.48 116.17 24.45 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.365 -0.976 . . . . 74.33 108.365 170.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.441 HG21 ' HB3' ' A' ' 53' ' ' GLN . 2.5 m -124.58 115.97 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.962 0.905 . . . . 72.31 109.186 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 21.2 ptm -84.8 82.6 8.36 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 122.58 1.181 . . . . 63.54 108.473 170.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.564 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 15.2 t70 -108.11 93.37 4.49 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 106.601 -1.629 . . . . 75.14 106.601 174.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -105.14 157.0 17.56 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.913 -1.04 . . . . 74.13 109.618 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.14 15.51 1.17 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.111 1.364 . . . . 73.32 110.25 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.2 t -130.86 31.21 4.52 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.604 1.162 . . . . 70.34 109.598 -171.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.487 1.403 0 C-N-CA 124.332 1.053 . . . . 62.32 111.313 -179.703 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 111.681 0.252 . . . . 74.43 111.681 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.72 15.47 30.98 Favored Glycine 0 C--N 1.35 1.338 0 CA-C-O 119.133 -0.815 . . . . 53.14 115.02 -171.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -158.51 111.49 2.34 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 117.65 0.725 . . . . 62.51 110.354 176.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -131.12 57.63 1.75 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.904 1.282 . . . . 64.12 108.669 173.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -68.42 101.41 1.23 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.665 0.786 . . . . 73.42 109.93 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -153.21 38.92 0.5 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.188 0.595 . . . . 72.24 110.685 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 67.5 t60 70.9 78.32 0.18 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 124.251 1.02 . . . . 64.32 110.306 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -78.95 -41.09 30.16 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.503 0.721 . . . . 72.55 111.084 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.6 m -80.94 94.53 6.53 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.735 -0.839 . . . . 55.52 108.735 173.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -76.24 73.69 3.05 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.231 0.612 . . . . 63.12 109.914 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.4 tpt -101.24 124.0 46.24 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 124.504 1.122 . . . . 75.04 109.818 -176.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.03 80.47 0.53 Allowed Glycine 0 C--N 1.346 1.128 0 O-C-N 123.745 0.653 . . . . 73.24 113.013 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.6 t -69.76 111.93 5.86 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 109.104 -0.702 . . . . 64.03 109.104 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.83 -175.44 2.51 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.663 0.785 . . . . 74.13 112.269 -174.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -155.67 30.73 0.37 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.48 1.112 . . . . 72.45 109.385 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.06 134.6 56.57 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.324 1.05 . . . . 75.24 111.854 -170.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -68.89 -24.15 64.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.884 0.873 . . . . 74.41 111.227 -177.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.79 -44.7 88.63 Favored Glycine 0 C--N 1.348 1.21 0 N-CA-C 111.994 -0.442 . . . . 71.11 111.994 173.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.1 t -60.84 -51.88 68.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 123.65 0.78 . . . . 55.01 110.212 174.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 56.0 t -54.29 -46.59 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.638 1.175 . . . . 63.31 111.592 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.86 -47.43 86.42 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.94 0.896 . . . . 72.24 112.183 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.403 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 26.5 ptm -74.71 -23.8 58.65 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 119.084 -0.484 . . . . 75.41 111.445 -177.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.0 mt -65.69 -47.34 86.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.003 0 N-CA-C 108.573 -0.899 . . . . 70.33 108.573 171.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -56.23 -37.24 69.45 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 123.803 0.689 . . . . 73.34 111.188 176.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.09 -50.7 45.92 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.504 0.722 . . . . 53.51 110.671 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 22' ' ' MET . 96.2 mt -62.47 -31.1 71.78 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.684 0.794 . . . . 75.31 111.147 -178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -71.93 -53.2 13.85 Favored 'General case' 0 C--O 1.214 -0.775 0 N-CA-C 109.181 -0.674 . . . . 74.22 109.181 173.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 23.0 t70 -60.26 -48.46 81.65 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.441 0.696 . . . . 74.01 112.512 -170.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.7 p -81.56 -36.23 29.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.485 0.714 . . . . 62.33 112.395 -172.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' NH1' ' HG3' ' A' ' 77' ' ' MET . 7.8 mtp-105 -103.03 -52.71 2.99 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.658 0.383 . . . . 64.33 111.735 -169.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 35' ' ' VAL . 44.0 mm -85.59 -57.27 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.411 0.685 . . . . 71.34 111.292 -168.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 52.9 mtp180 -45.32 -55.89 10.71 Favored Pre-proline 0 N--CA 1.483 1.212 0 CA-C-O 117.103 -1.427 . . . . 74.25 112.988 -176.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -60.59 -35.72 88.67 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 122.051 1.834 . . . . 74.44 111.898 -176.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.3 m -65.12 -44.96 87.02 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.182 0.993 . . . . 71.12 111.033 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 31' ' ' ILE . 40.1 t -71.79 -26.93 26.52 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 123.958 0.903 . . . . 55.02 110.71 179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -79.19 -25.47 42.74 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.297 0.639 . . . . 55.21 110.928 176.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -75.02 -25.89 59.11 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.964 0.506 . . . . 55.42 110.114 168.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -79.31 -21.34 46.08 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.377 172.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 128.4 -32.13 3.45 Favored Glycine 0 C--N 1.347 1.186 0 CA-C-O 120.053 -0.304 . . . . 40.34 113.52 170.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.52 -137.74 9.72 Favored Glycine 0 C--N 1.344 1.027 0 CA-C-O 119.448 -0.64 . . . . 73.14 112.668 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -173.32 164.84 4.74 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.541 0.736 . . . . 71.21 109.772 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.84 111.97 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 124.228 1.011 . . . . 73.32 108.978 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.494 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 2.0 mp -99.24 119.79 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.142 -1.059 . . . . 60.03 108.142 -178.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -74.06 107.16 6.1 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.103 -0.703 . . . . 74.13 109.103 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -89.25 -42.27 11.71 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.488 -0.778 . . . . 71.22 110.559 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.52 -175.91 43.33 Favored Glycine 0 C--N 1.347 1.174 0 C-N-CA 120.668 -0.777 . . . . 70.33 114.464 -177.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -155.99 108.07 2.58 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 125.338 1.455 . . . . 75.21 107.111 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -143.28 134.82 26.32 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 107.579 -1.267 . . . . 74.34 107.579 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t70 62.75 29.01 16.73 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.275 1.03 . . . . 62.53 110.534 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.67 -1.14 68.19 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 115.321 -0.854 . . . . 73.52 113.69 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.8 mm -95.94 108.66 21.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 123.838 0.855 . . . . 74.02 109.096 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.603 HG21 HD13 ' A' ' 78' ' ' LEU . 41.9 t -79.14 102.69 5.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 108.455 -0.943 . . . . 74.33 108.455 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -86.07 110.78 19.76 Favored 'General case' 0 C--O 1.243 0.725 0 N-CA-C 109.621 -0.511 . . . . 74.31 109.621 -174.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -119.1 134.29 55.29 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 124.386 1.075 . . . . 73.44 110.319 -176.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.494 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 84.5 tttt -88.29 123.72 33.18 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 123.966 0.906 . . . . 75.32 109.019 172.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.419 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 38.6 mt -95.56 139.29 32.04 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.012 -0.736 . . . . 74.42 109.012 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -95.6 172.47 8.04 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.328 0.651 . . . . 73.43 111.199 -178.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.17 154.33 15.33 Favored Glycine 0 C--N 1.359 1.848 0 O-C-N 124.137 0.898 . . . . 63.52 113.703 -177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.8 m 77.26 -30.97 0.17 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 125.838 1.655 . . . . 73.21 112.34 -175.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.5 m -91.13 -37.93 13.07 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.653 0.781 . . . . 72.22 110.375 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 13.4 t -93.86 0.03 55.99 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.61 -0.723 . . . . 75.35 112.087 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.6 m -63.97 -44.09 93.79 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.831 0.452 . . . . 70.14 111.059 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 33.5 m -101.76 118.74 58.91 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 123.532 0.733 . . . . 43.42 109.806 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -51.22 -33.27 43.96 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 123.022 2.481 . . . . 63.14 113.176 170.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.5 m -56.54 -47.01 80.32 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 123.869 0.868 . . . . 72.15 110.796 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.4 t -68.0 -36.64 80.32 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 114.934 -1.03 . . . . 62.03 110.923 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.0 -46.96 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 O-C-N 123.937 0.773 . . . . 65.32 110.569 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.05 -50.75 79.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.786 0.834 . . . . 72.14 110.497 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.6 m -64.92 -40.62 95.33 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.571 0.749 . . . . 52.44 111.565 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.4 tp -66.17 -52.24 50.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.184 0.594 . . . . 70.51 109.967 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.95 -42.77 85.66 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.467 1.107 . . . . 73.32 111.455 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -68.11 -41.94 81.04 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.246 0.618 . . . . 64.02 111.138 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.43 -43.53 99.21 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 112.091 -0.404 . . . . 62.44 112.091 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.31 -35.92 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 123.794 0.838 . . . . 64.53 110.176 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.458 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 58.1 tt0 -61.84 -58.43 8.0 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 122.96 0.504 . . . . 62.54 110.283 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -59.56 -31.27 69.28 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.631 0.773 . . . . 71.45 111.786 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.431 ' HG3' ' NH1' ' A' ' 30' ' ' ARG . 19.0 tmm? -66.8 -54.64 20.51 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.173 0.589 . . . . 73.32 110.673 175.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.603 HD13 HG21 ' A' ' 52' ' ' VAL . 76.6 mt -68.32 -27.59 66.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.54 0.736 . . . . 64.04 111.791 -177.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -79.84 -21.94 43.57 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.738 0.815 . . . . 75.44 111.259 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -69.88 -48.13 59.9 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.21 0.604 . . . . 73.31 109.823 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -84.79 -34.37 22.78 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.689 -0.687 . . . . 61.22 111.784 -176.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.7 mt -131.92 118.3 16.44 Favored Pre-proline 0 N--CA 1.485 1.288 0 C-N-CA 124.01 0.924 . . . . 72.42 109.976 -170.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -78.33 -10.13 16.23 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 122.635 2.223 . . . . 53.2 113.37 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -72.3 -30.6 64.95 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.2 0.6 . . . . 72.11 111.344 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.52 HG21 ' HB3' ' A' ' 78' ' ' LEU . 86.6 t -67.47 103.2 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.826 0.85 . . . . 75.33 110.643 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -70.47 -32.85 70.56 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.929 0.892 . . . . 63.12 111.175 172.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.458 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 179.8 -173.02 44.74 Favored Glycine 0 CA--C 1.504 -0.65 0 CA-C-N 116.067 -0.515 . . . . 75.01 112.545 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.478 HG22 ' HB ' ' A' ' 52' ' ' VAL . 74.5 t -127.6 144.29 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.036 1.334 . . . . 60.21 107.424 175.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -130.18 141.25 50.68 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.995 -0.743 . . . . 75.25 108.995 178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.419 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 47.3 tt0 -83.85 115.49 22.28 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.722 -1.214 . . . . 73.53 107.722 169.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.71 110.23 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 108.413 -0.958 . . . . 64.12 108.413 168.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 71.4 mtm -79.37 128.45 33.36 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.809 -0.811 . . . . 72.35 108.809 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -136.93 102.48 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.735 0.814 . . . . 43.03 109.042 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -71.57 162.56 29.25 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.67 -0.695 . . . . 74.1 111.083 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -105.38 -70.31 0.78 Allowed 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.088 0.47 . . . . 64.23 109.801 -169.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.4 m -115.28 20.89 14.57 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.208 1.003 . . . . 61.54 110.66 -172.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.246 0.905 0 C-N-CA 123.854 0.861 . . . . 73.21 109.711 -172.413 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.513 ' HB2' ' HB2' ' A' ' 7' ' ' HIS . 1.4 mpt? . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.559 -0.534 . . . . 70.14 109.559 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.67 -44.29 0.95 Allowed Glycine 0 C--N 1.346 1.109 0 O-C-N 123.302 0.376 . . . . 72.03 113.184 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -77.58 -34.09 53.74 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.125 0.57 . . . . 72.04 111.183 -170.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -133.21 -64.96 0.71 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.17 0.588 . . . . 75.53 109.624 173.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -65.53 122.59 17.55 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.019 -0.734 . . . . 64.3 109.019 174.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -75.24 145.22 42.12 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.816 0.697 . . . . 64.43 111.925 -169.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.513 ' HB2' ' HB2' ' A' ' 1' ' ' MET . 17.6 t-80 -137.72 77.49 1.64 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.464 -1.244 . . . . 74.23 107.674 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -75.42 -35.84 60.92 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.136 -0.938 . . . . 73.23 110.335 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -89.72 173.23 8.4 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.738 -0.665 . . . . 63.4 109.697 175.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -144.33 24.44 1.59 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 108.524 -0.917 . . . . 74.33 108.524 173.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.625 ' HG2' ' H ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -60.54 -35.28 75.63 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.745 1.218 . . . . 74.12 112.819 -169.451 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.16 20.88 69.56 Favored Glycine 0 C--N 1.348 1.237 0 O-C-N 123.496 0.497 . . . . 72.43 113.465 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.625 ' H ' ' HG2' ' A' ' 11' ' ' MET . 45.9 m -82.08 73.85 9.09 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 123.972 0.909 . . . . 75.5 110.536 -175.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.76 150.6 30.74 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.292 -0.867 . . . . 63.45 110.68 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 68.98 11.0 8.22 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.232 1.413 . . . . 72.35 111.855 -176.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -105.35 -12.29 16.1 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.518 1.127 . . . . 63.31 109.549 166.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.588 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 36.9 t70 -72.07 -14.01 61.74 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.623 0.769 . . . . 74.12 111.403 -175.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.45 -42.52 89.1 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 111.346 -0.702 . . . . 72.11 111.346 170.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 23' ' ' ILE . 89.4 t -64.92 -50.97 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.352 0.661 . . . . 63.04 109.697 172.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 54.8 t -54.38 -41.51 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 124.706 1.202 . . . . 65.52 111.561 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.87 -44.54 76.84 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.746 0.818 . . . . 70.14 111.436 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.9 ptm -73.78 -22.92 59.67 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.424 -0.353 . . . . 54.11 111.25 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 19' ' ' VAL . 73.4 mt -68.69 -50.02 59.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 N-CA-C 108.421 -0.955 . . . . 74.45 108.421 170.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.04 -40.21 66.88 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.638 0.775 . . . . 63.5 111.22 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.07 -51.49 53.87 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 124.063 0.852 . . . . 64.1 110.573 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.68 -35.42 77.94 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 123.864 0.727 . . . . 63.51 111.053 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.49 -53.97 16.52 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 109.87 -0.418 . . . . 65.43 109.87 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -62.4 -38.82 91.13 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.872 0.869 . . . . 72.53 112.386 -168.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.1 p -86.29 -36.55 19.26 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.977 -0.556 . . . . 71.31 112.208 -175.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -103.36 -58.02 1.94 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.205 0.602 . . . . 75.42 111.446 -170.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.41 HD11 ' SD ' ' A' ' 77' ' ' MET . 50.9 mm -83.78 -48.04 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 116.204 -0.453 . . . . 73.54 111.171 -166.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -53.07 -53.05 59.79 Favored Pre-proline 0 CA--C 1.553 1.081 0 CA-C-O 117.43 -1.271 . . . . 73.32 111.875 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.494 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 50.0 Cg_exo -55.18 -41.93 73.77 Favored 'Trans proline' 0 C--N 1.404 3.471 0 C-N-CA 122.346 2.03 . . . . 71.22 112.325 178.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.6 m -59.68 -50.76 72.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.811 0.845 . . . . 65.13 111.36 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.502 HG13 ' SG ' ' A' ' 60' ' ' CYS . 38.3 t -71.74 -26.25 25.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 C-N-CA 123.154 0.582 . . . . 62.54 111.052 -176.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -72.88 -30.89 64.32 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.784 0.434 . . . . 74.24 110.543 173.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 22.6 mm-40 -74.0 -27.08 60.79 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.004 0.522 . . . . 75.53 110.352 172.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.81 -21.4 57.37 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.809 0.844 . . . . 61.12 110.041 170.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.56 -16.43 24.03 Favored Glycine 0 C--N 1.346 1.111 0 CA-C-N 116.148 -0.478 . . . . 72.14 113.393 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.79 -145.81 19.83 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 112.302 -0.319 . . . . 32.34 112.302 177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -171.71 158.85 5.12 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.247 1.019 . . . . 72.23 109.339 173.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.9 m -115.94 115.68 49.99 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 N-CA-C 108.194 -1.039 . . . . 73.51 108.194 174.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 43' ' ' ILE . 3.1 mp -107.99 119.98 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 107.847 -1.168 . . . . 72.34 107.847 -175.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -69.5 113.79 7.13 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 109.639 -0.504 . . . . 73.32 109.639 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -102.34 -29.25 11.76 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.063 0.945 . . . . 73.14 111.782 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.98 -171.31 42.89 Favored Glycine 0 C--N 1.35 1.309 0 C-N-CA 120.759 -0.734 . . . . 71.23 114.391 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -150.29 110.7 4.21 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 106.633 -1.617 . . . . 75.35 106.633 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -131.17 131.94 44.4 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.329 -0.989 . . . . 64.33 108.329 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 77.08 -33.41 0.2 Allowed 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 125.413 1.485 . . . . 75.03 113.213 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 138.84 -5.74 3.12 Favored Glycine 0 N--CA 1.472 1.034 0 N-CA-C 110.781 -0.928 . . . . 51.12 110.781 -166.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.82 124.4 50.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 C-N-CA 124.031 0.932 . . . . 75.0 109.406 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.579 ' HB ' HG22 ' A' ' 88' ' ' VAL . 44.8 t -84.99 113.82 24.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 N-CA-C 108.493 -0.928 . . . . 63.02 108.493 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -91.01 115.7 28.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.305 0.642 . . . . 72.43 109.738 -176.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.9 mt -128.22 137.13 51.9 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.476 1.11 . . . . 75.33 110.202 -175.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.37 130.74 34.53 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.886 -0.783 . . . . 70.23 108.886 172.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' HB2' HE21 ' A' ' 90' ' ' GLN . 41.7 mt -103.25 143.46 32.61 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 108.307 -0.997 . . . . 70.4 108.307 173.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -95.11 175.34 6.66 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.163 0.585 . . . . 75.43 110.566 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.44 65.82 3.93 Favored Glycine 0 C--N 1.352 1.45 0 N-CA-C 115.028 0.771 . . . . 74.11 115.028 -169.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.9 m -148.7 -51.98 0.17 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.383 -1.34 . . . . 74.11 107.383 171.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.562 ' SG ' HD22 ' A' ' 70' ' ' LEU . 55.8 m -69.48 -40.27 77.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.518 0.727 . . . . 51.55 109.916 170.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.542 ' HA ' HG12 ' A' ' 67' ' ' ILE . 13.2 m -74.09 -16.58 61.02 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 114.402 -1.272 . . . . 74.33 111.784 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.3 m -72.41 -9.99 59.22 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.634 0.774 . . . . 73.31 112.955 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.8 m -136.65 118.94 11.63 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 123.532 0.733 . . . . 70.13 109.574 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -52.33 -44.64 45.14 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 124.032 3.155 . . . . 64.41 115.047 -172.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.3 t -73.21 -35.38 66.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.373 0.269 . . . . 65.13 110.903 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.0 m -64.14 -30.9 71.94 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.138 0.575 . . . . 71.32 111.826 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.542 HG12 ' HA ' ' A' ' 61' ' ' THR . 