data_6v88_residue ############################ # Computer software used # ############################ 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 6v88 _Structure_validation_residue.Date_analyzed 2020-04-10 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 58.2 mt . . . . . 0 CA--C 1.547 0.831 0 N-CA-C 110.353 -0.24 . . . . 75.51 110.353 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.4 m -79.14 128.07 38.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 121.434 0.635 . . . . 74.0 109.295 169.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.548 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 90.1 mttt -86.66 106.13 17.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.087 -0.96 . . . . 73.24 109.284 -173.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -109.05 95.73 5.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.611 -0.514 . . . . 72.12 109.611 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -70.88 138.17 49.96 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.385 -0.598 . . . . 73.14 109.385 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 p -82.15 -178.28 6.96 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.161 0.584 . . . . 73.41 110.697 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -63.68 -26.05 68.49 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.594 0.758 . . . . 53.24 111.05 170.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 32.5 t70 -89.82 12.66 16.55 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.352 1.061 . . . . 70.43 110.742 176.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 70.04 2.15 3.8 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.441 1.496 . . . . 74.51 113.735 170.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -72.9 122.31 21.43 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.706 0.402 . . . . 72.53 110.041 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.2 t -75.97 109.5 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 O-C-N 124.096 0.872 . . . . 74.53 109.541 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -103.32 91.55 4.12 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.73 0.812 . . . . 71.14 109.351 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.548 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 40.7 mt-10 -75.59 116.58 16.46 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.11 -0.95 . . . . 74.4 109.631 175.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 55' ' ' LEU . 18.3 tt -136.39 153.76 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 108.743 -0.836 . . . . 75.42 108.743 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.562 ' HB2' HG13 ' A' ' 20' ' ' ILE . 53.5 mt-10 -55.05 138.01 45.07 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.905 0.482 . . . . 70.33 111.023 -177.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -57.68 -39.76 77.87 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.97 0.908 . . . . 74.44 110.963 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.46 -28.0 69.37 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.081 0.952 . . . . 74.15 112.343 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.562 HG13 ' HB2' ' A' ' 17' ' ' GLU . 53.1 mt -76.47 -43.84 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 123.08 0.552 . . . . 74.34 110.131 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.68 -17.55 55.99 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.571 0.748 . . . . 64.2 112.785 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.8 m -71.06 -23.86 62.22 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.828 0.851 . . . . 75.23 112.498 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.7 mtm -68.72 -31.21 70.11 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.157 0.583 . . . . 64.45 110.66 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.0 t -74.41 114.49 12.86 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.062 -1.088 . . . . 75.24 108.062 169.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.44 -41.49 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.013 0.525 . . . . 73.22 110.538 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 m -63.61 -52.51 60.57 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.314 0.645 . . . . 74.24 111.846 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.472 HG13 HD22 ' A' ' 98' ' ' LEU . 75.3 mt -64.03 -42.28 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 122.602 0.361 . . . . 75.13 110.22 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 24.2 ttpp -55.76 -52.51 63.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.929 0.891 . . . . 75.43 110.924 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -60.06 -36.57 77.62 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.89 0.876 . . . . 75.34 111.288 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.0 mtt -63.0 -47.32 83.6 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.392 0.433 . . . . 74.31 110.499 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.4 mt -61.33 -33.86 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.74 0.816 . . . . 74.45 110.142 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 44.9 mt-10 -71.26 -45.04 64.09 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.333 0.653 . . . . 75.4 111.76 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.03 -42.34 80.75 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 122.782 0.433 . . . . 73.41 111.57 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -73.23 -29.88 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.888 0.875 . . . . 73.0 110.361 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.57 165.92 40.7 Favored Glycine 0 C--O 1.246 0.859 0 N-CA-C 110.503 -1.039 . . . . 61.23 110.503 -169.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.88 97.68 0.06 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.36 0.664 . . . . 72.53 109.915 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.0 m -127.89 136.44 51.39 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 124.014 0.926 . . . . 