70.6 mt -58.44 -55.35 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.89 0.876 . . . . 71.34 110.227 171.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.87 -42.8 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 114.633 -1.167 . . . . 72.34 110.389 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.7 m -67.16 -43.37 82.41 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 123.829 0.706 . . . . 72.24 111.128 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.562 HD22 ' SG ' ' A' ' 60' ' ' CYS . 58.8 tp -65.05 -49.26 70.82 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.344 0.402 . . . . 63.55 109.967 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 tmmm? -55.57 -43.37 75.86 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 124.25 0.969 . . . . 74.32 110.758 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.412 ' HA ' HE21 ' A' ' 75' ' ' GLN . 94.5 m-20 -73.46 -34.56 65.45 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.587 0.755 . . . . 72.01 111.899 -178.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.69 -44.81 91.8 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 112.162 -0.375 . . . . 62.44 112.162 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.19 -41.61 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.22 1.008 . . . . 72.44 109.778 174.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.412 HE21 ' HA ' ' A' ' 72' ' ' ASN . 10.6 tt0 -59.46 -47.73 84.38 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 124.314 1.046 . . . . 64.11 110.206 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -64.68 -37.5 87.79 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.522 0.729 . . . . 73.41 111.161 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.41 ' SD ' HD11 ' A' ' 31' ' ' ILE . 41.0 ttp -65.7 -53.91 34.54 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 120.958 0.408 . . . . 60.45 110.548 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.548 ' HB3' HG21 ' A' ' 85' ' ' VAL . 93.0 mt -65.69 -30.53 71.23 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.241 -0.89 . . . . 72.34 111.765 -177.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -74.59 -35.18 63.0 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.905 0.482 . . . . 65.2 110.812 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -61.43 -45.44 94.32 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.468 0.707 . . . . 71.53 110.306 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -85.28 -58.94 2.48 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.804 -0.634 . . . . 64.51 110.711 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.7 mt -97.44 122.03 56.75 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.035 0.934 . . . . 75.35 110.333 -172.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -75.54 -20.53 15.74 Favored 'Trans proline' 0 C--N 1.37 1.663 0 C-N-CA 122.572 2.181 . . . . 73.12 112.672 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.16 -25.24 63.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.451 0.701 . . . . 70.23 112.306 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 78' ' ' LEU . 91.4 t -72.9 96.8 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 N-CA-C 109.516 -0.55 . . . . 62.53 109.516 175.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -69.98 -33.96 72.75 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.744 -0.662 . . . . 75.22 110.092 170.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -172.3 -173.79 39.21 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-N 115.68 -0.691 . . . . 74.41 113.444 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.579 HG22 ' HB ' ' A' ' 52' ' ' VAL . 78.5 t -132.47 149.27 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.363 0 C-N-CA 124.982 1.313 . . . . 74.51 108.352 175.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -136.74 150.53 48.46 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.426 0.69 . . . . 71.53 110.311 177.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.442 HE22 HG23 ' A' ' 61' ' ' THR . 51.5 tt0 -88.07 118.19 27.47 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.175 0.99 . . . . 75.35 109.923 175.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.43 108.39 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 123.667 0.787 . . . . 55.34 109.265 176.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 79.5 mtp -106.88 88.58 2.78 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.616 0.767 . . . . 72.1 111.021 -172.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -96.6 126.42 41.76 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.096 -1.075 . . . . 72.52 108.096 169.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -155.24 -66.41 0.12 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.446 -0.946 . . . . 74.45 108.446 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -77.11 -33.03 56.92 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 109.025 -0.731 . . . . 73.1 109.025 167.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.3 m 60.09 31.47 20.59 Favored 'General case' 0 C--N 1.36 1.039 0 O-C-N 124.308 1.005 . . . . 71.3 110.836 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 C--O 1.249 1.074 0 C-N-CA 123.983 0.913 . . . . 64.32 109.68 -167.289 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 ttm . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 119.771 -0.157 . . . . 75.33 111.057 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.8 77.75 0.39 Allowed Glycine 0 C--N 1.358 1.754 0 N-CA-C 112.23 -0.348 . . . . 54.34 112.23 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -147.24 170.89 16.3 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.189 0.996 . . . . 65.25 108.55 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -138.96 -166.8 2.09 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.385 -0.968 . . . . 74.2 108.385 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -144.94 124.73 13.37 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 107.793 -1.188 . . . . 71.43 107.793 168.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -137.77 133.45 34.08 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.195 0.521 . . . . 74.3 110.887 -176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -111.92 140.24 46.75 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 106.857 -1.534 . . . . 52.21 106.857 169.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -63.95 -17.38 63.21 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.006 0.522 . . . . 71.51 111.888 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -57.78 89.56 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.398 1.079 . . . . 52.43 111.937 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -82.36 83.22 7.54 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 107.1 -1.445 . . . . 74.41 107.1 172.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.5 tpt 60.18 78.0 0.3 Allowed 'General case' 0 CA--C 1.549 0.911 0 O-C-N 124.295 0.997 . . . . 64.44 109.456 -166.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.48 58.51 0.34 Allowed Glycine 0 C--N 1.34 0.795 0 CA-C-N 114.813 -1.085 . . . . 44.54 111.158 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.658 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . 36.1 m -132.28 126.6 33.76 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.175 0.99 . . . . 65.11 108.936 -179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.36 -26.01 66.27 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.172 0.589 . . . . 71.1 111.263 -176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -129.94 81.3 2.0 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.395 1.078 . . . . 74.44 109.277 175.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.658 ' HB3' ' HB2' ' A' ' 13' ' ' SER . 7.5 p-10 -113.27 159.65 19.13 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.687 0.795 . . . . 71.02 110.069 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -83.46 -10.92 58.07 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.733 -0.667 . . . . 73.24 111.516 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.15 -48.68 24.61 Favored Glycine 0 C--N 1.353 1.482 0 O-C-N 123.065 0.228 . . . . 53.45 112.778 -176.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.1 t -62.03 -45.92 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.418 0.687 . . . . 41.44 109.505 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 68.8 t -56.86 -44.09 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 124.08 0.952 . . . . 73.42 111.142 178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.61 -42.22 78.46 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.712 0.805 . . . . 73.04 111.63 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 23.1 ptm -74.86 -27.41 60.25 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-O 119.228 -0.415 . . . . 74.54 110.881 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.5 mt -64.1 -48.85 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 108.628 -0.878 . . . . 70.21 108.628 171.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 97.3 mttt -56.45 -41.89 77.23 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.862 0.726 . . . . 72.3 111.938 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.0 -43.78 64.52 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 109.468 -0.567 . . . . 74.14 109.468 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.59 -30.14 70.49 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.481 0.713 . . . . 74.21 110.778 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.96 -57.12 4.27 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 122.936 0.494 . . . . 71.13 109.767 172.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.32 -32.66 74.35 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.846 0.858 . . . . 63.41 112.821 -168.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 80.4 p -91.45 -28.58 17.54 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.661 0.785 . . . . 73.03 111.685 -174.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -116.17 -58.37 2.11 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.934 0.493 . . . . 75.14 111.518 -170.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.431 ' O ' HG23 ' A' ' 35' ' ' VAL . 45.4 mm -77.22 -58.42 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 123.315 0.646 . . . . 71.21 111.434 -170.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -48.31 -48.48 65.74 Favored Pre-proline 0 N--CA 1.482 1.173 0 CA-C-O 117.425 -1.274 . . . . 62.1 112.749 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.49 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 80.9 Cg_exo -48.51 -51.91 9.43 Favored 'Trans proline' 0 C--N 1.399 3.189 0 C-N-CA 122.376 2.051 . . . . 71.34 112.58 173.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.7 m -59.92 -44.82 94.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.148 0.979 . . . . 52.32 112.35 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 31' ' ' ILE . 4.2 t -71.06 -31.64 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 122.752 0.421 . . . . 74.41 110.574 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -73.88 -27.47 61.08 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.177 0.591 . . . . 63.22 111.194 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 19.7 mm-40 -70.81 -37.69 73.25 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 108.91 -0.774 . . . . 74.14 108.91 171.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.57 -21.98 62.63 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.273 1.029 . . . . 73.2 111.469 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.88 -18.08 9.9 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 119.902 -0.388 . . . . 44.32 113.587 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.0 -145.05 14.79 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 116.982 0.391 . . . . 61.45 112.787 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.423 ' H ' ' HB2' ' A' ' 57' ' ' GLN . 27.1 t0 -172.17 165.08 6.08 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.243 1.017 . . . . 75.54 109.579 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.7 m -125.71 125.15 68.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.917 0.887 . . . . 64.21 109.018 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.56 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -110.17 125.81 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 N-CA-C 108.71 -0.848 . . . . 64.12 108.71 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -65.64 113.74 4.45 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 122.828 0.451 . . . . 75.5 110.65 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.464 ' HD2' ' HB2' ' A' ' 55' ' ' LYS . 9.3 mmpt? -93.53 -41.28 9.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.677 0.791 . . . . 74.44 110.993 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.54 -176.51 46.83 Favored Glycine 0 C--N 1.344 0.984 0 O-C-N 123.61 0.569 . . . . 60.33 113.355 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -155.02 118.51 4.5 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.713 1.205 . . . . 70.01 107.977 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -147.66 144.25 28.23 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.098 0.559 . . . . 75.55 109.745 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.8 t70 66.3 -82.75 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.804 1.241 . . . . 75.43 109.623 -172.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.27 13.18 0.24 Allowed Glycine 0 C--N 1.338 0.684 0 N-CA-C 110.817 -0.913 . . . . 74.13 110.817 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.1 mm -106.15 117.22 51.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 C-N-CA 123.504 0.722 . . . . 70.42 109.528 -173.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.518 ' HB ' HG22 ' A' ' 88' ' ' VAL . 21.2 t -86.34 109.4 18.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.515 -0.92 . . . . 63.4 108.515 176.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -85.51 122.14 29.21 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.362 -0.977 . . . . 74.2 108.362 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.1 mt -131.48 140.01 49.46 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.248 0.619 . . . . 73.02 110.541 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 77.4 tttt -87.65 121.83 30.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 114.998 -1.001 . . . . 70.42 109.077 174.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.09 146.65 23.49 Favored 'General case' 0 C--O 1.242 0.67 0 N-CA-C 108.119 -1.067 . . . . 65.33 108.119 170.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.423 ' HB2' ' H ' ' A' ' 41' ' ' ASP . 25.2 mm-40 -91.11 161.99 14.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.966 0.506 . . . . 65.24 110.455 -178.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.409 ' HA2' ' OG1' ' A' ' 61' ' ' THR . . . -73.75 67.35 1.66 Allowed Glycine 0 C--N 1.352 1.449 0 O-C-N 124.461 1.101 . . . . 63.35 113.094 -177.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.6 m -156.75 -59.06 0.09 Allowed 'General case' 0 C--O 1.234 0.258 0 N-CA-C 106.714 -1.587 . . . . 73.22 106.714 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 37.4 t -69.84 -36.6 75.71 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.582 -0.735 . . . . 72.21 110.601 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.409 ' OG1' ' HA2' ' A' ' 58' ' ' GLY . 34.8 p -63.48 -27.07 69.02 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.812 0.845 . . . . 62.31 112.037 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.1 m -61.6 -22.35 65.14 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.024 0.93 . . . . 61.13 112.527 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 81.6 m -124.47 112.79 27.65 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 123.972 0.909 . . . . 65.52 109.224 175.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.91 -28.08 86.41 Favored 'Trans proline' 0 C--N 1.381 2.239 0 C-N-CA 123.073 2.515 . . . . 74.11 113.248 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 t -73.15 -32.42 64.86 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.814 0.446 . . . . 72.53 110.557 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.1 m -66.22 -36.58 83.41 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.518 0.327 . . . . 74.13 110.483 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.1 mt -59.68 -50.42 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.704 0.802 . . . . 64.15 110.538 177.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.64 -50.86 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.318 0.647 . . . . 60.53 110.755 -178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.2 m -60.63 -45.42 94.12 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.553 0.741 . . . . 40.51 111.587 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.423 ' O ' HG13 ' A' ' 74' ' ' ILE . 34.5 tp -63.98 -53.47 49.66 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.729 0.643 . . . . 63.22 110.227 -177.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -56.82 -41.97 78.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.062 0.945 . . . . 72.0 111.142 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.26 -43.2 87.18 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.309 0.644 . . . . 64.32 111.563 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.49 -44.51 97.49 Favored Glycine 0 C--N 1.346 1.097 0 O-C-N 123.513 0.508 . . . . 42.24 112.038 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 70' ' ' LEU . 71.6 mt -64.02 -47.49 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.664 0.786 . . . . 73.31 109.93 177.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -58.32 -51.73 68.57 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.26 0.975 . . . . 72.03 110.975 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.43 -34.6 78.32 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 124.11 0.881 . . . . 44.15 111.334 -176.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 34.9 ttp -65.79 -52.08 53.74 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.54 0.525 . . . . 72.21 110.54 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.555 ' HB3' HG21 ' A' ' 85' ' ' VAL . 91.2 mt -62.4 -38.26 88.95 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.628 0.771 . . . . 52.15 111.004 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 70.9 mt-30 -65.44 -37.7 87.69 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.337 0.655 . . . . 71.54 111.286 176.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -63.04 -31.43 72.57 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.739 0.816 . . . . 62.32 111.433 -175.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -105.76 -21.81 13.09 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.293 0.637 . . . . 60.01 111.974 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.8 mt -133.81 108.78 11.87 Favored Pre-proline 0 N--CA 1.488 1.472 0 C-N-CA 123.774 0.83 . . . . 75.41 109.782 -173.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -70.86 -11.77 29.87 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 122.661 2.241 . . . . 74.53 113.304 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.22 -35.54 78.1 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.478 0.711 . . . . 71.35 110.846 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 78' ' ' LEU . 85.0 t -69.03 105.02 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 115.86 -0.609 . . . . 72.21 109.845 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -84.19 -30.16 26.01 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.099 0.96 . . . . 64.32 110.727 170.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.22 -173.01 37.93 Favored Glycine 0 C--N 1.348 1.22 0 CA-C-N 116.33 -0.396 . . . . 45.44 113.488 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.518 HG22 ' HB ' ' A' ' 52' ' ' VAL . 55.3 t -137.57 133.21 45.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.892 1.277 . . . . 75.14 108.75 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -107.11 137.31 45.41 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.138 0.975 . . . . 60.2 109.397 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -85.86 128.97 34.95 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.579 -0.897 . . . . 75.55 108.579 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 3.5 m -136.51 162.04 35.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.216 1.407 . . . . 72.05 107.27 166.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.533 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 17.8 ptm -143.5 84.16 1.8 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.876 0.846 . . . . 75.23 110.012 171.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -136.64 155.39 49.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.676 1.19 . . . . 74.32 108.949 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -174.92 -167.08 0.26 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.643 0.777 . . . . 70.51 110.96 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -115.12 -5.16 12.44 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.627 1.171 . . . . 63.35 112.093 -174.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.1 t -113.37 12.72 18.86 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.826 0.85 . . . . 75.25 111.231 -172.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 CA--C 1.552 1.048 0 C-N-CA 123.87 0.868 . . . . 74.54 111.024 178.295 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 120.699 0.285 . . . . 73.33 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.8 171.37 41.96 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 116.183 -0.462 . . . . 73.53 112.129 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.2 p-80 -80.32 75.83 7.12 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.662 0.744 . . . . 73.32 109.718 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -75.55 95.99 3.43 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 122.11 0.957 . . . . 62.22 110.49 -174.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -124.06 126.24 45.9 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 107.611 -1.255 . . . . 74.42 107.611 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -77.19 79.32 3.71 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.129 0.966 . . . . 75.45 110.703 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.0 p80 -98.35 19.07 15.01 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.878 -1.055 . . . . 53.33 111.115 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -129.89 76.88 1.75 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.548 0.739 . . . . 70.45 109.189 172.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.1 t -139.08 109.13 6.36 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.003 -0.999 . . . . 75.34 108.378 172.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -64.17 -33.8 76.62 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.909 -0.587 . . . . 75.41 111.005 176.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.3 mmt -77.73 113.36 15.5 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 109.295 -0.631 . . . . 74.41 109.295 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.23 85.98 0.32 Allowed Glycine 0 C--N 1.345 1.044 0 N-CA-C 111.324 -0.71 . . . . 71.45 111.324 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.5 p -69.24 106.46 2.88 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 122.775 0.43 . . . . 74.44 109.969 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.81 142.14 58.05 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 108.723 -0.843 . . . . 74.22 108.723 172.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 47' ' ' PHE . 12.5 mm-40 -63.12 122.7 16.75 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 108.222 -1.029 . . . . 72.22 108.222 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -53.8 122.92 10.95 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.566 1.166 . . . . 61.34 110.781 -171.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.556 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 6.6 p-10 -70.94 -7.81 48.64 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.136 0.574 . . . . 74.34 112.018 -175.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.43 -46.29 20.57 Favored Glycine 0 C--N 1.353 1.498 0 N-CA-C 111.044 -0.823 . . . . 54.24 111.044 166.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.471 HG13 HD13 ' A' ' 82' ' ' ILE . 57.2 t -58.85 -49.73 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.674 0.79 . . . . 71.0 109.905 172.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 41.9 t -59.38 -43.76 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.978 1.311 . . . . 74.33 111.631 -179.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.61 90.72 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.337 0.655 . . . . 72.23 111.994 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.408 ' HG3' HD11 ' A' ' 82' ' ' ILE . 21.7 ptm -74.46 -24.55 59.06 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 119.299 -0.381 . . . . 72.11 111.036 -177.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 19' ' ' VAL . 82.0 mt -64.08 -50.94 74.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.113 0 N-CA-C 108.8 -0.815 . . . . 72.45 108.8 170.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -52.49 -41.65 63.59 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 124.067 0.854 . . . . 73.14 111.25 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.18 -51.86 58.5 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 124.107 0.88 . . . . 52.14 110.779 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.1 mt -58.63 -33.91 70.58 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 123.782 0.833 . . . . 53.21 111.379 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.8 mt -69.29 -56.35 7.81 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.88 -0.6 . . . . 73.44 109.831 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -65.21 -34.06 77.48 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.739 0.816 . . . . 53.31 112.14 -167.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.8 p -86.27 -49.29 7.8 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.282 0.633 . . . . 70.1 111.565 -176.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mtp-105 -91.83 -59.19 2.18 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 122.5 0.32 . . . . 71.13 111.384 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 35' ' ' VAL . 44.9 mm -75.93 -60.33 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-O 118.644 -0.693 . . . . 73.12 111.598 -163.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 74.8 mtp180 -45.78 -53.16 21.53 Favored Pre-proline 0 N--CA 1.489 1.506 0 CA-C-O 117.366 -1.302 . . . . 74.5 112.327 -176.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 78.5 Cg_exo -51.95 -45.0 41.48 Favored 'Trans proline' 0 C--N 1.404 3.479 0 C-N-CA 122.965 2.444 . . . . 63.33 113.342 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.1 m -60.55 -47.67 85.16 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.213 1.005 . . . . 72.41 111.672 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 31' ' ' ILE . 15.3 t -69.08 -31.5 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 115.263 -0.881 . . . . 72.3 110.625 -177.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -71.36 -23.9 61.99 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.6 0.76 . . . . 75.43 111.584 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -66.53 -36.43 82.68 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.862 -0.421 . . . . 61.43 109.862 172.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -77.63 -23.43 49.76 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.376 -0.829 . . . . 73.21 110.683 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.51 -3.53 29.4 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 116.218 -0.446 . . . . 44.11 113.177 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.86 -158.52 33.12 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 112.182 -0.367 . . . . 63.32 112.182 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -173.33 160.19 3.92 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.171 0.988 . . . . 73.3 108.966 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.9 m -123.76 125.14 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 N-CA-C 109.195 -0.669 . . . . 70.45 109.195 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.506 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.5 mp -113.84 127.61 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 107.852 -1.166 . . . . 70.32 107.852 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -67.97 119.04 11.96 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 110.162 -0.31 . . . . 74.44 110.162 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.578 ' HG3' HG23 ' A' ' 91' ' ' VAL . 10.9 mmpt? -99.44 -45.51 5.81 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.493 0.717 . . . . 75.2 110.557 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.97 -172.98 44.55 Favored Glycine 0 C--N 1.34 0.797 0 C-N-CA 121.341 -0.457 . . . . 55.03 113.866 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.444 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 20.7 t80 -153.97 115.26 4.12 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 106.334 -1.728 . . . . 75.42 106.334 -178.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.89 134.67 15.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.045 0.538 . . . . 63.15 110.161 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.74 24.6 14.67 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.628 1.171 . . . . 72.43 111.113 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.3 -1.27 88.63 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 115.976 -0.556 . . . . 31.3 113.721 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mm -96.24 110.77 25.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 C-N-CA 123.859 0.864 . . . . 74.31 109.718 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.528 HG21 HD13 ' A' ' 78' ' ' LEU . 38.3 t -79.84 104.34 7.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 108.161 -1.051 . . . . 63.4 108.161 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.562 ' HB3' HG21 ' A' ' 91' ' ' VAL . 73.6 mt-30 -88.41 122.73 32.23 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 109.254 -0.647 . . . . 74.23 109.254 -175.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.8 mt -131.36 142.6 50.1 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.924 0.89 . . . . 51.34 111.597 -172.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.516 ' HG3' ' HA ' ' A' ' 92' ' ' MET . 86.3 tttt -89.41 116.54 27.68 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.015 0.926 . . . . 62.14 109.611 176.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.2 mt -92.76 146.15 23.86 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.251 -0.648 . . . . 72.13 109.251 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -102.28 176.12 5.29 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.116 0.567 . . . . 62.24 110.666 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.91 166.63 2.66 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 123.957 0.786 . . . . 64.34 114.955 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.2 t 77.07 -57.04 0.53 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.709 1.604 . . . . 44.23 110.658 -173.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.476 ' SG ' HG13 ' A' ' 35' ' ' VAL . 58.5 m -62.96 -40.07 96.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.464 0.706 . . . . 52.22 110.68 173.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.437 HG21 ' SD ' ' A' ' 92' ' ' MET . 55.3 p -80.46 -11.25 59.7 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.348 -0.842 . . . . 63.23 112.572 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.5 m -66.62 -29.42 69.46 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.036 0.534 . . . . 65.4 111.436 177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 72.9 m -122.32 121.82 27.65 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 123.639 0.775 . . . . 73.5 110.243 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -53.75 -39.04 85.24 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 123.25 2.634 . . . . 71.24 112.335 173.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 p -63.02 -36.75 84.6 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.988 0.915 . . . . 52.35 111.503 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.6 m -71.77 -34.81 69.76 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.061 0.545 . . . . 62.1 110.987 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.29 -46.3 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 123.305 0.642 . . . . 73.34 109.963 173.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.25 -54.2 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.077 0.951 . . . . 72.41 110.846 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 50.3 m -59.07 -45.11 91.63 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.954 0.902 . . . . 74.43 111.226 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.71 -50.11 70.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.289 0.635 . . . . 72.25 110.64 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.35 -37.81 70.53 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.348 1.059 . . . . 72.32 111.185 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -69.82 -41.42 75.03 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.906 0.883 . . . . 72.3 111.746 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.61 -45.58 95.52 Favored Glycine 0 C--N 1.343 0.964 0 N-CA-C 111.897 -0.481 . . . . 53.4 111.897 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.62 -42.84 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.241 1.016 . . . . 72.4 110.233 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.428 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 34.6 tt0 -56.48 -60.4 3.58 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.731 0.813 . . . . 64.11 110.675 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -60.04 -36.83 78.16 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.49 0.716 . . . . 73.2 111.809 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 42.6 ttp -58.41 -58.45 8.44 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 123.5 0.5 . . . . 65.4 109.808 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.58 ' HB3' HG21 ' A' ' 85' ' ' VAL . 95.3 mt -63.94 -31.35 72.51 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.683 0.793 . . . . 63.32 111.7 -177.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -76.14 -23.47 54.82 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.798 0.839 . . . . 72.22 112.149 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -69.01 -45.99 69.13 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 123.617 0.573 . . . . 71.32 109.846 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -86.09 -37.67 18.59 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.664 -0.698 . . . . 73.15 110.798 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.471 HD13 HG13 ' A' ' 19' ' ' VAL . 45.7 mt -124.34 107.89 29.68 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 124.117 0.967 . . . . 61.24 109.766 -170.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.11 -4.69 15.83 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.546 2.164 . . . . 61.34 113.21 175.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -78.39 -12.74 60.02 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.005 0.522 . . . . 74.12 111.304 175.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.58 HG21 ' HB3' ' A' ' 78' ' ' LEU . 99.3 t -84.38 104.58 12.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 N-CA-C 109.761 -0.459 . . . . 61.2 109.761 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.32 -35.95 66.15 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.031 0.932 . . . . 74.23 110.569 171.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.428 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -179.58 -170.53 41.45 Favored Glycine 0 C--N 1.34 0.776 0 CA-C-N 115.858 -0.61 . . . . 64.31 112.513 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 73.1 t -130.99 149.32 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.108 1.363 . . . . 62.21 108.673 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -137.96 149.78 46.45 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.309 0.643 . . . . 75.14 110.337 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -85.53 127.67 34.51 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.835 0.854 . . . . 75.2 109.205 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.578 HG23 ' HG3' ' A' ' 45' ' ' LYS . 2.6 m -143.13 110.01 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.286 1.434 . . . . 74.52 108.569 173.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.516 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 44.9 mtm -111.4 105.83 14.57 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.57 -0.706 . . . . 71.42 110.051 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -74.91 82.8 2.19 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 107.753 -1.203 . . . . 62.14 107.753 167.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -67.96 127.44 32.87 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 114.695 -1.138 . . . . 72.14 110.259 -170.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.72 2.74 7.6 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.923 0.889 . . . . 75.24 112.454 -175.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.1 m -87.3 49.27 1.78 Allowed 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 124.189 0.996 . . . . 71.22 109.553 168.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 124.461 1.104 . . . . 65.34 108.926 -177.923 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 120.446 0.165 . . . . 73.15 111.086 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.67 94.95 0.78 Allowed Glycine 0 C--N 1.352 1.422 0 N-CA-C 111.737 -0.545 . . . . 44.54 111.737 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -150.56 72.96 1.11 Allowed 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.569 0.699 . . . . 72.32 110.687 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -172.04 98.29 0.17 Allowed 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 108.494 -0.928 . . . . 50.13 108.494 171.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -88.29 107.62 18.91 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.234 -0.654 . . . . 64.05 109.234 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -80.56 147.24 30.88 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.396 -0.594 . . . . 74.45 109.396 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -119.62 153.77 35.0 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.493 0.717 . . . . 73.24 111.265 -170.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -103.58 -48.14 4.05 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.923 0.889 . . . . 73.11 109.987 170.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 p -78.46 82.43 4.73 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-O 121.181 0.515 . . . . 72.12 110.695 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -91.61 95.96 10.2 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.072 -1.085 . . . . 72.04 108.072 178.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.1 mtt -73.59 163.79 27.53 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.615 0.766 . . . . 53.04 111.128 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.18 -0.6 71.4 Favored Glycine 0 C--N 1.344 1.001 0 CA-C-N 115.408 -0.814 . . . . 61.43 113.367 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.3 m -72.32 78.23 1.0 Allowed 'General case' 0 C--O 1.239 0.522 0 C-N-CA 124.071 0.948 . . . . 73.14 110.534 176.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -138.62 156.75 47.18 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.114 0.966 . . . . 75.24 110.169 -173.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.13 137.7 24.83 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 107.253 -1.388 . . . . 72.14 107.253 162.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.15 106.1 2.3 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.206 -0.664 . . . . 72.3 109.206 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -61.37 -23.14 65.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.615 0.766 . . . . 74.41 110.927 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.39 -40.81 79.54 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.909 0.755 . . . . 52.21 112.528 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 23' ' ' ILE . 55.5 t -63.09 -50.57 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.294 0.638 . . . . 71.51 109.646 173.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.471 HG12 ' HE3' ' A' ' 24' ' ' LYS . 98.2 t -57.9 -42.02 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.193 0.997 . . . . 75.23 110.846 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.75 -45.16 83.64 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.854 0.862 . . . . 65.13 111.289 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.5 ptm -74.37 -24.84 59.21 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 119.096 -0.478 . . . . 62.44 110.8 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 19' ' ' VAL . 78.8 mt -62.83 -48.27 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 N-CA-C 108.579 -0.897 . . . . 75.11 108.579 171.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE3' HG12 ' A' ' 20' ' ' VAL . 97.9 mttt -55.92 -41.72 74.99 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.012 0.82 . . . . 74.14 111.986 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.78 -42.6 63.78 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 110.051 -0.352 . . . . 71.25 110.051 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.3 -32.11 73.43 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.727 0.811 . . . . 73.33 110.967 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.16 -56.85 8.19 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 108.945 -0.761 . . . . 75.04 108.945 171.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.06 -31.77 72.98 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.453 0.701 . . . . 72.15 112.845 -170.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.3 p -92.17 -37.9 12.45 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.747 0.819 . . . . 62.35 111.925 -174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -106.96 -57.55 2.05 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.847 0.459 . . . . 64.13 112.138 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.2 mm -75.99 -63.79 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 122.724 0.41 . . . . 73.44 111.306 -167.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -43.73 -50.92 17.62 Favored Pre-proline 0 CA--C 1.56 1.363 0 CA-C-O 117.375 -1.298 . . . . 72.12 113.429 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.95 -46.68 32.17 Favored 'Trans proline' 0 C--N 1.397 3.105 0 C-N-CA 122.614 2.209 . . . . 73.01 113.219 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 87.2 m -61.81 -43.37 98.98 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.937 0.895 . . . . 74.35 111.578 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 70' ' ' LEU . 9.7 t -72.5 -30.04 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.319 0.648 . . . . 51.11 110.738 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -74.35 -25.87 59.78 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.401 0.68 . . . . 72.41 110.882 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.43 -32.37 62.62 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.237 0.615 . . . . 52.12 109.643 169.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -76.06 -21.02 57.23 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.372 -0.831 . . . . 74.55 111.084 178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.42 -26.04 5.84 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 116.473 -0.331 . . . . 70.25 113.248 172.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.44 -142.45 11.2 Favored Glycine 0 N--CA 1.472 1.061 0 CA-C-N 116.851 0.325 . . . . 55.14 112.852 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -174.2 164.65 4.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.212 1.005 . . . . 72.12 109.233 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.2 m -121.07 124.22 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 109.026 -0.731 . . . . 75.4 109.026 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -106.71 124.66 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.331 -0.989 . . . . 72.12 108.331 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -69.79 107.62 3.58 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 123.618 0.573 . . . . 71.23 110.05 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -98.65 -34.41 10.57 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.736 0.814 . . . . 71.34 111.326 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.04 -176.94 47.25 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 115.165 0.826 . . . . 74.25 115.165 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -156.73 109.43 2.55 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 125.24 1.416 . . . . 72.31 107.32 176.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -141.89 131.26 23.66 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.117 -1.068 . . . . 73.34 108.117 -176.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 63.3 23.47 13.81 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.393 1.077 . . . . 72.13 110.727 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.5 ' HA3' ' HG2' ' A' ' 86' ' ' GLU . . . 81.1 6.45 89.41 Favored Glycine 0 C--N 1.349 1.291 0 CA-C-N 115.891 -0.595 . . . . 71.13 113.538 -176.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.6 mm -100.95 115.64 42.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 123.637 0.775 . . . . 73.21 109.556 -177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.583 ' HB ' HG22 ' A' ' 88' ' ' VAL . 32.2 t -82.38 110.61 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 123.919 0.888 . . . . 75.43 109.257 -178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -88.9 120.3 30.18 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.119 0.568 . . . . 74.42 109.492 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.1 mt -129.23 143.8 50.99 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.629 0.772 . . . . 65.23 110.363 -177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.539 ' HE3' ' NE2' ' A' ' 57' ' ' GLN . 55.7 tttp -90.15 125.74 35.56 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.827 -0.805 . . . . 71.0 108.827 169.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.8 mt -94.54 139.46 31.14 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 108.323 -0.992 . . . . 43.43 108.323 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.539 ' NE2' ' HE3' ' A' ' 55' ' ' LYS . 71.4 mm-40 -94.75 169.03 10.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.143 0.577 . . . . 63.14 110.99 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.51 151.27 32.78 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 115.462 -0.79 . . . . 62.43 112.784 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.5 m 72.56 9.49 5.69 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.234 1.414 . . . . 71.11 111.858 -171.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 67.9 m -137.28 -37.53 0.63 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.353 1.061 . . . . 73.12 109.395 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -96.69 3.11 52.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.566 0.747 . . . . 63.31 111.401 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.1 m -74.4 -39.44 62.67 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.056 0.542 . . . . 65.41 110.891 -176.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 82.5 m -107.11 122.54 41.15 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 123.642 0.777 . . . . 73.24 109.507 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.35 -33.71 92.3 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.489 2.793 . . . . 74.45 113.394 178.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.7 m -59.83 -45.65 91.73 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.381 0.672 . . . . 74.22 110.683 175.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.8 m -67.29 -34.69 77.93 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.173 -0.921 . . . . 73.33 111.1 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 76.5 mt -60.2 -51.45 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.349 0.659 . . . . 72.31 110.515 176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.02 -51.68 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.529 0.731 . . . . 72.24 110.81 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.8 m -59.84 -46.84 88.01 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.857 0.863 . . . . 75.11 111.146 -177.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.472 HD11 HG22 ' A' ' 35' ' ' VAL . 46.0 tp -62.56 -53.26 57.3 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.749 0.656 . . . . 73.44 110.239 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.34 -39.5 76.03 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.379 1.072 . . . . 75.03 111.698 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -67.69 -38.95 84.4 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.499 0.72 . . . . 72.41 111.263 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -64.73 -47.24 85.5 Favored Glycine 0 C--N 1.348 1.195 0 O-C-N 123.48 0.488 . . . . 65.24 112.082 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 70' ' ' LEU . 57.4 mt -60.15 -43.93 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 124.04 0.936 . . . . 72.54 109.863 176.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.444 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 9.1 tt0 -58.65 -57.62 12.2 Favored 'General case' 0 C--O 1.22 -0.473 0 O-C-N 124.424 1.077 . . . . 63.15 111.06 -178.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.422 ' N ' HD22 ' A' ' 76' ' ' ASN . 0.8 OUTLIER -66.94 -27.01 67.13 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.319 0.647 . . . . 60.21 111.667 -175.026 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -69.93 -53.07 19.53 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.704 -0.48 . . . . 74.23 109.704 174.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.567 ' HB3' HG21 ' A' ' 85' ' ' VAL . 75.1 mt -62.91 -28.46 70.07 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.617 0.767 . . . . 52.4 111.684 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.5 mt-30 -78.55 -31.13 47.29 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.627 0.771 . . . . 53.21 111.189 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -64.65 -41.64 95.98 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.158 0.583 . . . . 62.31 110.183 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -86.13 -34.29 20.64 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.642 0.777 . . . . 64.25 111.536 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.483 HG22 ' H ' ' A' ' 84' ' ' GLU . 16.2 mt -132.18 119.16 16.49 Favored Pre-proline 0 N--CA 1.49 1.531 0 C-N-CA 123.104 0.561 . . . . 64.14 110.411 -170.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.72 -5.13 15.18 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.595 2.197 . . . . 74.02 113.091 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' H ' HG22 ' A' ' 82' ' ' ILE . 17.4 mm-40 -81.1 -23.64 38.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.906 0.882 . . . . 73.13 111.22 -178.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.567 HG21 ' HB3' ' A' ' 78' ' ' LEU . 86.5 t -74.83 103.13 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 N-CA-C 109.075 -0.713 . . . . 65.12 109.075 176.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HG2' ' HA3' ' A' ' 50' ' ' GLY . 8.6 mm-40 -77.48 -27.01 51.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.783 0.833 . . . . 72.0 109.859 174.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.444 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 179.11 -171.16 43.13 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 116.004 -0.544 . . . . 65.44 113.212 176.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.583 HG22 ' HB ' ' A' ' 52' ' ' VAL . 76.8 t -131.49 136.49 57.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 125.309 1.444 . . . . 71.34 107.877 174.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -120.77 144.55 48.23 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.227 0.611 . . . . 71.43 110.06 176.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -85.51 116.59 23.9 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.292 -0.633 . . . . 71.14 109.292 175.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 9.0 m -109.03 150.52 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 107.393 -1.336 . . . . 73.43 107.393 164.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 94.9 mtp -137.43 108.2 6.64 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 122.209 -0.307 . . . . 65.32 110.929 -172.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -82.29 77.29 9.1 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 121.765 0.793 . . . . 75.11 109.061 167.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -134.4 159.41 41.16 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 114.437 -1.256 . . . . 73.24 108.641 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -72.98 -54.64 8.1 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.979 0.512 . . . . 53.41 110.0 -174.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.1 t -173.81 174.56 3.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.93 1.292 . . . . 70.3 108.765 175.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--O 1.254 1.317 0 CA-C-O 119.008 -0.52 . . . . 65.31 110.485 175.577 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.77 0.319 . . . . 73.23 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.38 99.62 0.23 Allowed Glycine 0 CA--C 1.504 -0.637 0 N-CA-C 110.328 -1.109 . . . . 62.12 110.328 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -71.3 99.55 1.96 Allowed 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 121.96 0.886 . . . . 75.13 110.968 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -85.61 -179.75 6.95 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.082 -0.963 . . . . 61.14 109.723 171.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -69.93 145.25 52.07 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.27 -1.011 . . . . 72.42 108.27 173.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -79.16 8.93 5.03 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.142 0.977 . . . . 63.14 112.977 -167.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 61.87 63.14 1.16 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.911 1.285 . . . . 74.03 111.394 169.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -140.18 81.99 1.84 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.398 0.679 . . . . 71.41 109.424 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 m -126.07 103.43 7.72 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.617 0.767 . . . . 75.0 110.028 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -156.81 143.82 18.68 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 108.342 -0.985 . . . . 74.31 108.342 174.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.8 109.2 4.29 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 110.01 -0.367 . . . . 72.55 110.01 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.5 169.39 44.38 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-N 115.983 -0.553 . . . . 75.31 112.969 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.447 ' HB2' ' HG2' ' A' ' 15' ' ' GLU . 15.4 m -72.77 147.1 45.87 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.14 0.576 . . . . 72.24 109.784 177.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -7.58 24.84 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.489 1.116 . . . . 74.34 113.284 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.447 ' HG2' ' HB2' ' A' ' 13' ' ' SER . 14.1 pt-20 -66.62 -12.99 60.55 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.046 0.939 . . . . 73.22 112.305 171.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -68.6 169.39 11.15 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 124.905 1.282 . . . . 74.53 111.683 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.94 -8.95 17.77 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.685 1.194 . . . . 75.52 112.218 178.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -47.27 -36.09 10.08 Favored Glycine 0 C--N 1.365 2.148 0 N-CA-C 115.639 1.015 . . . . 71.03 115.639 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 23' ' ' ILE . 59.9 t -59.23 -58.21 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.33 0.652 . . . . 53.13 110.066 172.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.573 HG12 ' HE3' ' A' ' 24' ' ' LYS . 64.7 t -60.63 -33.72 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.838 1.255 . . . . 61.25 110.953 -178.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.42 -44.64 67.5 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.599 1.16 . . . . 