72.43 109.526 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -78.22 -4.73 49.21 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.672 0.389 . . . . 62.32 110.629 171.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.0 m -49.07 126.0 14.32 Favored Pre-proline 0 C--N 1.356 0.886 0 C-N-CA 124.955 1.302 . . . . 72.41 111.566 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 37.6 Cg_endo -63.11 129.28 25.23 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.691 2.26 . . . . 72.3 111.947 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.0 mm -105.56 102.75 39.66 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 109.204 -0.665 . . . . 75.33 109.204 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.85 146.43 47.85 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.355 2.037 . . . . 63.31 110.913 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.404 HD12 HD23 ' A' ' 98' ' ' LEU . 87.6 mt -118.37 92.95 44.42 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 107.93 -1.137 . . . . 74.02 107.93 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -81.45 63.28 8.56 Favored 'Trans proline' 0 C--N 1.382 2.315 0 C-N-CA 123.29 2.66 . . . . 72.33 112.567 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -160.61 -50.21 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.366 -0.834 . . . . 73.33 109.161 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.15 125.46 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.089 0 CA-C-N 115.473 -0.785 . . . . 65.35 110.41 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 p -79.3 174.84 11.16 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.907 0.883 . . . . 71.45 111.152 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.476 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 73.9 p -66.05 -47.25 74.97 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.466 0.543 . . . . 72.32 112.466 -172.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.8 p -60.74 -37.01 80.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.784 0.833 . . . . 75.2 111.512 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.619 HG21 HD21 ' A' ' 91' ' ' LEU . 43.9 mm -80.62 -46.74 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.755 -0.657 . . . . 71.53 110.147 -176.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.25 -28.72 69.92 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.723 0.809 . . . . 75.33 111.052 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -53.04 -54.07 40.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.45 1.1 . . . . 73.23 110.024 171.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -76.98 -32.79 57.49 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.372 -0.831 . . . . 73.31 111.939 -176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.463 HG11 HD13 ' A' ' 98' ' ' LEU . 51.4 t -60.44 -53.1 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 109.447 -0.575 . . . . 74.44 109.447 177.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.562 ' HB3' HD11 ' A' ' 16' ' ' ILE . 68.1 mt -74.57 -29.84 61.5 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.22 -0.9 . . . . 74.31 112.171 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.41 -34.06 65.29 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 118.214 0.461 . . . . 74.14 110.795 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -63.77 -42.0 97.86 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.506 -0.553 . . . . 73.5 109.506 170.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 91.3 m -66.56 -31.49 72.23 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 115.253 -0.885 . . . . 74.41 111.178 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 72.8 mtt180 -62.92 -50.52 70.52 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 109.355 -0.609 . . . . 75.11 109.355 171.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -57.92 -44.75 87.06 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.943 0.897 . . . . 73.41 111.314 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -67.5 -35.65 79.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.185 0.994 . . . . 75.23 111.026 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -82.58 -47.21 12.37 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.094 0.557 . . . . 73.23 111.804 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -77.69 -29.4 51.38 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.416 0.686 . . . . 72.41 111.198 -175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 107.752 -1.203 . . . . 74.35 107.752 175.22 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 108.747 -0.834 . . . . 75.4 108.747 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.94 147.51 30.64 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.539 2.159 . . . . 71.32 111.28 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.58 -50.44 13.81 Favored 'Trans proline' 0 C--N 1.385 2.472 0 C-N-CA 123.562 2.842 . . . . 73.22 113.109 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -54.54 -54.1 45.7 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.493 0.496 . . . . 72.34 111.326 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.97 -31.89 73.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.953 0.901 . . . . 61.35 111.48 -170.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -75.59 -45.38 37.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.322 -0.399 . . . . 71.11 110.709 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.69 -23.27 66.1 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.463 0.705 . . . . 74.34 111.769 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -67.4 -42.5 83.2 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.328 1.051 . . . . 75.53 109.857 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 65.8 m -76.59 -15.04 59.94 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.772 -1.104 . . . . 75.2 111.981 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -76.25 79.88 3.03 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.371 -0.603 . . . . 73.32 109.371 175.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.1 m -132.02 160.07 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.817 1.247 . . . . 