65.34 110.692 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.54 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.9 ptm -74.48 -25.04 59.13 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.612 -0.709 . . . . 74.24 110.979 178.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 19' ' ' VAL . 83.5 mt -62.39 -49.36 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 N-CA-C 109.357 -0.608 . . . . 63.42 109.357 173.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.573 ' HE3' HG12 ' A' ' 20' ' ' VAL . 79.7 mttt -49.48 -44.8 46.19 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.165 0.986 . . . . 70.4 111.389 176.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.0 -53.9 15.62 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 114.874 -1.057 . . . . 72.02 111.613 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.5 mt -56.77 -37.06 70.56 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.331 1.052 . . . . 62.01 111.205 -176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.2 mt -66.54 -57.37 7.42 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.764 -0.653 . . . . 72.12 110.584 174.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -63.87 -36.23 83.24 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.332 0.653 . . . . 75.03 112.422 -168.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.8 p -85.4 -45.44 11.87 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.958 -0.564 . . . . 62.52 111.405 -176.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -95.66 -58.28 2.15 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.581 0.352 . . . . 71.25 111.804 -173.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.4 mm -78.54 -58.41 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 118.949 -0.548 . . . . 43.31 111.616 -164.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 56.9 mtp180 -45.56 -54.52 15.11 Favored Pre-proline 0 C--N 1.367 1.369 0 CA-C-O 117.011 -1.471 . . . . 75.14 112.511 -176.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.491 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 53.0 Cg_exo -55.43 -42.29 69.57 Favored 'Trans proline' 0 C--N 1.408 3.662 0 C-N-CA 122.514 2.143 . . . . 71.42 112.493 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.5 m -61.65 -48.28 81.55 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.341 1.056 . . . . 71.21 111.621 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 31' ' ' ILE . 11.6 t -69.34 -32.99 55.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.335 0.654 . . . . 73.11 110.471 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -67.56 -30.7 70.4 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.601 0.76 . . . . 72.43 110.828 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 18.2 mm-40 -70.09 -31.94 69.76 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.501 0.32 . . . . 45.13 111.105 174.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.6 -21.84 51.75 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.471 0.709 . . . . 65.3 110.401 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.19 -16.47 15.19 Favored Glycine 0 C--N 1.344 0.987 0 CA-C-O 119.965 -0.353 . . . . 34.01 112.948 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.77 -158.28 33.73 Favored Glycine 0 C--N 1.351 1.395 0 C-N-CA 122.952 0.31 . . . . 72.42 112.83 176.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -173.16 159.34 3.85 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.311 1.044 . . . . 74.12 108.816 175.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -120.29 113.62 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 N-CA-C 108.358 -0.978 . . . . 70.25 108.358 177.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.6 mp -106.84 114.54 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 107.174 -1.417 . . . . 50.03 107.174 -179.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.453 ' OH ' HG13 ' A' ' 20' ' ' VAL . 30.2 t80 -66.12 109.13 2.48 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.007 0.523 . . . . 71.54 110.168 -174.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 11.0 mmpt? -94.47 -42.55 8.79 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.614 0.766 . . . . 72.54 110.824 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.28 -179.31 47.52 Favored Glycine 0 C--N 1.345 1.056 0 C-N-CA 121.01 -0.614 . . . . 70.52 114.11 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -160.3 122.85 3.32 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 107.208 -1.405 . . . . 74.34 107.208 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.78 138.24 32.13 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 108.926 -0.768 . . . . 75.32 108.926 173.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 62.64 -82.36 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.057 1.343 . . . . 72.44 110.611 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.63 4.65 0.79 Allowed Glycine 0 C--N 1.348 1.203 0 CA-C-O 120.191 -0.227 . . . . 30.22 113.241 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 45.9 mm -104.22 117.87 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 122.908 0.483 . . . . 73.52 109.99 -175.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.53 HG21 HD13 ' A' ' 78' ' ' LEU . 42.2 t -89.37 105.24 15.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.256 1.022 . . . . 72.13 108.667 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -86.23 116.7 24.58 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 109.857 -0.423 . . . . 74.41 109.857 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 97.4 mt -122.86 145.44 48.44 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.39 1.076 . . . . 62.23 110.289 -175.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.574 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 81.9 tttt -89.65 106.97 18.81 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.439 -0.948 . . . . 54.31 108.439 174.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.6 mt -90.42 126.71 35.98 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 107.815 -1.18 . . . . 75.41 107.815 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -92.55 173.31 7.85 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.37 0.668 . . . . 74.32 110.867 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.23 169.5 13.73 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-N 115.78 -0.646 . . . . 61.23 113.907 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 m 75.22 -49.23 0.64 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 126.234 1.814 . . . . 65.21 111.587 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.754 ' SG ' HD22 ' A' ' 70' ' ' LEU . 53.1 t -70.99 -35.09 71.95 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.858 0.463 . . . . 52.42 110.931 174.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.4 p -92.55 27.2 2.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.475 0.71 . . . . 73.24 111.661 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.0 p -65.69 -36.63 84.17 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 124.081 0.953 . . . . 70.2 111.806 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.8 p -141.41 143.89 31.81 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 123.586 0.754 . . . . 75.11 109.822 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.49 ' HA ' HD12 ' A' ' 67' ' ' ILE . 54.1 Cg_exo -54.03 -29.23 53.88 Favored 'Trans proline' 0 C--N 1.391 2.765 0 C-N-CA 123.681 2.921 . . . . 63.24 113.859 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.4 p -60.86 -49.28 78.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.488 0.715 . . . . 75.43 110.74 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -68.22 -33.07 73.74 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.241 0.616 . . . . 60.24 112.239 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 64' ' ' PRO . 69.7 mt -62.32 -51.75 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.783 0.833 . . . . 74.44 110.807 176.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.8 mt -68.14 -39.65 81.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 C-N-CA 123.801 0.841 . . . . 74.45 111.133 -178.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.8 m -65.67 -37.74 87.34 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.24 0.616 . . . . 74.24 111.104 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.754 HD22 ' SG ' ' A' ' 60' ' ' CYS . 56.1 tp -68.83 -47.17 66.69 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 109.792 -0.447 . . . . 51.11 109.792 175.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.95 -33.24 68.63 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.662 1.185 . . . . 71.43 111.474 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -82.15 -35.82 28.06 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.222 1.009 . . . . 74.12 111.204 176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.42 -49.96 66.09 Favored Glycine 0 N--CA 1.469 0.869 0 CA-C-O 121.142 0.301 . . . . 74.3 112.464 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.7 mt -62.75 -41.77 93.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 124.322 1.049 . . . . 74.31 110.158 175.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.481 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 8.6 tt0 -53.36 -58.78 5.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.451 1.1 . . . . 44.33 110.821 177.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -61.57 -34.99 76.54 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.643 0.777 . . . . 74.12 112.17 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.415 ' HE3' ' HB3' ' A' ' 77' ' ' MET . 15.3 tmm? -67.14 -50.56 60.86 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.932 0.493 . . . . 61.22 109.844 178.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.533 ' HB3' HG21 ' A' ' 85' ' ' VAL . 89.3 mt -64.53 -30.88 71.91 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.721 0.808 . . . . 73.33 111.534 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.7 mt-30 -74.6 -36.12 62.97 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.496 0.718 . . . . 54.3 111.02 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -58.43 -41.79 85.81 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.868 0.867 . . . . 53.11 110.292 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -88.49 -35.36 17.05 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.61 -0.723 . . . . 70.22 111.779 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.54 HD11 ' HG3' ' A' ' 22' ' ' MET . 26.3 mt -130.38 109.76 16.33 Favored Pre-proline 0 N--CA 1.486 1.368 0 C-N-CA 123.77 0.828 . . . . 61.33 109.923 -168.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.02 -3.14 13.12 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 122.664 2.243 . . . . 72.31 113.309 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.406 ' H ' HG22 ' A' ' 82' ' ' ILE . 10.7 mm-40 -79.34 -26.05 42.18 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.572 0.749 . . . . 72.23 111.049 -179.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.533 HG21 ' HB3' ' A' ' 78' ' ' LEU . 95.9 t -74.85 109.78 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.146 0.578 . . . . 61.34 109.543 176.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -84.76 -27.81 26.64 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.397 0.679 . . . . 74.22 110.564 171.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.481 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -175.77 -177.01 44.48 Favored Glycine 0 C--N 1.344 0.985 0 CA-C-N 116.222 -0.445 . . . . 61.2 113.405 -177.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.484 HG22 ' HB ' ' A' ' 52' ' ' VAL . 62.2 t -128.18 153.3 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 C-N-CA 125.944 1.698 . . . . 53.51 107.392 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -142.83 143.02 31.96 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.426 0.69 . . . . 71.42 109.302 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -85.18 132.89 34.22 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.07 0.462 . . . . 64.12 110.597 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 3.8 m -135.46 161.91 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.425 1.49 . . . . 41.3 108.284 171.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.1 ptp -145.73 108.45 4.5 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.427 0.691 . . . . 74.32 110.587 175.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.42 ' HA ' ' HB2' ' A' ' 97' ' ' ASP . 16.3 p-10 -71.72 81.94 0.87 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 122.346 1.07 . . . . 75.33 108.184 169.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -160.21 -73.88 0.07 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.85 -1.068 . . . . 71.32 109.541 -166.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -123.22 19.8 9.83 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 122.97 0.508 . . . . 72.32 111.829 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.2 t -162.63 -65.68 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.724 0.409 . . . . 73.32 110.865 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 93' ' ' ASP . 38.9 t70 . . . . . 0 CA--C 1.559 1.312 0 C-N-CA 124.786 1.234 . . . . 72.24 109.692 -171.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.304 -0.628 . . . . 62.21 109.304 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.29 80.35 0.98 Allowed Glycine 0 C--N 1.341 0.839 0 N-CA-C 110.855 -0.898 . . . . 51.11 110.855 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -61.22 130.35 45.79 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.981 0.512 . . . . 71.15 110.311 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -75.68 83.11 2.67 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 123.177 0.591 . . . . 62.12 109.513 -175.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -155.97 10.23 0.27 Allowed 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.417 -0.811 . . . . 75.35 110.63 178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -75.19 -56.06 5.1 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.963 -1.125 . . . . 62.52 107.963 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -169.8 144.32 2.8 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.893 0.746 . . . . 74.25 109.728 171.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -74.32 131.73 41.42 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 108.82 -0.807 . . . . 73.45 108.82 168.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 p -60.27 -33.06 71.79 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.478 0.711 . . . . 60.4 110.62 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -131.46 122.22 25.86 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 107.209 -1.404 . . . . 70.21 107.209 173.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.4 mtm -71.52 88.85 0.94 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.37 0.668 . . . . 61.12 111.327 -175.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.83 -105.24 0.74 Allowed Glycine 0 N--CA 1.466 0.671 0 N-CA-C 110.373 -1.091 . . . . 41.22 110.373 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t 75.86 -50.59 0.62 Allowed 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.392 1.477 . . . . 65.22 112.177 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.45 2.48 1.72 Allowed 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.551 1.14 . . . . 41.13 113.042 174.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.42 -166.61 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 124.744 1.217 . . . . 74.43 111.397 172.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 64.44 28.25 13.54 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 123.765 0.826 . . . . 73.51 109.448 -168.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -74.85 -13.65 60.59 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.848 1.259 . . . . 75.32 111.217 -176.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.8 -38.83 96.07 Favored Glycine 0 C--N 1.349 1.257 0 N-CA-C 111.164 -0.775 . . . . 32.44 111.164 169.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.0 -48.59 87.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 123.455 0.702 . . . . 61.41 109.93 172.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.43 HG13 ' OH ' ' A' ' 44' ' ' TYR . 55.0 t -55.97 -43.58 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.78 0.832 . . . . 73.11 111.565 178.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.94 -42.6 80.72 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.452 0.701 . . . . 72.11 111.874 -177.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.458 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.7 ptm -75.53 -23.04 56.6 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 116.619 -0.264 . . . . 62.32 110.922 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.9 -46.1 89.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 N-CA-C 108.635 -0.876 . . . . 62.1 108.635 169.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -56.92 -42.6 80.28 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.601 0.76 . . . . 64.22 111.729 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 22' ' ' MET . 7.5 pt-20 -69.11 -46.0 68.79 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 109.457 -0.571 . . . . 62.22 109.457 -178.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.43 -31.91 73.21 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 123.189 0.596 . . . . 72.3 111.507 -177.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.6 mt -70.44 -56.52 6.42 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 116.002 -0.545 . . . . 65.43 109.624 173.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -66.58 -36.21 82.08 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.892 0.477 . . . . 75.33 111.636 -168.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.8 p -83.13 -39.64 20.82 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.098 0.559 . . . . 60.53 111.544 -175.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -105.3 -58.13 1.94 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.833 0.453 . . . . 70.22 111.371 -172.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 35' ' ' VAL . 47.9 mm -75.57 -59.95 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 115.864 -0.607 . . . . 62.11 110.666 -164.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.458 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 69.6 mtp180 -46.78 -52.71 30.27 Favored Pre-proline 0 N--CA 1.487 1.376 0 CA-C-O 117.403 -1.284 . . . . 75.51 112.479 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 64.0 Cg_exo -53.96 -43.75 55.39 Favored 'Trans proline' 0 C--N 1.394 2.967 0 C-N-CA 122.58 2.186 . . . . 74.51 113.201 177.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -60.74 -45.55 93.85 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.671 0.788 . . . . 55.0 111.214 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 31' ' ' ILE . 22.0 t -72.86 -29.64 30.15 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 C-N-CA 123.311 0.644 . . . . 75.11 111.042 -178.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 76.2 mt-30 -71.69 -38.01 70.64 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.269 0.628 . . . . 64.21 110.513 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.07 -42.2 97.08 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.356 0.662 . . . . 74.5 109.86 170.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.1 -22.11 66.9 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.444 1.098 . . . . 74.32 111.505 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.35 -30.88 3.23 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-O 119.907 -0.385 . . . . 54.25 112.815 171.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -105.35 -137.92 9.17 Favored Glycine 0 C--N 1.342 0.885 0 CA-C-N 116.821 0.311 . . . . 35.44 113.291 -175.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -174.01 159.05 3.24 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 124.631 1.172 . . . . 75.51 108.525 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.8 m -120.75 124.5 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.513 -0.921 . . . . 34.32 108.513 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.3 mp -114.18 122.75 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 108.173 -1.047 . . . . 75.1 108.173 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.43 ' OH ' HG13 ' A' ' 20' ' ' VAL . 85.3 t80 -67.97 113.45 5.68 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.362 0.665 . . . . 74.2 109.91 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 11.4 mmpt? -94.28 -41.66 9.34 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.223 0.609 . . . . 65.24 110.582 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.08 -178.45 48.28 Favored Glycine 0 C--N 1.351 1.388 0 C-N-CA 120.805 -0.712 . . . . 41.53 114.353 -179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -156.11 112.66 3.12 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.38 -1.341 . . . . 71.52 107.38 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -129.33 142.65 50.77 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 107.82 -1.178 . . . . 70.35 107.82 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 62.08 -84.93 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.47 1.108 . . . . 60.51 109.665 -177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.58 9.9 0.41 Allowed Glycine 0 C--N 1.338 0.694 0 C-N-CA 123.736 0.684 . . . . 75.13 112.061 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.4 mm -99.49 117.23 44.32 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 C-N-CA 123.403 0.681 . . . . 75.21 109.448 -177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.532 ' HB ' HG22 ' A' ' 88' ' ' VAL . 21.5 t -85.88 108.37 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 108.478 -0.934 . . . . 64.14 108.478 176.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -84.77 114.74 22.28 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.522 -0.547 . . . . 65.0 109.522 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.54 135.28 53.04 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.3 1.04 . . . . 75.31 110.306 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -88.64 131.82 34.82 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.813 0.845 . . . . 64.51 108.834 173.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.401 ' HG ' ' HG3' ' A' ' 90' ' ' GLN . 41.4 mt -101.21 141.43 34.11 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.695 -0.483 . . . . 65.12 109.695 175.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -97.05 174.9 6.52 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.802 0.841 . . . . 71.24 110.275 176.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.24 159.97 7.81 Favored Glycine 0 C--N 1.361 1.921 0 O-C-N 124.199 0.937 . . . . 45.34 113.832 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.3 m 76.39 -57.1 0.56 Allowed 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 125.705 1.602 . . . . 51.51 110.286 -169.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.5 m -68.83 -38.62 79.98 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.692 0.797 . . . . 75.13 111.859 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.455 ' HA ' HG12 ' A' ' 67' ' ' ILE . 8.3 t -95.69 4.26 53.17 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.208 0.603 . . . . 50.01 111.39 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -76.82 -46.44 24.88 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 122.93 0.492 . . . . 54.04 111.514 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.6 p -112.74 128.51 25.48 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 123.934 0.894 . . . . 74.23 109.862 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -54.38 -25.59 40.21 Favored 'Trans proline' 0 C--N 1.384 2.437 0 C-N-CA 123.797 2.998 . . . . 74.44 114.385 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.7 t -58.16 -48.23 80.93 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 123.823 0.849 . . . . 75.13 110.434 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -72.83 -37.02 67.59 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.31 -0.859 . . . . 74.01 111.287 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.455 HG12 ' HA ' ' A' ' 61' ' ' THR . 66.9 mt -57.6 -55.25 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 123.86 0.864 . . . . 74.43 111.726 -178.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.7 mt -67.71 -49.13 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 115.436 -0.802 . . . . 51.12 110.739 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.1 m -66.36 -35.8 81.28 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.15 0.58 . . . . 63.51 112.182 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 74' ' ' ILE . 40.5 tp -65.58 -53.93 34.97 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 109.384 -0.598 . . . . 65.54 109.384 176.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -55.01 -40.25 69.95 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 124.22 0.95 . . . . 65.33 111.791 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -71.01 -42.64 69.33 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.336 0.655 . . . . 74.12 111.147 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -59.85 -45.3 96.03 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 112.34 -0.304 . . . . 72.43 112.34 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 70' ' ' LEU . 64.1 mt -60.77 -44.52 97.57 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 C-N-CA 124.23 1.012 . . . . 75.23 109.831 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -57.67 -54.4 47.32 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 124.414 1.071 . . . . 72.24 111.009 -177.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -64.22 -33.4 75.71 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.438 0.461 . . . . 73.43 111.73 -177.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -67.92 -45.81 73.31 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 120.886 0.374 . . . . 63.05 110.529 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.565 ' HB3' HG21 ' A' ' 85' ' ' VAL . 81.8 mt -67.12 -29.06 68.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.386 0.674 . . . . 72.21 111.437 177.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.7 mt-30 -81.59 -23.8 36.88 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.589 0.756 . . . . 65.05 111.625 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -62.28 -39.57 93.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.01 0.924 . . . . 74.22 109.91 174.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -91.73 -43.85 9.33 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.994 -1.003 . . . . 73.33 111.903 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.458 HD11 ' HG3' ' A' ' 22' ' ' MET . 33.2 mt -125.18 108.45 27.39 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 123.542 0.737 . . . . 71.11 109.953 -167.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.79 -12.73 35.3 Favored 'Trans proline' 0 C--N 1.369 1.61 0 C-N-CA 122.65 2.234 . . . . 72.24 112.682 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -70.05 -26.25 63.94 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.484 0.714 . . . . 62.05 110.815 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 78' ' ' LEU . 91.8 t -71.1 101.34 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 N-CA-C 108.388 -0.968 . . . . 74.52 108.388 173.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -85.0 -26.33 27.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.019 -0.991 . . . . 73.32 110.324 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.11 178.88 46.69 Favored Glycine 0 C--N 1.343 0.948 0 CA-C-N 115.711 -0.677 . . . . 62.22 112.263 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 52' ' ' VAL . 74.1 t -131.91 146.65 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 124.739 1.216 . . . . 72.41 108.058 174.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -127.26 143.2 51.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.164 0.586 . . . . 64.31 110.062 179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.401 ' HG3' ' HG ' ' A' ' 56' ' ' LEU . 45.3 tt0 -84.26 117.18 23.38 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 108.04 -1.096 . . . . 71.41 108.04 170.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.6 m -117.6 112.33 38.32 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-O 121.624 0.726 . . . . 64.12 109.972 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 64.5 mtm -78.03 85.78 4.23 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 108.242 -1.021 . . . . 71.23 108.242 173.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -106.8 108.13 19.49 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 107.82 -1.178 . . . . 73.32 107.82 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.4 t70 66.61 79.74 0.23 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.341 1.057 . . . . 64.23 110.296 -171.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -79.98 -36.62 35.77 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.52 -0.764 . . . . 64.41 109.696 173.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.0 t -172.57 41.76 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 106.925 -1.509 . . . . 73.2 106.925 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 . . . . . 0 N--CA 1.482 1.173 0 C-N-CA 124.379 1.072 . . . . 74.14 109.073 -167.532 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtm . . . . . 0 N--CA 1.483 1.175 0 N-CA-C 109.452 -0.573 . . . . 73.54 109.452 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.5 -125.09 22.94 Favored Glycine 0 C--N 1.346 1.133 0 CA-C-O 119.651 -0.527 . . . . 71.24 113.134 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.7 m80 60.92 23.81 13.87 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 124.389 1.075 . . . . 74.24 111.317 -175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -140.16 84.91 1.99 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 107.68 -1.23 . . . . 74.4 107.68 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -168.9 164.61 11.68 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.262 1.025 . . . . 75.52 109.084 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -82.43 106.26 14.16 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 122.377 0.271 . . . . 75.1 110.419 176.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -64.96 104.67 0.89 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 106.255 -1.757 . . . . 74.42 106.255 161.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -66.72 85.29 0.11 Allowed 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 122.187 0.994 . . . . 74.43 112.219 -168.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -96.3 -172.36 2.51 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.318 1.047 . . . . 72.44 110.509 -175.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -166.4 114.05 0.88 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.367 -0.975 . . . . 71.21 108.367 -178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 38.9 ttp -93.74 44.92 1.14 Allowed 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 121.614 0.721 . . . . 74.1 110.259 -173.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -78.77 68.23 3.06 Favored Glycine 0 C--N 1.357 1.698 0 CA-C-N 115.551 -0.749 . . . . 70.11 111.765 177.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.6 p -159.54 -52.82 0.06 Allowed 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.417 1.087 . . . . 74.14 108.074 -169.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -137.36 120.42 16.62 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.781 -1.1 . . . . 74.34 108.559 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -140.18 57.87 1.59 Allowed 'General case' 0 C--O 1.243 0.713 0 N-CA-C 107.46 -1.311 . . . . 63.01 107.46 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -96.45 146.07 25.1 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 114.14 -1.391 . . . . 70.34 110.137 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -84.45 7.39 19.91 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.533 0.733 . . . . 62.31 111.515 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.96 -56.18 6.65 Favored Glycine 0 C--N 1.354 1.552 0 N-CA-C 112.094 -0.403 . . . . 64.3 112.094 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.93 -44.26 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.593 0.757 . . . . 72.43 110.43 174.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.422 HG12 ' HE3' ' A' ' 24' ' ' LYS . 73.7 t -60.78 -43.17 94.74 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 123.85 0.86 . . . . 71.23 111.481 -178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.58 87.73 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.128 0.571 . . . . 54.21 111.721 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.0 ptm -76.25 -26.19 55.73 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 111.636 0.235 . . . . 62.4 111.636 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.411 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 85.0 mt -65.76 -49.43 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.578 -0.897 . . . . 72.31 108.578 169.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HE3' HG12 ' A' ' 20' ' ' VAL . 98.3 mttt -54.08 -42.13 68.97 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.068 0.947 . . . . 72.13 112.008 179.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -73.36 -41.85 62.92 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-O 119.005 -0.521 . . . . 50.41 110.385 -177.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.66 -32.8 73.93 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 122.962 0.505 . . . . 71.42 111.471 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 77.7 mt -68.88 -54.53 15.11 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.878 -0.601 . . . . 64.33 109.526 172.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -63.51 -29.29 70.58 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.556 1.142 . . . . 74.04 112.793 -171.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.5 p -90.44 -46.7 8.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.288 0.635 . . . . 53.53 111.674 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 26.1 mtp180 -98.93 -56.09 2.53 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.766 0.426 . . . . 65.42 111.28 -173.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -76.19 -61.77 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 118.962 -0.542 . . . . 73.43 110.983 -164.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -49.17 -49.62 68.62 Favored Pre-proline 0 CA--C 1.557 1.248 0 CA-C-O 117.399 -1.286 . . . . 75.33 113.342 -176.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.442 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 66.1 Cg_exo -54.02 -46.82 30.74 Favored 'Trans proline' 0 C--N 1.399 3.203 0 C-N-CA 122.128 1.886 . . . . 63.31 112.592 176.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.8 m -64.22 -43.38 95.15 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.074 0.95 . . . . 45.13 111.75 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.55 HG13 ' SG ' ' A' ' 60' ' ' CYS . 61.6 t -74.52 -32.03 29.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 C-N-CA 123.922 0.889 . . . . 65.41 111.233 -176.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.0 -22.68 52.73 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.157 0.583 . . . . 64.24 111.148 176.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 26.4 mm-40 -78.34 -31.07 48.48 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.371 -0.603 . . . . 72.33 109.371 169.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -72.42 -24.15 61.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.378 0.671 . . . . 71.33 110.454 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.41 -19.75 6.67 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 116.424 -0.353 . . . . 41.11 113.394 174.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.23 -145.92 16.08 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-O 120.129 -0.262 . . . . 64.31 113.289 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -172.39 162.01 5.3 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.905 1.282 . . . . 72.23 108.726 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.9 m -120.76 122.04 66.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 N-CA-C 108.076 -1.083 . . . . 75.01 108.076 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.476 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.7 mp -106.51 123.32 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 107.339 -1.356 . . . . 62.11 107.339 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -67.62 119.88 13.1 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 109.561 -0.533 . . . . 75.2 109.561 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.626 ' HD2' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -109.21 -43.57 4.12 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.543 0.737 . . . . 64.55 111.486 -174.526 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.89 178.93 41.48 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 114.277 0.471 . . . . 62.41 114.277 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -157.78 112.96 2.72 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.868 1.267 . . . . 73.12 107.978 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -126.63 104.48 8.13 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.89 -0.411 . . . . 63.24 109.89 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 65.04 10.27 6.16 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 124.434 1.093 . . . . 72.21 112.875 172.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.79 -17.03 6.44 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-O 120.105 -0.275 . . . . 71.03 113.627 -176.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.8 mm -86.92 101.54 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 N-CA-C 109.325 -0.62 . . . . 73.51 109.325 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.491 HG21 HD13 ' A' ' 78' ' ' LEU . 50.5 t -78.71 116.23 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 124.242 1.017 . . . . 72.13 108.45 177.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -105.2 120.11 40.71 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.793 -0.447 . . . . 74.2 109.793 -174.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.4 mt -126.81 143.76 51.16 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.817 1.247 . . . . 74.14 109.889 -173.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.626 ' HB2' ' HD2' ' A' ' 45' ' ' LYS . 87.7 tttt -87.22 105.78 17.45 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.984 -1.117 . . . . 73.31 107.984 173.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 46.6 mt -86.75 126.42 34.58 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.71 -1.218 . . . . 75.22 107.71 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -94.39 168.07 11.12 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.316 0.646 . . . . 44.23 111.161 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.54 161.75 9.1 Favored Glycine 0 C--N 1.36 1.881 0 O-C-N 124.192 0.932 . . . . 64.22 113.969 -178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.6 t 78.16 -41.74 0.33 Allowed 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 125.895 1.678 . . . . 65.51 111.385 -172.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.55 ' SG ' HG13 ' A' ' 35' ' ' VAL . 58.2 m -85.47 -13.25 49.74 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.506 0.722 . . . . 71.35 111.561 176.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.8 p -107.16 24.57 12.61 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.275 1.03 . . . . 54.13 111.86 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m -67.29 92.38 0.28 Allowed 'General case' 0 CA--C 1.546 0.825 0 O-C-N 123.466 0.479 . . . . 74.45 110.32 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 59.6 m 74.69 152.61 0.14 Allowed Pre-proline 0 N--CA 1.487 1.409 0 C-N-CA 125.266 1.426 . . . . 72.24 111.074 -178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -53.14 -26.05 31.71 Favored 'Trans proline' 0 C--N 1.394 2.948 0 C-N-CA 123.381 2.721 . . . . 75.5 114.35 -177.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.8 t -58.47 -57.42 13.02 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.275 0.63 . . . . 64.45 110.677 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -62.19 -35.71 79.68 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.328 0.651 . . . . 71.03 112.132 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.22 -54.51 33.92 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.904 0 C-N-CA 123.941 0.896 . . . . 71.43 111.111 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 85.6 mt -69.19 -37.12 75.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 123.736 0.814 . . . . 74.3 111.219 -175.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.1 m -66.67 -42.6 86.3 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.387 0.675 . . . . 73.32 111.03 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 tp -64.32 -46.78 82.04 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.775 0.672 . . . . 55.22 109.646 175.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.43 -40.3 78.1 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.382 1.473 . . . . 53.33 111.052 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -76.65 -33.98 58.29 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.681 0.792 . . . . 54.14 111.71 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -62.04 -45.5 95.97 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.521 -0.632 . . . . 45.43 111.521 174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.81 -39.26 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 C-N-CA 124.245 1.018 . . . . 73.21 110.0 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.537 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 33.0 tt0 -56.64 -61.5 2.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.375 1.07 . . . . 73.14 111.122 179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -66.94 -30.13 70.18 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 123.522 0.514 . . . . 64.25 111.727 -175.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.436 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 35.1 ttp -64.04 -51.98 61.6 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 110.055 -0.35 . . . . 72.44 110.055 176.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.524 ' HB3' HG21 ' A' ' 85' ' ' VAL . 96.4 mt -65.3 -39.03 91.97 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 123.341 0.657 . . . . 75.02 111.233 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -67.51 -30.86 70.64 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.454 0.701 . . . . 65.22 111.947 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.25 -46.11 90.3 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.657 0.783 . . . . 61.15 110.229 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -87.75 -34.67 18.26 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.05 0.54 . . . . 61.31 111.607 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.0 mt -123.13 107.68 32.7 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.7 1.2 . . . . 73.32 108.843 -168.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.66 -4.03 14.78 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 122.389 2.06 . . . . 65.23 112.455 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -78.36 -27.62 46.98 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.669 0.788 . . . . 61.23 111.278 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 78' ' ' LEU . 99.4 t -73.11 117.51 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 C-N-CA 123.287 0.635 . . . . 74.55 110.692 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -83.89 -35.09 24.37 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.926 1.29 . . . . 72.55 110.285 173.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.537 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . 178.7 -167.46 37.87 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-N 115.562 -0.745 . . . . 74.45 112.106 -178.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.414 HG22 ' HB ' ' A' ' 52' ' ' VAL . 87.5 t -131.19 161.28 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.042 0 N-CA-C 107.849 -1.167 . . . . 72.22 107.849 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.28 145.84 31.42 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.36 0.664 . . . . 72.53 109.39 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -84.02 119.26 24.72 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 108.46 -0.941 . . . . 53.53 108.46 170.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.46 HG23 ' HG3' ' A' ' 45' ' ' LYS . 5.2 m -125.14 108.47 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 108.647 -0.872 . . . . 64.22 108.647 170.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 81.2 mtp -85.97 97.12 10.07 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.997 -0.742 . . . . 60.03 108.997 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -87.82 66.95 8.97 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 122.748 1.261 . . . . 63.04 108.95 170.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -99.44 -53.29 3.25 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.426 -1.715 . . . . 61.12 107.39 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -110.85 -23.89 10.74 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 114.191 -1.368 . . . . 64.15 109.192 164.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.2 t 65.1 21.3 12.18 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.142 0.977 . . . . 61.0 111.972 176.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 CA--C 1.554 1.122 0 C-N-CA 123.929 0.892 . . . . 62.4 110.228 -177.082 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 110.234 -0.284 . . . . 73.13 110.234 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -59.87 -37.94 93.31 Favored Glycine 0 C--N 1.352 1.429 0 O-C-N 123.835 0.71 . . . . 75.21 112.677 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -63.58 124.13 20.59 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.317 0.647 . . . . 62.31 109.444 174.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -82.82 160.97 22.11 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.459 0.704 . . . . 74.51 110.063 176.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -137.12 145.82 44.3 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.299 0.64 . . . . 74.22 109.855 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -114.67 160.66 19.09 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.787 0.835 . . . . 74.11 109.947 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -163.98 163.34 23.48 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.45 0.7 . . . . 74.55 110.03 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -88.65 139.72 30.18 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.13 0.572 . . . . 71.32 109.58 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 p -80.7 121.79 26.32 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.632 0.773 . . . . 50.11 111.017 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -80.59 81.98 6.72 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.78 0.832 . . . . 62.4 110.235 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.0 mmt -91.82 95.98 10.15 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.423 -0.808 . . . . 74.1 109.961 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.12 148.59 5.77 Favored Glycine 0 C--N 1.35 1.336 0 C-N-CA 121.332 -0.461 . . . . 51.5 113.845 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.2 p -172.96 51.33 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.802 1.241 . . . . 71.02 108.927 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -75.89 -77.9 0.12 Allowed 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 114.557 -1.201 . . . . 74.43 113.171 -169.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -131.62 12.61 4.91 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.349 0.659 . . . . 61.12 111.298 -170.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.26 -178.87 6.8 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.988 0.915 . . . . 62.34 110.636 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -72.11 -4.26 27.95 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.149 0.58 . . . . 72.11 111.106 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.23 -34.22 88.48 Favored Glycine 0 C--N 1.352 1.441 0 O-C-N 123.372 0.42 . . . . 61.31 112.882 171.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 23' ' ' ILE . 95.3 t -60.29 -51.08 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.181 0.592 . . . . 72.13 109.625 171.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.514 HG12 ' HE3' ' A' ' 24' ' ' LYS . 90.3 t -58.6 -40.81 80.23 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.048 0 C-N-CA 124.394 1.078 . . . . 61.13 110.852 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.01 -41.04 82.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.872 0.869 . . . . 62.41 111.593 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.581 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.6 ptm -79.19 -22.65 44.63 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 119.357 -0.354 . . . . 61.13 111.41 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 19' ' ' VAL . 89.2 mt -67.81 -41.06 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 108.999 -0.741 . . . . 72.34 108.999 170.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.514 ' HE3' HG12 ' A' ' 20' ' ' VAL . 99.5 mttt -52.5 -44.0 65.4 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.387 0.675 . . . . 55.55 111.679 177.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.54 -38.72 54.62 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 119.046 -0.502 . . . . 64.31 110.178 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.34 -28.85 70.29 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-N 118.401 0.546 . . . . 74.21 111.502 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.03 -55.59 6.3 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 109.06 -0.719 . . . . 75.14 109.06 171.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.84 -32.02 73.52 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.353 0.661 . . . . 64.44 112.31 -168.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -86.87 -38.22 16.96 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.385 0.674 . . . . 54.32 111.338 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.456 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 22.9 mtp-105 -108.42 -58.46 1.99 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 111.847 0.314 . . . . 75.25 111.847 -173.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 35' ' ' VAL . 47.8 mm -76.69 -58.3 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.117 0.567 . . . . 62.31 111.751 -166.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -48.59 -50.49 58.88 Favored Pre-proline 0 CA--C 1.56 1.353 0 CA-C-O 117.481 -1.247 . . . . 74.31 112.842 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.72 -37.87 84.41 Favored 'Trans proline' 0 C--N 1.398 3.153 0 C-N-CA 122.216 1.944 . . . . 51.31 113.181 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.9 m -69.47 -49.46 54.65 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.76 0.824 . . . . 72.24 111.421 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' ILE . 14.6 t -71.35 -31.14 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 123.134 0.574 . . . . 61.41 110.809 -174.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -69.02 -27.83 66.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.307 0.643 . . . . 61.12 111.21 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -72.27 -36.24 68.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.47 0.308 . . . . 63.32 110.173 170.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.04 -19.88 60.48 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.248 0.619 . . . . 71.42 111.303 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.62 3.96 28.54 Favored Glycine 0 C--N 1.344 1.012 0 CA-C-O 119.832 -0.427 . . . . 70.04 113.259 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.92 -152.43 9.19 Favored Glycine 0 N--CA 1.472 1.092 0 C-N-CA 123.364 0.507 . . . . 44.1 112.314 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.411 ' N ' ' HB2' ' A' ' 57' ' ' GLN . 26.5 t70 -172.69 163.21 5.16 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.478 1.111 . . . . 64.22 108.744 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.7 m -122.26 119.22 57.79 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.052 0 CA-C-O 121.347 0.594 . . . . 72.5 109.47 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.57 128.92 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 107.764 -1.198 . . . . 65.54 107.764 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.22 123.44 27.42 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 109.302 -0.629 . . . . 71.41 109.302 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -104.43 -47.79 4.01 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.964 0.906 . . . . 73.2 111.729 -178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.97 -179.9 47.59 Favored Glycine 0 N--CA 1.477 1.372 0 C-N-CA 120.618 -0.801 . . . . 43.02 114.144 -176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -151.41 117.9 5.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.965 0.906 . . . . 64.51 109.019 -175.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -143.67 142.22 30.9 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.113 0.565 . . . . 72.23 109.821 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 63.74 -77.99 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 125.34 1.456 . . . . 75.11 110.606 -171.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.88 13.24 0.16 Allowed Glycine 0 C--N 1.338 0.641 0 N-CA-C 111.147 -0.781 . . . . 61.32 111.147 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 41.9 mm -103.65 119.93 52.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 123.179 0.592 . . . . 65.21 109.752 -172.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.479 HG21 HD13 ' A' ' 78' ' ' LEU . 28.1 t -86.86 101.51 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 108.753 -0.832 . . . . 72.43 108.753 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -79.93 114.13 18.61 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.101 0.56 . . . . 72.23 110.013 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -123.31 135.57 54.27 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.836 1.254 . . . . 72.33 109.974 -176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 85.8 tttt -88.74 110.16 20.76 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.527 -0.545 . . . . 75.11 109.527 173.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.449 HD12 HG23 ' A' ' 67' ' ' ILE . 42.1 mt -85.19 140.6 30.78 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 108.533 -0.914 . . . . 74.41 108.533 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.411 ' HB2' ' N ' ' A' ' 41' ' ' ASP . 78.8 mm-40 -96.05 175.88 6.31 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 123.472 0.709 . . . . 70.33 110.889 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.79 171.59 0.8 Allowed Glycine 0 C--N 1.357 1.697 0 O-C-N 124.144 0.902 . . . . 72.4 115.342 -175.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m 74.11 -61.97 0.48 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.528 1.531 . . . . 42.1 110.229 -171.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.4 m -62.49 -42.93 99.83 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.614 0.766 . . . . 71.24 111.035 176.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.404 HG22 ' NE2' ' A' ' 90' ' ' GLN . 71.4 p -77.39 -18.75 57.04 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.532 0.733 . . . . 71.12 112.382 -178.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m -73.58 -11.36 60.41 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.44 0.696 . . . . 75.05 111.385 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 66' ' ' SER . 1.6 p -132.86 106.79 12.68 Favored Pre-proline 0 CA--C 1.563 1.457 0 C-N-CA 124.517 1.127 . . . . 73.21 109.126 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.428 ' HA ' HD12 ' A' ' 67' ' ' ILE . 51.7 Cg_exo -55.91 -38.57 94.41 Favored 'Trans proline' 0 C--N 1.388 2.612 0 C-N-CA 123.969 3.113 . . . . 54.13 115.363 -171.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.5 m -70.48 -33.89 71.76 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 117.705 0.23 . . . . 60.35 110.741 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.443 ' HB3' ' SG ' ' A' ' 63' ' ' CYS . 19.5 t -68.5 -31.6 70.99 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.071 0.548 . . . . 54.13 110.839 179.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.449 HG23 HD12 ' A' ' 56' ' ' LEU . 78.3 mt -57.23 -53.11 47.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.947 0 C-N-CA 123.755 0.822 . . . . 62.41 110.072 171.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.03 -46.92 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-N 114.698 -1.137 . . . . 74.52 110.563 -175.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.5 m -65.05 -40.63 95.04 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.806 0.843 . . . . 74.45 111.503 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.71 -50.61 70.45 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.127 0.571 . . . . 74.4 109.897 176.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -38.89 72.2 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.155 1.382 . . . . 73.44 111.292 178.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -68.23 -39.9 82.17 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.792 0.837 . . . . 71.31 111.419 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.75 -46.03 92.94 Favored Glycine 0 C--N 1.346 1.086 0 O-C-N 123.431 0.457 . . . . 42.11 112.27 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 67.3 mt -61.44 -42.92 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 124.069 0.947 . . . . 60.03 109.885 176.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.89 -55.86 28.02 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.957 -1.02 . . . . 71.35 111.272 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -61.64 -32.14 72.28 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.713 0.805 . . . . 74.45 111.349 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.456 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 45.6 ttp -62.64 -54.85 33.26 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.068 0.547 . . . . 74.11 110.158 171.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.534 ' HB3' HG21 ' A' ' 85' ' ' VAL . 83.6 mt -66.46 -27.55 67.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.044 0.937 . . . . 73.42 112.321 -175.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 97.7 mt-30 -81.32 -26.6 35.51 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.197 0.599 . . . . 65.14 111.216 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -67.96 -39.51 83.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 122.905 0.482 . . . . 74.43 109.936 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -86.82 -65.7 0.99 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 115.974 -0.557 . . . . 75.13 110.471 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.581 HD11 ' HG3' ' A' ' 22' ' ' MET . 46.3 mt -97.85 118.02 64.46 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 124.45 1.1 . . . . 62.23 110.873 -173.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 82' ' ' ILE . 7.6 Cg_exo -73.67 -14.5 24.54 Favored 'Trans proline' 0 C--N 1.369 1.636 0 C-N-CA 123.074 2.516 . . . . 65.52 113.221 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.41 -27.66 64.45 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.218 0.607 . . . . 61.54 110.953 -176.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 78' ' ' LEU . 57.5 t -72.12 99.53 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 123.587 0.755 . . . . 73.0 110.482 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.96 -28.34 57.87 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 123.741 0.816 . . . . 63.23 110.64 170.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -175.2 -176.39 43.44 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 116.328 -0.396 . . . . 71.3 113.058 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.462 HG22 ' HB ' ' A' ' 52' ' ' VAL . 63.1 t -129.28 148.85 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.958 1.303 . . . . 64.2 107.981 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -130.15 142.5 50.58 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.18 0.592 . . . . 73.42 109.826 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.404 ' NE2' HG22 ' A' ' 61' ' ' THR . 42.6 tt0 -85.8 116.31 23.97 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.525 -0.917 . . . . 51.04 108.525 169.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 13.3 m -117.81 141.97 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 108.5 -0.926 . . . . 72.43 108.5 171.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 17.1 ptm -141.16 96.92 3.07 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.465 0.65 . . . . 44.45 110.462 179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -73.68 95.59 2.37 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 108.514 -0.921 . . . . 70.54 108.514 171.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -76.37 91.93 3.32 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 122.063 0.935 . . . . 64.44 109.36 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -65.29 -25.66 67.73 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.985 1.314 . . . . 75.23 112.224 -172.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.3 t -142.56 28.11 1.65 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.206 1.002 . . . . 75.12 109.038 -176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 N--CA 1.486 1.349 0 C-N-CA 124.444 1.097 . . . . 74.12 110.724 -173.838 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.7 mtp . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.664 -0.495 . . . . 71.12 109.664 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.66 99.77 0.22 Allowed Glycine 0 C--N 1.345 1.054 0 O-C-N 123.607 0.567 . . . . 75.35 111.996 -175.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -69.95 -22.82 63.14 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.166 0.586 . . . . 71.44 110.148 175.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -127.1 121.82 32.55 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.483 1.113 . . . . 72.43 109.5 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -129.75 108.22 10.01 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 107.937 -1.135 . . . . 73.44 107.937 172.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -99.68 144.04 29.22 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.004 0.522 . . . . 75.32 110.184 -173.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 63.4 86.36 0.12 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.948 1.299 . . . . 64.11 110.522 -177.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -85.68 94.01 8.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.853 -0.612 . . . . 64.33 109.615 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.9 t -67.13 110.66 3.53 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.733 0.813 . . . . 62.22 109.91 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -118.32 113.13 20.97 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.625 0.77 . . . . 61.14 109.919 179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.5 tpt -139.38 124.44 18.82 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.424 0.69 . . . . 74.23 109.207 174.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.73 -37.34 0.02 OUTLIER Glycine 0 C--N 1.337 0.592 0 N-CA-C 110.65 -0.98 . . . . 71.11 110.65 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.9 t -95.0 125.46 39.68 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 108.143 -1.058 . . . . 70.04 108.143 167.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -66.0 117.19 7.99 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.397 0.617 . . . . 74.42 110.386 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -75.46 163.76 27.08 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.512 -0.767 . . . . 64.45 111.06 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.86 -34.32 77.68 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.849 -0.614 . . . . 70.32 110.863 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 19.7 t70 -72.57 -10.83 60.27 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 115.564 -0.744 . . . . 72.0 110.739 176.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.11 -43.98 96.42 Favored Glycine 0 C--N 1.349 1.285 0 N-CA-C 111.59 -0.604 . . . . 64.53 111.59 170.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 23' ' ' ILE . 76.3 t -60.5 -50.73 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.819 0.847 . . . . 71.24 109.507 172.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 64.7 t -58.16 -39.46 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.705 1.202 . . . . 63.43 112.194 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.26 -42.25 69.01 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.36 0.664 . . . . 71.31 110.974 -175.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.606 ' HG3' HD11 ' A' ' 82' ' ' ILE . 25.2 ptm -73.26 -23.98 60.39 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 119.057 -0.497 . . . . 61.14 110.969 178.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 19' ' ' VAL . 81.1 mt -64.09 -48.81 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 108.722 -0.844 . . . . 63.33 108.722 169.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -52.5 -45.03 66.03 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.964 0.905 . . . . 74.43 111.868 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.35 -38.94 55.17 Favored 'General case' 0 C--O 1.207 -1.145 0 CA-C-O 118.948 -0.549 . . . . 71.34 110.583 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -63.72 -28.89 70.19 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 118.355 0.525 . . . . 61.33 110.86 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 68.9 mt -74.82 -54.91 6.45 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 109.225 -0.657 . . . . 65.33 109.225 171.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.97 -26.4 68.82 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.731 0.812 . . . . 74.01 112.858 -171.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 62.0 p -91.4 -52.33 4.84 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.651 0.78 . . . . 60.42 110.477 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -91.11 -49.85 6.17 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.54 0.57 . . . . 73.32 112.54 -169.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.8 mm -89.61 -59.09 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 123.023 0.529 . . . . 73.43 112.26 -168.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.428 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 50.1 mtp180 -49.53 -54.08 34.4 Favored Pre-proline 0 N--CA 1.49 1.552 0 CA-C-O 117.676 -1.154 . . . . 75.13 113.186 -173.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 44.3 Cg_exo -57.96 -37.12 97.27 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 121.939 1.759 . . . . 63.54 112.529 -179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.9 m -63.18 -46.74 85.7 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.827 0.851 . . . . 73.14 110.966 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.2 t -73.04 -27.67 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 116.1 -0.5 . . . . 62.14 110.325 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -72.8 -30.06 63.77 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.113 0.565 . . . . 75.23 111.411 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -78.12 -26.22 47.81 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.914 0.486 . . . . 63.22 110.028 171.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -72.65 -22.56 60.91 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.642 0.777 . . . . 41.24 110.663 170.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.03 -24.42 10.75 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 116.22 -0.445 . . . . 42.53 112.899 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.09 -153.46 29.88 Favored Glycine 0 C--N 1.348 1.218 0 N-CA-C 112.189 -0.364 . . . . 73.31 112.189 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.459 ' HB3' ' HG3' ' A' ' 57' ' ' GLN . 21.9 t0 -173.13 159.39 3.89 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.987 0.915 . . . . 72.51 109.215 177.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 m -125.77 126.09 69.5 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 107.631 -1.248 . . . . 72.32 107.631 176.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -116.69 126.51 74.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 108.351 -0.981 . . . . 72.11 108.351 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' OH ' HG13 ' A' ' 20' ' ' VAL . 84.0 t80 -67.46 114.25 5.98 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 122.656 0.382 . . . . 71.42 110.304 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.466 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 9.4 mmpt? -97.92 -43.16 7.21 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.638 0.775 . . . . 72.11 111.612 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.37 -176.57 41.97 Favored Glycine 0 C--N 1.349 1.285 0 C-N-CA 120.756 -0.735 . . . . 61.33 114.586 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -156.26 110.96 2.84 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.927 1.291 . . . . 74.21 107.618 176.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -139.41 124.61 18.95 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.979 0.512 . . . . 74.24 109.892 -176.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 57.51 33.0 22.69 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.912 1.285 . . . . 72.55 111.885 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.53 2.3 82.46 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.594 -0.73 . . . . 62.33 113.963 178.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.4 mm -101.91 114.27 40.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.353 0.661 . . . . 70.12 109.955 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.532 ' HB ' HG22 ' A' ' 88' ' ' VAL . 33.1 t -81.7 110.33 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.783 0.833 . . . . 64.24 109.324 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.557 ' HB3' HG21 ' A' ' 91' ' ' VAL . 79.5 mt-30 -86.55 121.05 28.55 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.335 0.654 . . . . 74.13 109.853 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.6 mt -130.46 137.7 49.92 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.863 0.865 . . . . 75.44 111.47 -175.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HG3' ' HA ' ' A' ' 92' ' ' MET . 87.9 tttt -90.94 109.65 20.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.103 0.961 . . . . 74.31 109.523 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.407 HD12 HG23 ' A' ' 67' ' ' ILE . 30.7 mt -90.86 140.58 29.67 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.234 -0.654 . . . . 73.31 109.234 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.459 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 83.6 mm-40 -102.04 165.69 11.03 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.241 0.616 . . . . 71.22 112.287 -175.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.49 84.41 0.08 OUTLIER Glycine 0 C--N 1.356 1.643 0 CA-C-N 115.237 -0.892 . . . . 63.43 114.306 -174.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t 176.56 -55.38 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 125.615 1.566 . . . . 54.11 107.924 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.3 p -75.32 -9.66 58.76 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.649 -1.16 . . . . 41.53 110.781 173.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -99.46 -1.93 37.31 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.231 1.013 . . . . 71.44 112.682 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.1 m -61.48 -21.8 64.51 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 113.308 0.855 . . . . 63.04 113.308 -171.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 24.3 p -146.34 148.37 34.28 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 123.397 0.679 . . . . 72.42 109.337 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.57 -27.31 81.61 Favored 'Trans proline' 0 C--N 1.385 2.468 0 C-N-CA 122.378 2.052 . . . . 73.52 111.77 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.8 m -56.72 -54.22 48.78 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.802 0.841 . . . . 64.34 111.382 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 63.9 p -68.19 -36.08 79.01 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.201 0.6 . . . . 73.12 111.937 -176.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 56' ' ' LEU . 76.1 mt -54.22 -53.77 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.536 0.735 . . . . 71.13 110.584 175.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 79.6 mt -70.35 -41.1 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 115.016 -0.993 . . . . 74.41 110.954 -175.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.2 m -64.07 -44.86 91.12 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.277 0.631 . . . . 74.4 111.537 -177.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.8 tp -60.18 -50.47 73.53 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.184 0.594 . . . . 73.13 109.843 174.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.47 -34.78 69.37 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.691 1.196 . . . . 75.22 112.005 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -75.85 -42.0 50.82 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.403 0.681 . . . . 71.04 111.491 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.46 -40.76 99.17 Favored Glycine 0 C--N 1.347 1.193 0 N-CA-C 111.83 -0.508 . . . . 43.33 111.83 178.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.2 -45.2 99.05 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.938 0.895 . . . . 75.24 110.54 173.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.63 -47.54 85.75 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.636 0.585 . . . . 74.21 111.13 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -39.58 92.61 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.585 0.754 . . . . 73.55 111.22 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 46.6 ttp -61.12 -55.91 26.98 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.708 0.63 . . . . 71.22 110.205 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.593 ' HB3' HG21 ' A' ' 85' ' ' VAL . 95.9 mt -64.15 -32.58 74.21 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.693 0.797 . . . . 71.1 111.839 -176.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -68.39 -32.4 72.45 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.904 0.481 . . . . 74.54 111.362 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -64.63 -45.89 84.91 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.475 0.485 . . . . 73.41 110.681 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -83.56 -27.84 29.0 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.74 -0.664 . . . . 71.44 111.32 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.606 HD11 ' HG3' ' A' ' 22' ' ' MET . 81.5 mt -141.71 112.15 6.37 Favored Pre-proline 0 N--CA 1.484 1.267 0 C-N-CA 123.884 0.874 . . . . 54.1 110.023 -168.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.28 -11.65 22.95 Favored 'Trans proline' 0 C--N 1.372 1.816 0 C-N-CA 122.332 2.021 . . . . 71.43 112.755 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -68.89 -28.54 66.78 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.548 0.739 . . . . 74.22 111.109 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.593 HG21 ' HB3' ' A' ' 78' ' ' LEU . 84.0 t -71.61 104.84 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 109.343 -0.614 . . . . 72.12 109.343 176.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -91.81 -31.6 15.68 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.281 1.033 . . . . 72.43 110.459 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.96 175.05 38.5 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 116.094 -0.503 . . . . 72.5 112.379 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 52' ' ' VAL . 82.9 t -131.58 142.81 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 N-CA-C 108.152 -1.055 . . . . 71.25 108.152 173.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -124.75 143.06 50.98 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.267 1.027 . . . . 75.24 109.335 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -84.3 124.94 31.79 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.424 -0.954 . . . . 64.44 108.424 170.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 53' ' ' GLN . 6.2 m -134.73 106.1 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 124.141 0.977 . . . . 64.22 108.733 172.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.405 ' HA ' ' HG3' ' A' ' 55' ' ' LYS . 81.4 mtp -90.96 96.22 10.52 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.408 -0.96 . . . . 71.3 108.408 177.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -58.24 141.19 51.52 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.103 -0.953 . . . . 73.32 110.385 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.18 98.81 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.065 1.346 . . . . 74.24 112.449 -171.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -125.17 -27.17 3.55 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.84 1.256 . . . . 64.14 111.117 -176.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.5 t -110.75 105.75 14.71 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.818 0.847 . . . . 72.3 110.097 -170.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 C--O 1.254 1.295 0 N-CA-C 108.824 -0.806 . . . . 71.53 108.824 178.779 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptp . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.509 0.195 . . . . 64.52 111.051 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.35 85.51 0.45 Allowed Glycine 0 C--N 1.346 1.132 0 CA-C-N 115.912 -0.585 . . . . 64.44 113.389 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -66.96 -20.97 65.98 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-O 121.731 0.777 . . . . 74.3 110.235 173.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -71.75 7.31 1.56 Allowed 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 126.047 1.739 . . . . 64.31 112.14 173.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -46.82 -55.66 7.55 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.528 1.131 . . . . 71.33 111.593 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -77.2 104.61 7.8 Favored 'General case' 0 CA--C 1.558 1.287 0 N-CA-C 109.312 -0.625 . . . . 71.53 109.312 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -158.73 140.22 13.37 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 122.078 -0.389 . . . . 75.51 110.282 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -84.76 159.96 20.36 Favored 'General case' 0 C--O 1.247 0.949 0 N-CA-C 107.424 -1.324 . . . . 73.31 107.424 162.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 m -60.92 103.53 0.28 Allowed 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 108.476 -0.935 . . . . 62.24 108.476 171.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -55.19 -34.91 64.29 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 124.658 1.183 . . . . 64.33 113.195 -162.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.3 ptp 72.02 -38.51 0.42 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 126.941 2.096 . . . . 72.41 114.239 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.13 79.62 0.88 Allowed Glycine 0 C--N 1.349 1.254 0 N-CA-C 111.522 -0.631 . . . . 34.22 111.522 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.2 p -65.42 108.35 1.94 Allowed 'General case' 0 C--O 1.244 0.78 0 C-N-CA 123.935 0.894 . . . . 65.01 109.044 175.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 73.09 -63.87 0.42 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.858 1.663 . . . . 72.53 111.009 -176.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -139.52 -83.0 0.27 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.176 0.59 . . . . 72.42 110.359 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -134.53 174.41 10.58 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-O 121.687 0.756 . . . . 75.23 111.887 -174.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -89.25 3.09 53.2 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 114.318 -1.31 . . . . 73.4 110.64 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.36 -57.14 19.63 Favored Glycine 0 C--N 1.361 1.917 0 N-CA-C 113.901 0.32 . . . . 75.32 113.901 -172.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 23' ' ' ILE . 75.6 t -64.69 -39.18 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 117.095 0.447 . . . . 65.14 109.942 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.495 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 63.9 t -57.63 -38.64 65.47 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 123.951 0.901 . . . . 74.14 110.486 178.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.56 87.07 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.353 1.061 . . . . 72.31 112.069 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.441 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 24.2 ptm -72.78 -27.06 61.77 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.044 0.137 . . . . 73.04 111.188 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 19' ' ' VAL . 64.9 mt -65.98 -39.86 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 109.371 -0.603 . . . . 74.32 109.371 173.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 20' ' ' VAL . 92.1 mttt -52.36 -46.23 66.08 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.45 0.7 . . . . 70.23 111.524 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 22' ' ' MET . 10.2 pt-20 -72.59 -46.02 56.33 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 123.579 0.55 . . . . 63.42 109.668 -176.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.42 -32.29 71.2 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.242 0.617 . . . . 75.03 111.555 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.6 mt -72.3 -54.99 7.9 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 109.633 -0.506 . . . . 72.22 109.633 173.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.8 -24.42 66.18 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.488 0.715 . . . . 71.54 112.558 -170.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.9 p -91.92 -52.95 4.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.788 0.835 . . . . 62.21 111.359 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' HD3' ' SD ' ' A' ' 77' ' ' MET . 49.2 mtp180 -89.17 -50.81 5.92 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.878 0.471 . . . . 73.13 111.94 -173.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.7 mm -85.89 -65.17 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-O 118.801 -0.618 . . . . 74.01 111.53 -167.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 48.9 mtp180 -43.23 -56.27 6.83 Favored Pre-proline 0 N--CA 1.487 1.386 0 CA-C-O 117.313 -1.327 . . . . 54.33 113.442 -173.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' A' ' 32' ' ' ARG . 46.3 Cg_exo -56.91 -39.83 88.54 Favored 'Trans proline' 0 C--N 1.406 3.553 0 C-N-CA 122.304 2.002 . . . . 65.03 112.256 -176.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.4 m -65.53 -44.11 87.91 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.81 0.844 . . . . 62.32 110.439 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 31' ' ' ILE . 14.1 t -70.66 -31.01 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.08 0.552 . . . . 64.31 110.518 -179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -67.14 -36.46 81.9 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.598 0.759 . . . . 71.45 110.815 176.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -73.26 -28.75 62.31 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.441 0.696 . . . . 72.03 110.632 173.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -75.04 -22.73 58.23 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.864 0.865 . . . . 72.14 111.179 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.68 -5.98 26.1 Favored Glycine 0 N--CA 1.473 1.139 0 CA-C-O 119.835 -0.425 . . . . 43.02 113.46 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.45 -151.59 14.07 Favored Glycine 0 N--CA 1.474 1.178 0 N-CA-C 111.473 -0.651 . . . . 65.22 111.473 173.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -174.7 162.32 3.3 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.659 1.183 . . . . 71.34 108.695 172.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG12 HD22 ' A' ' 56' ' ' LEU . 17.7 m -123.22 127.66 74.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 N-CA-C 107.653 -1.24 . . . . 73.41 107.653 176.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -119.06 128.6 75.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 107.754 -1.202 . . . . 64.4 107.754 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.62 123.75 25.42 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 109.554 -0.535 . . . . 73.22 109.554 -176.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.468 ' HA ' ' NZ ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -116.77 -33.29 4.85 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.787 0.835 . . . . 74.15 112.167 -172.558 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.23 176.65 48.13 Favored Glycine 0 C--N 1.347 1.15 0 C-N-CA 121.38 -0.438 . . . . 71.25 112.98 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -151.88 111.08 3.9 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 107.607 -1.257 . . . . 71.13 107.607 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -140.45 122.26 15.42 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.826 0.451 . . . . 62.14 110.337 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 64.97 20.13 12.03 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.781 1.232 . . . . 73.31 111.819 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.69 -3.06 57.39 Favored Glycine 0 C--N 1.344 1.005 0 CA-C-N 115.566 -0.743 . . . . 52.4 113.329 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.1 mm -96.07 109.85 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.139 0.576 . . . . 75.12 110.035 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.548 ' HB ' HG22 ' A' ' 88' ' ' VAL . 48.7 t -77.94 106.02 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.574 -0.899 . . . . 52.32 108.574 177.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -91.95 116.76 29.19 Favored 'General case' 0 C--O 1.243 0.739 0 C-N-CA 123.702 0.801 . . . . 74.21 110.04 -174.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -126.09 138.21 53.68 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.719 1.208 . . . . 70.45 110.438 -173.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -86.54 114.15 23.04 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.221 -1.029 . . . . 64.12 108.221 172.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.483 HD13 HD23 ' A' ' 70' ' ' LEU . 35.9 mt -93.53 137.98 32.26 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.238 -0.653 . . . . 74.32 109.238 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -96.38 167.6 11.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.787 0.835 . . . . 64.4 111.692 -177.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.42 169.97 2.77 Favored Glycine 0 C--N 1.359 1.819 0 O-C-N 124.337 1.023 . . . . 22.22 115.212 -174.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.5 m 77.63 -58.79 0.47 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.796 1.638 . . . . 54.53 110.525 -173.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.71 ' SG ' HD22 ' A' ' 70' ' ' LEU . 39.1 t -68.41 -32.27 72.2 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.203 0.601 . . . . 72.11 110.885 176.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.409 ' HA ' HG12 ' A' ' 67' ' ' ILE . 64.8 p -82.16 -23.91 35.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.333 0.653 . . . . 60.14 111.79 179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.9 m -64.66 -23.04 67.13 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.592 0.757 . . . . 73.33 111.428 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.1 m -115.8 114.33 41.92 Favored Pre-proline 0 CA--C 1.555 1.163 0 C-N-CA 124.058 0.943 . . . . 54.34 108.95 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.13 -34.8 88.83 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.032 2.488 . . . . 74.44 113.233 -174.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -70.27 -30.08 67.02 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 123.03 0.532 . . . . 75.44 111.148 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.0 m -71.28 -31.27 67.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.749 0.42 . . . . 33.52 111.456 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.409 HG12 ' HA ' ' A' ' 61' ' ' THR . 38.8 mt -63.7 -43.25 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 109.45 -0.574 . . . . 74.31 109.45 173.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.48 -56.41 17.88 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 C-N-CA 123.59 0.756 . . . . 55.22 110.56 178.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 m -59.49 -40.72 87.9 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.575 0.75 . . . . 72.24 111.217 -176.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.71 HD22 ' SG ' ' A' ' 60' ' ' CYS . 60.5 tp -61.53 -61.91 2.19 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 123.768 0.667 . . . . 72.53 110.174 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -58.31 -42.07 85.89 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 124.422 1.076 . . . . 75.43 111.641 -174.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -65.93 -40.85 91.78 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.945 0.898 . . . . 75.21 111.483 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.05 -44.18 91.94 Favored Glycine 0 C--N 1.341 0.833 0 O-C-N 123.368 0.417 . . . . 41.14 112.184 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 70' ' ' LEU . 79.2 mt -58.02 -45.81 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.324 1.05 . . . . 74.45 109.662 174.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -59.93 -57.37 13.17 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 114.508 -1.224 . . . . 75.4 110.673 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -62.25 -33.11 73.97 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.994 0.809 . . . . 72.5 111.726 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.423 ' SD ' ' HD3' ' A' ' 30' ' ' ARG . 40.5 ttp -63.08 -53.72 49.28 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.128 0.571 . . . . 75.31 109.94 175.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.553 ' HB3' HG21 ' A' ' 85' ' ' VAL . 99.2 mt -66.99 -29.24 69.03 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.723 0.809 . . . . 71.54 111.292 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -71.72 -31.52 66.8 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.355 0.662 . . . . 73.13 110.86 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -64.78 -48.53 74.14 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.564 0.54 . . . . 74.3 110.339 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -79.71 -37.99 34.46 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.126 -0.943 . . . . 65.14 111.339 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.3 mt -127.1 112.78 21.71 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 123.84 0.856 . . . . 72.21 109.957 -165.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -72.94 -9.02 23.18 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 123.154 2.57 . . . . 73.35 112.915 177.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.53 -30.49 63.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.091 0.556 . . . . 74.13 110.839 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.553 HG21 ' HB3' ' A' ' 78' ' ' LEU . 97.7 t -73.73 99.12 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 123.716 0.806 . . . . 62.42 111.085 -175.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.16 -39.19 68.89 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.534 0.734 . . . . 74.35 110.548 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.31 -175.86 37.65 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.324 -0.853 . . . . 53.24 112.404 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.548 HG22 ' HB ' ' A' ' 52' ' ' VAL . 70.3 t -129.89 146.39 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.844 1.257 . . . . 74.42 107.887 174.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -135.99 141.46 44.4 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.215 0.606 . . . . 52.11 109.656 -177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -84.09 121.8 27.93 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 108.828 -0.805 . . . . 62.32 108.828 173.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.8 m -125.24 123.33 64.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.296 1.038 . . . . 73.34 109.526 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 10.6 ptm -89.51 85.61 6.56 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 121.213 0.53 . . . . 64.51 110.018 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.11 78.06 6.78 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 107.799 -1.186 . . . . 73.21 107.799 165.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -158.4 149.2 20.46 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 112.359 -2.201 . . . . 75.45 106.116 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -83.88 -18.97 35.67 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 111.699 0.259 . . . . 74.2 111.699 -170.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.4 t -163.97 112.35 1.17 Allowed 'General case' 0 C--O 1.242 0.672 0 C-N-CA 123.832 0.853 . . . . 64.24 108.755 172.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 CA--C 1.554 1.131 0 C-N-CA 123.007 0.523 . . . . 64.32 110.209 176.828 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mmm . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 110.244 -0.28 . . . . 74.14 110.244 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.42 -83.48 0.55 Allowed Glycine 0 C--N 1.35 1.311 0 O-C-N 123.636 0.585 . . . . 71.43 113.292 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -67.45 113.42 5.3 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.948 0.899 . . . . 72.53 111.565 -176.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -74.21 127.48 33.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.592 0.757 . . . . 73.03 109.177 175.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -158.47 115.28 2.8 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 123.731 0.812 . . . . 74.32 109.148 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -71.3 155.16 41.0 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.107 0.479 . . . . 71.32 110.676 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -78.03 144.25 36.79 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.694 -0.854 . . . . 73.43 108.694 172.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -59.33 120.42 9.25 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 109.201 -0.666 . . . . 55.21 109.201 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.1 m -54.08 104.04 0.1 Allowed 'General case' 0 C--N 1.353 0.749 0 C-N-CA 124.618 1.167 . . . . 65.23 112.639 -165.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -74.32 84.57 1.93 Allowed 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.343 -0.844 . . . . 64.04 108.974 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.7 tpt -128.71 148.4 50.83 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.954 1.302 . . . . 70.24 108.971 -172.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.13 98.6 0.05 OUTLIER Glycine 0 C--N 1.355 1.62 0 O-C-N 123.893 0.746 . . . . 32.53 112.973 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.5 t -149.36 171.98 15.65 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.125 0.97 . . . . 25.34 110.64 -172.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -72.05 -28.49 63.38 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.069 0.948 . . . . 61.41 109.62 173.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -69.07 -30.38 68.7 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.427 1.091 . . . . 74.44 111.221 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -71.2 155.55 40.6 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.871 -1.059 . . . . 73.3 111.542 -170.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -78.41 3.94 14.42 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.099 0.959 . . . . 73.54 112.158 -178.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.44 -35.27 90.78 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 112.181 -0.368 . . . . 53.23 112.181 168.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 23' ' ' ILE . 98.8 t -62.5 -50.0 81.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.588 0.755 . . . . 73.41 109.637 171.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.7 t -59.7 -34.05 54.12 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 C-N-CA 123.937 0.895 . . . . 72.35 111.022 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.47 -45.46 68.94 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.057 0.943 . . . . 70.55 111.605 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.429 ' HG3' HD11 ' A' ' 82' ' ' ILE . 26.3 ptm -72.8 -23.87 60.84 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 119.514 -0.279 . . . . 72.34 110.959 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 19' ' ' VAL . 88.6 mt -67.32 -45.51 85.82 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 N-CA-C 109.054 -0.721 . . . . 75.22 109.054 169.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -54.45 -42.33 70.47 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.194 0.598 . . . . 64.4 110.912 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.84 -52.25 52.05 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 124.066 0.854 . . . . 65.51 111.063 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.3 mt -60.1 -36.68 77.97 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.579 0.752 . . . . 73.44 111.281 -178.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.4 -49.64 58.62 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.801 -0.444 . . . . 64.43 109.801 175.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 26.7 t70 -66.47 -33.95 76.84 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.536 0.734 . . . . 45.33 112.665 -169.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.4 p -87.95 -46.93 8.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.081 0.552 . . . . 72.0 111.652 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -89.15 -54.0 4.31 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.24 0.616 . . . . 72.34 111.955 -169.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.9 mm -88.79 -57.04 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 CA-C-N 115.939 -0.573 . . . . 74.24 111.216 -165.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 73.9 mtp180 -51.15 -55.48 27.98 Favored Pre-proline 0 N--CA 1.481 1.121 0 CA-C-O 117.416 -1.278 . . . . 74.41 112.914 -172.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.471 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 32.6 Cg_exo -59.77 -37.85 84.29 Favored 'Trans proline' 0 C--N 1.395 2.979 0 C-N-CA 122.328 2.019 . . . . 72.13 111.927 -175.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 50.2 m -60.86 -47.82 84.64 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.025 0.93 . . . . 44.04 110.743 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.651 HG13 ' SG ' ' A' ' 60' ' ' CYS . 40.4 t -72.38 -30.28 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 CA-C-N 115.677 -0.692 . . . . 54.3 110.365 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 74.0 mt-30 -67.44 -38.87 85.18 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.638 0.775 . . . . 65.33 111.233 178.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 33' ' ' PRO . 45.5 mt-10 -71.19 -33.04 69.58 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.356 0.41 . . . . 63.34 109.914 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.76 -21.03 63.47 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.507 -0.77 . . . . 73.2 110.79 175.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.03 -13.13 11.38 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-O 120.092 -0.282 . . . . 74.03 113.281 172.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 36' ' ' GLN . . . -103.66 -145.76 15.42 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-O 120.064 -0.298 . . . . 43.01 113.124 177.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.8 t0 179.3 159.88 0.69 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.573 1.549 . . . . 74.42 108.385 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.6 m -123.05 120.86 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.85 0 N-CA-C 108.521 -0.918 . . . . 72.44 108.521 174.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.463 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.4 mp -113.08 121.17 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 N-CA-C 108.321 -0.992 . . . . 74.44 108.321 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.448 ' OH ' ' HB2' ' A' ' 47' ' ' PHE . 1.6 t80 -71.7 112.87 8.17 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.232 0.613 . . . . 75.41 109.642 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -97.73 -44.6 6.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.713 0.805 . . . . 72.03 111.967 -174.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.66 167.76 37.95 Favored Glycine 0 C--N 1.348 1.224 0 C-N-CA 120.572 -0.823 . . . . 73.13 114.802 -175.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.448 ' HB2' ' OH ' ' A' ' 44' ' ' TYR . 39.8 t80 -146.1 113.62 6.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.711 1.204 . . . . 74.1 108.067 179.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -146.96 124.0 11.41 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.248 0.619 . . . . 61.34 109.772 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 66.91 19.03 10.66 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.989 1.315 . . . . 62.33 111.938 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.58 -0.48 70.8 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 116.682 -0.235 . . . . 74.02 113.078 -175.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.1 mm -92.93 112.13 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.6 0.76 . . . . 75.23 109.471 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.508 ' HB ' HG22 ' A' ' 88' ' ' VAL . 58.0 t -88.67 100.56 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.468 1.107 . . . . 71.42 109.077 -178.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.63 115.7 20.28 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.164 0.586 . . . . 75.44 109.457 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -120.3 141.02 50.39 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.126 0.97 . . . . 72.22 111.248 -176.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.607 ' HD2' ' HB3' ' A' ' 93' ' ' ASP . 79.0 tttt -90.89 108.14 19.65 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.706 1.202 . . . . 75.41 109.258 177.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.9 mt -91.56 132.12 36.52 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.174 -0.676 . . . . 74.05 109.174 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.6 ' NE2' ' HE2' ' A' ' 55' ' ' LYS . 76.9 mm-40 -95.27 175.37 6.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.214 0.606 . . . . 70.13 110.543 175.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -54.99 169.06 1.88 Allowed Glycine 0 C--N 1.353 1.498 0 O-C-N 124.04 0.837 . . . . 75.43 114.513 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.3 t 75.75 -52.43 0.63 Allowed 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.513 1.525 . . . . 72.23 110.4 -169.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.651 ' SG ' HG13 ' A' ' 35' ' ' VAL . 83.8 m -82.25 -50.13 9.32 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.319 0.647 . . . . 65.3 111.275 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.4 t -76.56 -13.33 60.09 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.735 0.414 . . . . 63.03 111.628 -175.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m -69.69 -22.33 63.42 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.912 0.885 . . . . 61.33 112.218 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 75.4 m -128.19 122.13 21.94 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 123.498 0.719 . . . . 74.43 109.216 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.511 ' HA ' HD12 ' A' ' 67' ' ' ILE . 28.6 Cg_endo -60.15 -23.54 74.01 Favored 'Trans proline' 0 C--N 1.383 2.365 0 C-N-CA 123.513 2.809 . . . . 70.01 112.777 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.2 p -62.31 -51.58 67.1 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.783 0.833 . . . . 63.35 110.105 172.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 42.5 m -70.94 -27.31 63.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.651 0.781 . . . . 52.34 111.75 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 64' ' ' PRO . 87.2 mt -61.53 -51.58 71.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.097 0.559 . . . . 73.44 109.983 173.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.54 -46.18 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 123.863 0.727 . . . . 54.13 110.63 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.4 m -63.18 -44.79 94.41 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.211 0.604 . . . . 71.41 111.494 -177.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.0 tp -65.22 -46.56 80.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.814 0.445 . . . . 63.01 109.944 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -57.43 -43.76 84.14 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.125 0.97 . . . . 43.54 111.314 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -67.53 -42.73 82.25 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.397 1.079 . . . . 73.42 110.993 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.82 -47.52 89.7 Favored Glycine 0 C--N 1.344 1.004 0 O-C-N 123.658 0.599 . . . . 73.43 112.043 179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.95 -40.72 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.871 0.869 . . . . 64.13 110.188 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -59.2 -56.83 17.16 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.613 0.765 . . . . 73.21 110.164 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -64.16 -30.93 71.96 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.629 0.581 . . . . 65.43 111.501 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -67.01 -48.81 67.27 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.678 0.391 . . . . 74.53 110.695 177.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.521 ' HB3' HG21 ' A' ' 85' ' ' VAL . 90.7 mt -66.59 -35.49 80.33 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.635 0.774 . . . . 71.41 111.198 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -73.01 -28.61 62.46 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.501 0.72 . . . . 74.31 111.157 177.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -64.13 -45.17 89.76 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.832 0.853 . . . . 74.24 110.465 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -90.73 -34.46 15.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.69 -0.686 . . . . 74.54 111.462 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.429 HD11 ' HG3' ' A' ' 22' ' ' MET . 42.1 mt -125.11 107.24 28.01 Favored Pre-proline 0 N--CA 1.482 1.167 0 C-N-CA 123.689 0.796 . . . . 60.53 109.912 -172.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.09 -11.61 30.73 Favored 'Trans proline' 0 C--N 1.369 1.634 0 C-N-CA 122.961 2.441 . . . . 70.33 113.071 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -70.21 -26.66 63.97 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.676 0.79 . . . . 65.34 112.046 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.521 HG21 ' HB3' ' A' ' 78' ' ' LEU . 85.7 t -73.57 120.6 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 123.188 0.595 . . . . 73.21 110.201 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -94.9 -31.99 13.43 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.192 0.997 . . . . 75.43 110.929 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.96 -178.22 41.37 Favored Glycine 0 C--N 1.34 0.779 0 CA-C-N 116.325 -0.398 . . . . 52.42 113.289 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.508 HG22 ' HB ' ' A' ' 52' ' ' VAL . 63.1 t -131.26 134.68 60.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 124.941 1.296 . . . . 73.42 108.11 175.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -114.41 142.75 45.95 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.639 0.776 . . . . 75.23 109.628 176.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -85.71 125.13 32.97 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.577 -0.527 . . . . 65.01 109.577 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 11.6 m -131.13 109.4 16.35 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 N-CA-C 108.547 -0.909 . . . . 70.43 108.547 172.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 71.1 mtm -91.64 91.14 7.88 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.645 -0.659 . . . . 61.34 110.911 -174.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.607 ' HB3' ' HD2' ' A' ' 55' ' ' LYS . 10.9 t70 -81.48 71.92 8.51 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 122.087 0.946 . . . . 71.03 109.866 174.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -149.8 119.63 7.09 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 107.62 -1.252 . . . . 52.52 107.62 177.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 50.04 25.74 1.81 Allowed 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 126.066 1.747 . . . . 62.44 112.551 -171.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.0 t -127.93 0.96 5.97 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.33 0.652 . . . . 64.32 111.872 -171.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 C--O 1.253 1.26 0 CA-C-O 119.251 -0.405 . . . . 75.41 110.107 179.236 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpp? . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 108.865 -0.791 . . . . 73.41 108.865 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.34 -112.59 0.13 Allowed Glycine 0 C--N 1.344 1.015 0 N-CA-C 111.042 -0.823 . . . . 63.31 111.042 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -74.12 134.25 42.86 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 108.86 -0.793 . . . . 75.45 108.86 174.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -55.93 -53.47 56.48 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.021 0.528 . . . . 73.43 111.261 -173.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -85.0 84.06 7.85 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 106.961 -1.496 . . . . 65.21 106.961 168.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -57.71 161.3 3.8 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.293 1.437 . . . . 74.23 112.653 -172.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -63.8 87.79 0.04 OUTLIER 'General case' 0 C--N 1.36 1.046 0 CA-C-O 121.661 0.743 . . . . 72.04 109.639 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -101.89 -74.14 0.63 Allowed 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.017 -1.447 . . . . 72.2 108.788 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.4 p 178.51 135.66 0.08 Allowed 'General case' 0 C--N 1.349 0.559 0 C-N-CA 124.757 1.223 . . . . 63.4 108.937 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -109.78 132.81 53.81 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.179 -1.045 . . . . 75.35 108.179 170.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.3 mpp? 65.03 -71.49 0.08 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.695 1.598 . . . . 61.12 109.63 -170.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.98 155.02 7.76 Favored Glycine 0 C--N 1.346 1.132 0 N-CA-C 110.703 -0.959 . . . . 72.15 110.703 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 p -71.6 -49.29 41.73 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.152 0.581 . . . . 60.14 109.466 170.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -161.29 155.65 22.89 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 124.411 1.084 . . . . 73.41 109.028 173.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -78.32 175.99 9.73 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.634 0.374 . . . . 72.4 110.684 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 54.55 47.92 21.61 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 121.984 0.897 . . . . 74.31 108.714 -162.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -70.59 -0.95 9.64 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 114.152 -1.385 . . . . 63.14 111.391 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.46 -36.88 86.48 Favored Glycine 0 C--N 1.351 1.383 0 C-N-CA 123.292 0.473 . . . . 52.45 113.217 168.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG13 HD13 ' A' ' 82' ' ' ILE . 76.0 t -60.56 -52.46 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.362 0.665 . . . . 62.44 109.518 171.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.525 HG12 ' HE3' ' A' ' 24' ' ' LYS . 88.1 t -60.54 -34.6 58.89 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 C-N-CA 124.645 1.178 . . . . 65.11 110.755 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.52 -42.08 59.5 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.964 0.906 . . . . 72.31 110.818 -176.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.545 ' HG3' HD11 ' A' ' 82' ' ' ILE . 24.3 ptp -71.27 -31.22 67.23 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.004 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 19' ' ' VAL . 96.1 mt -58.35 -50.27 79.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 N-CA-C 109.105 -0.702 . . . . 71.21 109.105 171.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HE3' HG12 ' A' ' 20' ' ' VAL . 96.8 mttt -54.69 -41.45 70.26 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.951 0.782 . . . . 74.35 112.718 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -74.4 -43.29 57.03 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 109.737 -0.468 . . . . 64.34 109.737 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.14 -33.46 75.5 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.838 0.855 . . . . 74.54 110.913 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 95.6 mt -65.37 -56.13 14.29 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 109.314 -0.624 . . . . 65.21 109.314 171.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -64.99 -32.27 73.92 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 116.15 -0.477 . . . . 62.32 112.269 -169.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.2 p -90.33 -43.51 10.29 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.731 0.812 . . . . 64.15 111.88 -174.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -99.09 -54.1 3.07 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.484 0.179 . . . . 75.04 111.484 -175.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 35' ' ' VAL . 50.7 mm -76.24 -62.85 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 118.744 -0.646 . . . . 50.3 111.267 -167.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 mtp180 -44.45 -51.72 19.46 Favored Pre-proline 0 N--CA 1.486 1.369 0 CA-C-O 116.931 -1.509 . . . . 73.01 113.171 -177.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 69.4 Cg_exo -51.32 -49.29 17.6 Favored 'Trans proline' 0 C--N 1.404 3.457 0 C-N-CA 122.509 2.14 . . . . 71.41 112.299 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.0 m -60.14 -44.25 95.1 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.218 1.007 . . . . 75.22 111.721 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 31' ' ' ILE . 17.4 t -69.77 -32.57 52.59 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 CA-C-N 115.735 -0.666 . . . . 74.22 110.456 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -76.32 -18.87 58.72 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.754 0.822 . . . . 62.44 111.112 177.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 33' ' ' PRO . 6.3 mm-40 -68.8 -34.59 75.78 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 109.286 -0.635 . . . . 65.12 109.286 169.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -79.58 -23.11 42.97 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 115.286 -0.87 . . . . 74.31 110.645 174.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.84 -10.6 34.75 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 119.96 -0.356 . . . . 55.02 112.596 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.15 -162.15 37.33 Favored Glycine 0 C--N 1.348 1.196 0 N-CA-C 111.789 -0.525 . . . . 61.41 111.789 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' HB3' ' HG3' ' A' ' 57' ' ' GLN . 26.2 t0 -166.85 162.81 16.15 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.246 0.618 . . . . 74.14 109.548 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 m -128.34 130.78 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.866 0.866 . . . . 63.0 109.488 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.545 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.2 mp -115.28 129.09 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 107.69 -1.226 . . . . 71.34 107.69 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.448 ' OH ' HG13 ' A' ' 20' ' ' VAL . 74.5 t80 -72.18 128.2 34.94 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 109.821 -0.437 . . . . 64.15 109.821 176.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.576 ' HE2' ' HA ' ' A' ' 45' ' ' LYS . 9.7 mmpt? -113.14 -46.38 3.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.543 0.737 . . . . 73.41 111.323 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.44 -174.26 41.07 Favored Glycine 0 C--N 1.342 0.888 0 C-N-CA 120.266 -0.969 . . . . 72.15 113.965 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -155.93 109.89 2.79 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 106.345 -1.724 . . . . 71.34 106.345 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -138.0 123.71 19.86 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.077 -0.712 . . . . 71.44 109.077 -174.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 60.83 30.72 19.84 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.677 1.191 . . . . 62.45 111.107 177.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.1 2.86 85.6 Favored Glycine 0 C--N 1.347 1.194 0 CA-C-N 115.868 -0.606 . . . . 75.41 113.796 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.2 mm -104.36 116.81 48.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.324 0.65 . . . . 72.44 110.062 -178.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.592 ' HB ' HG22 ' A' ' 88' ' ' VAL . 46.1 t -82.42 111.89 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 123.566 0.746 . . . . 61.05 109.6 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -87.15 120.81 28.82 Favored 'General case' 0 C--O 1.244 0.779 0 C-N-CA 123.143 0.577 . . . . 63.52 109.453 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.6 mt -126.77 136.72 52.78 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.25 0.62 . . . . 64.03 110.753 -177.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.545 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 79.5 tttt -87.25 110.26 20.06 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.437 -0.949 . . . . 65.22 108.437 172.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.6 mt -90.73 146.45 23.98 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.646 -0.872 . . . . 65.0 108.646 178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.41 ' HG3' ' HB3' ' A' ' 41' ' ' ASP . 76.1 mm-40 -95.38 176.59 6.14 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.268 0.627 . . . . 62.43 111.104 179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.41 166.41 20.88 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.42 -0.655 . . . . 33.44 112.116 172.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.5 t 76.31 -55.84 0.58 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.302 1.441 . . . . 61.35 110.318 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.533 ' HB2' HD22 ' A' ' 70' ' ' LEU . 27.8 p -74.66 -5.29 42.24 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 112.593 0.59 . . . . 74.43 112.593 177.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.487 ' HA ' HG12 ' A' ' 67' ' ' ILE . 21.6 p -109.52 8.58 25.22 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.767 0.827 . . . . 70.01 111.862 175.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.2 m -69.73 103.77 2.24 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 119.278 -0.392 . . . . 62.24 110.986 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 73.6 m 74.72 145.84 0.11 Allowed Pre-proline 0 N--CA 1.488 1.464 0 C-N-CA 125.206 1.403 . . . . 74.24 111.317 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -58.54 -41.29 66.12 Favored 'Trans proline' 0 C--N 1.384 2.423 0 C-N-CA 123.08 2.52 . . . . 72.15 112.799 -173.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -54.93 -40.23 69.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.689 0.796 . . . . 74.14 112.109 -177.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.5 m -67.8 -40.4 83.9 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 123.544 0.527 . . . . 65.24 111.268 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.487 HG12 ' HA ' ' A' ' 61' ' ' THR . 45.7 mt -64.44 -41.33 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 122.977 0.511 . . . . 64.3 110.202 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.13 -49.99 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 123.882 0.873 . . . . 63.45 109.985 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.0 m -62.63 -40.32 96.6 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.542 0.737 . . . . 62.13 111.261 -178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.533 HD22 ' HB2' ' A' ' 60' ' ' CYS . 62.2 tp -66.31 -58.71 4.75 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.494 0.497 . . . . 65.04 109.964 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -56.14 -40.21 73.46 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.626 1.17 . . . . 54.31 111.52 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -73.71 -34.51 64.85 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.366 0.666 . . . . 61.12 111.732 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.01 -45.88 94.68 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 111.184 -0.766 . . . . 73.14 111.184 174.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.4 mt -63.7 -43.53 98.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.827 0.851 . . . . 61.44 109.918 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -58.68 -57.8 11.41 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.265 0.978 . . . . 65.23 110.554 -177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -63.97 -30.53 71.6 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.479 0.711 . . . . 75.33 111.585 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -67.12 -46.56 73.79 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 109.973 -0.38 . . . . 73.14 109.973 174.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.511 HD13 HG21 ' A' ' 52' ' ' VAL . 89.7 mt -68.9 -26.82 65.3 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.621 0.769 . . . . 72.44 111.671 178.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 98.4 mt-30 -80.52 -26.27 38.22 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.621 0.768 . . . . 71.41 110.467 177.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -66.86 -33.83 76.46 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.17 0.988 . . . . 74.11 110.482 176.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -94.95 -40.07 9.87 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.21 0.604 . . . . 73.2 111.324 177.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.545 HD11 ' HG3' ' A' ' 22' ' ' MET . 37.6 mt -127.04 115.14 21.93 Favored Pre-proline 0 N--CA 1.483 1.21 0 C-N-CA 123.345 0.658 . . . . 74.04 110.384 -170.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -74.85 -8.75 20.54 Favored 'Trans proline' 0 C--N 1.374 1.89 0 C-N-CA 122.764 2.309 . . . . 72.1 112.613 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' H ' HG22 ' A' ' 82' ' ' ILE . 16.1 mm-40 -76.86 -25.24 52.9 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.096 0.558 . . . . 71.55 111.32 179.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.449 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 84.6 t -72.03 97.78 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 N-CA-C 109.552 -0.536 . . . . 74.04 109.552 175.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -73.39 -28.86 62.24 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.517 0.727 . . . . 71.42 111.108 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -173.19 -177.2 42.26 Favored Glycine 0 C--N 1.341 0.839 0 C-N-CA 121.514 -0.374 . . . . 51.2 113.489 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.592 HG22 ' HB ' ' A' ' 52' ' ' VAL . 77.8 t -132.52 139.73 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.991 1.317 . . . . 63.4 107.615 175.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -124.84 146.69 49.15 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 122.87 0.468 . . . . 70.54 110.297 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -84.75 127.21 34.0 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.482 -0.781 . . . . 72.14 109.016 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 24.0 m -131.62 163.81 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.151 0.981 . . . . 73.34 108.553 170.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 76.7 mtp -129.99 140.5 50.88 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 108.37 -0.974 . . . . 75.4 108.37 174.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.65 148.08 31.7 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.471 0.708 . . . . 73.24 111.101 -168.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -176.88 -82.03 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 106.794 -1.558 . . . . 51.42 106.794 171.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -103.3 -26.24 13.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.849 0.86 . . . . 61.32 109.254 163.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -70.45 109.81 5.0 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.314 -0.857 . . . . 74.21 110.332 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 CA--C 1.55 0.951 0 O-C-N 123.823 0.702 . . . . 65.2 110.028 -177.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.524 -0.176 . . . . 74.34 110.524 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.92 35.71 4.16 Favored Glycine 0 C--N 1.352 1.421 0 N-CA-C 114.225 0.45 . . . . 42.21 114.225 -170.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -126.37 82.18 2.06 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.065 0.946 . . . . 63.42 108.788 171.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -79.4 89.96 5.01 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.77 -0.65 . . . . 63.15 110.693 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -64.52 104.88 0.85 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.976 -1.011 . . . . 74.43 111.097 -177.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 72.08 -61.57 0.49 Allowed 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 126.033 1.733 . . . . 72.02 111.492 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -44.01 116.39 0.99 Allowed 'General case' 0 C--N 1.359 0.983 0 C-N-CA 125.558 1.543 . . . . 74.12 111.699 173.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -96.38 114.25 25.91 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.14 -1.059 . . . . 53.14 108.14 175.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.8 p -69.55 94.98 0.8 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.48 0.712 . . . . 74.32 111.075 -174.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -140.5 69.11 1.35 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.479 0.712 . . . . 70.44 110.785 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 73.1 mtm -77.97 157.7 29.6 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.987 -0.552 . . . . 74.15 110.13 175.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -81.21 59.09 4.82 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 116.361 -0.381 . . . . 74.4 112.526 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.514 ' HB3' ' HB2' ' A' ' 16' ' ' ASP . 64.7 m -152.55 109.81 3.54 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.11 0.964 . . . . 64.51 109.476 -174.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.12 -47.75 48.86 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 108.802 -0.814 . . . . 45.3 108.802 171.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -158.25 79.26 0.82 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.329 -1.305 . . . . 71.31 109.065 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.514 ' HB2' ' HB3' ' A' ' 13' ' ' SER . 30.2 t70 -69.9 161.7 29.44 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 115.073 -0.967 . . . . 51.34 111.342 -175.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -70.77 -3.9 21.13 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.945 0.898 . . . . 74.5 111.753 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.11 -35.44 92.08 Favored Glycine 0 C--N 1.349 1.301 0 N-CA-C 112.039 -0.424 . . . . 71.4 112.039 169.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.483 HG13 HG21 ' A' ' 82' ' ' ILE . 76.6 t -56.26 -54.61 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.725 0.81 . . . . 75.34 109.494 170.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.9 t -55.88 -42.42 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.358 1.463 . . . . 74.11 111.693 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.91 -47.48 80.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.262 1.025 . . . . 65.15 111.3 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 25.4 ptm -76.99 -23.02 52.28 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 118.99 -0.528 . . . . 73.33 111.723 -177.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 19' ' ' VAL . 87.0 mt -62.95 -49.43 83.6 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 N-CA-C 108.31 -0.996 . . . . 72.15 108.31 171.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -52.29 -43.43 64.45 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.647 0.779 . . . . 61.2 111.553 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.91 -51.87 62.52 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 123.756 0.66 . . . . 74.33 110.295 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.56 -32.58 70.48 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.827 0.851 . . . . 73.14 111.424 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 23' ' ' ILE . 92.6 mt -71.28 -56.52 5.87 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.114 -0.699 . . . . 73.52 109.114 176.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 24.7 t70 -61.66 -29.57 70.16 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.389 1.076 . . . . 75.42 112.727 -169.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 66.8 p -100.21 -24.9 14.44 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 112.687 0.625 . . . . 64.41 112.687 -176.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -118.0 -57.03 2.13 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 122.581 0.353 . . . . 73.23 111.55 -172.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.5 mm -77.99 -60.13 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.142 0.577 . . . . 61.03 111.086 -169.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 28' ' ' ASP . 75.6 mtp180 -47.98 -51.77 45.25 Favored Pre-proline 0 CA--C 1.561 1.392 0 CA-C-O 116.874 -1.536 . . . . 71.34 112.125 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -54.63 -38.9 90.85 Favored 'Trans proline' 0 C--N 1.405 3.533 0 C-N-CA 122.557 2.171 . . . . 64.23 113.074 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.8 m -63.77 -46.39 85.47 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.311 0.644 . . . . 73.41 110.861 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 31' ' ' ILE . 6.0 t -70.03 -32.23 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 115.581 -0.736 . . . . 62.54 110.563 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -73.47 -31.17 63.62 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.363 0.665 . . . . 61.22 110.716 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -69.41 -33.52 73.12 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 122.741 0.416 . . . . 64.02 110.226 171.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.76 -23.19 61.56 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.502 0.721 . . . . 73.34 110.894 173.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.09 -27.15 6.51 Favored Glycine 0 C--N 1.342 0.903 0 N-CA-C 112.504 -0.238 . . . . 75.43 112.504 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.73 -148.24 20.54 Favored Glycine 0 C--N 1.346 1.096 0 CA-C-O 120.085 -0.286 . . . . 72.45 113.187 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -174.39 159.17 3.0 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.51 1.124 . . . . 72.52 108.717 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.438 HG13 HG21 ' A' ' 35' ' ' VAL . 26.9 m -122.65 125.98 73.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 N-CA-C 108.591 -0.892 . . . . 71.41 108.591 176.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.606 ' HB ' ' HB3' ' A' ' 55' ' ' LYS . 3.4 mp -110.93 125.78 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 N-CA-C 107.41 -1.33 . . . . 71.11 107.41 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -67.05 109.07 2.85 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 109.88 -0.415 . . . . 74.44 109.88 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HD2' ' HB2' ' A' ' 55' ' ' LYS . 8.9 mmpt? -88.49 -50.4 6.32 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.653 0.781 . . . . 73.44 110.335 -178.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.81 -171.41 41.21 Favored Glycine 0 C--N 1.345 1.062 0 C-N-CA 120.625 -0.797 . . . . 62.35 114.068 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -147.05 111.9 5.37 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 106.981 -1.488 . . . . 74.12 106.981 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -132.78 114.64 14.36 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.287 0.635 . . . . 74.03 109.591 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 61.3 38.69 16.24 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.493 1.117 . . . . 75.42 111.317 171.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.45 -3.84 82.06 Favored Glycine 0 C--N 1.345 1.071 0 CA-C-N 115.513 -0.767 . . . . 64.24 114.045 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 51.5 mm -102.96 114.21 41.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 123.397 0.679 . . . . 62.35 110.822 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.566 ' HB ' HG22 ' A' ' 88' ' ' VAL . 44.3 t -81.91 108.36 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.546 -0.909 . . . . 72.13 108.546 176.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -96.94 125.82 41.64 Favored 'General case' 0 C--O 1.243 0.754 0 C-N-CA 123.078 0.551 . . . . 74.41 109.592 -175.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.5 mt -129.47 147.55 51.3 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.586 0.754 . . . . 74.25 110.914 -173.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.606 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 85.7 tttt -88.64 110.37 20.88 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 124.293 1.037 . . . . 63.11 109.266 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.9 mt -87.02 135.79 33.15 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 109.35 -0.611 . . . . 73.01 109.35 177.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -95.53 174.97 6.74 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.705 0.802 . . . . 65.24 110.576 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.75 157.37 5.51 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 119.368 -0.684 . . . . 43.22 112.824 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.5 t 77.78 -66.92 0.21 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 125.329 1.451 . . . . 72.2 109.544 -167.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.7 p -68.9 -22.29 64.18 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.28 0.474 . . . . 64.35 112.28 -175.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.449 ' HA ' HG12 ' A' ' 67' ' ' ILE . 12.2 t -105.23 3.26 29.89 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 122.895 0.478 . . . . 74.31 111.926 176.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.9 t -71.84 -58.57 3.35 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.085 0.554 . . . . 71.14 111.166 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 74.8 m -94.2 139.01 22.36 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.066 0.546 . . . . 62.13 110.466 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -60.23 -37.33 83.75 Favored 'Trans proline' 0 C--N 1.383 2.347 0 C-N-CA 123.515 2.81 . . . . 70.32 112.987 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -68.18 -35.41 77.98 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.103 0.561 . . . . 74.13 110.504 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.3 m -63.3 -42.35 99.05 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.195 0.598 . . . . 54.34 111.219 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.449 HG12 ' HA ' ' A' ' 61' ' ' THR . 84.9 mt -58.22 -52.37 59.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.269 1.028 . . . . 74.25 111.135 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.76 -42.01 82.7 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 O-C-N 123.609 0.568 . . . . 61.24 111.144 -174.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 84.8 m -57.17 -45.15 83.91 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.41 0.684 . . . . 52.11 110.81 176.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 74' ' ' ILE . 43.2 tp -64.42 -53.25 51.34 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.434 -0.803 . . . . 72.23 110.076 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -55.44 -40.46 71.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.902 1.281 . . . . 74.14 111.693 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -69.63 -44.71 70.1 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.145 0.978 . . . . 74.25 111.103 178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.28 -46.8 93.71 Favored Glycine 0 CA--C 1.533 1.173 0 O-C-N 123.185 0.303 . . . . 34.04 112.644 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 70' ' ' LEU . 60.3 mt -60.56 -44.55 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.215 1.006 . . . . 75.14 109.681 175.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.404 ' HG3' ' HA2' ' A' ' 87' ' ' GLY . 8.5 tt0 -55.41 -61.6 2.23 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.408 1.083 . . . . 71.3 111.283 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -60.94 -36.43 79.33 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 123.884 0.74 . . . . 51.44 112.179 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -64.36 -50.49 67.51 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.618 0.367 . . . . 73.04 110.219 178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.545 ' HB3' HG21 ' A' ' 85' ' ' VAL . 86.7 mt -61.78 -39.64 92.4 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.45 0.7 . . . . 70.51 111.176 178.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 96.5 mt-30 -65.6 -34.45 78.26 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.799 0.84 . . . . 73.31 111.392 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.5 -30.72 71.48 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.88 0.872 . . . . 74.32 111.092 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -102.65 -27.02 12.98 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.295 0.638 . . . . 74.54 111.868 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.483 HG21 HG13 ' A' ' 19' ' ' VAL . 61.9 mt -135.89 114.29 10.95 Favored Pre-proline 0 N--CA 1.488 1.444 0 C-N-CA 123.958 0.903 . . . . 63.4 110.478 -168.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -76.81 -9.55 18.26 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.813 2.342 . . . . 73.13 113.469 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -72.38 -27.62 62.49 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.726 0.411 . . . . 72.03 111.06 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 78' ' ' LEU . 94.0 t -74.18 101.52 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 108.865 -0.791 . . . . 63.12 108.865 177.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -84.81 -24.07 28.84 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.901 -1.045 . . . . 62.53 110.15 174.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' HA2' ' HG3' ' A' ' 75' ' ' GLN . . . -178.55 -178.52 47.96 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 116.275 -0.42 . . . . 72.33 112.745 176.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' A' ' 52' ' ' VAL . 76.6 t -126.98 152.45 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.278 1.431 . . . . 74.32 108.029 174.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -143.73 147.7 34.6 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.071 0.548 . . . . 73.25 110.21 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -85.05 131.73 34.42 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.914 0.886 . . . . 64.24 110.396 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 4.7 m -132.62 143.66 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 106.741 -1.577 . . . . 53.14 106.741 164.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 73.9 mtm -129.34 124.5 34.45 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.05 0.54 . . . . 72.21 109.651 -176.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -83.58 68.63 9.88 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.671 0.748 . . . . 72.25 109.839 174.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -104.67 -71.93 0.72 Allowed 'General case' 0 C--O 1.24 0.586 0 N-CA-C 106.457 -1.682 . . . . 54.51 106.457 169.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 47.59 31.3 2.0 Allowed 'General case' 0 C--N 1.364 1.204 0 C-N-CA 125.643 1.577 . . . . 75.14 112.43 172.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.0 t -101.72 46.0 0.95 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.378 1.071 . . . . 53.23 109.564 -172.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 CA--C 1.552 1.033 0 CA-C-N 115.409 -0.814 . . . . 74.1 110.561 -179.984 . . . . . . . . 0 0 . 1 stop_ save_