75.42 108.55 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.08 156.07 40.04 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.176 -0.675 . . . . 71.43 109.176 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -59.48 -46.85 98.83 Favored Pre-proline 0 CA--C 1.567 1.625 0 CA-C-O 118.341 -0.838 . . . . 74.53 113.036 -171.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.65 -47.41 27.38 Favored 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 121.996 1.797 . . . . 74.14 113.381 169.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.2 m -61.62 -30.78 70.92 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.932 0.893 . . . . 72.02 111.64 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 tt -70.13 -43.94 69.94 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.28 1.032 . . . . 75.04 108.935 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.481 ' HE2' ' HE2' ' B' ' 89' ' ' PHE . 19.2 m-85 -63.37 -33.16 74.93 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.789 -0.641 . . . . 73.11 111.174 176.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.47 -36.87 85.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.683 0.793 . . . . 73.45 111.856 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.619 HD21 HG21 ' A' ' 50' ' ' ILE . 95.0 mt -67.14 -36.1 81.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.031 0.532 . . . . 73.4 110.539 175.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.36 -43.75 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.3 0.64 . . . . 75.44 109.898 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.27 -47.95 83.82 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.04 0.936 . . . . 70.11 111.131 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.95 -36.43 80.09 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.872 0.869 . . . . 53.45 111.876 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.35 -32.55 66.57 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.373 0.669 . . . . 74.01 111.559 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -78.73 -36.65 42.95 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.701 0.8 . . . . 71.24 110.261 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.92 -39.08 92.97 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.17 0.988 . . . . 75.21 110.827 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.472 HD22 HG13 ' A' ' 27' ' ' ILE . 76.8 mt -96.23 -8.16 33.68 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.297 0.639 . . . . 74.43 111.693 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t70 57.07 34.54 25.06 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.119 1.368 . . . . 74.3 111.527 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.0 mt -78.77 103.38 5.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.832 -1.173 . . . . 63.52 107.832 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -58.98 -49.62 92.36 Favored Pre-proline 0 CA--C 1.562 1.419 0 CA-C-O 117.906 -1.045 . . . . 74.54 112.723 -175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.91 -48.55 16.0 Favored 'Trans proline' 0 C--N 1.401 3.331 0 C-N-CA 121.836 1.69 . . . . 73.03 112.672 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.0 -47.08 84.64 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.838 0.455 . . . . 73.21 111.364 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.577 HD21 HD21 ' B' ' 104' ' ' LEU . 48.0 tp -63.18 -42.74 99.41 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.785 0.678 . . . . 74.11 110.511 -177.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.6 -48.76 65.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.798 -0.637 . . . . 54.44 110.535 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.21 -45.66 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.339 0.655 . . . . 73.42 111.185 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.7 m -67.79 -35.89 79.48 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 123.147 0.579 . . . . 75.11 111.425 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 75.1 m -72.69 -30.19 64.03 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.089 0.555 . . . . 73.03 110.961 175.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.8 -31.21 59.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.022 0.529 . . . . 74.21 110.584 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.9 m -57.81 -53.32 59.55 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.289 0.636 . . . . 75.32 110.643 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.9 m -65.01 -35.01 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 115.759 -0.655 . . . . 75.21 110.955 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.15 96.53 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.284 0.634 . . . . 71.44 111.539 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -70.29 -37.08 74.75 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.722 0.409 . . . . 75.13 110.866 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 71.0 mtm -70.17 -40.66 74.58 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 111.934 0.346 . . . . 73.41 111.934 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 30.7 pt -79.31 -27.09 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 122.549 0.34 . . . . 75.35 111.838 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -92.17 -18.38 23.58 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.179 0.591 . . . . 74.42 111.664 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 CA-C-O 119.109 -0.829 . . . . 72.22 111.306 -178.377 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.978 0.418 . . . . 63.44 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 mt -81.58 118.89 23.13 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.549 -0.75 . . . . 72.54 110.126 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 24.3 m -79.08 128.43 38.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 109.448 -0.575 . . . . 74.33 109.448 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.54 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 90.5 mttt -86.87 106.6 17.86 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.998 0.919 . . . . 71.12 109.095 -173.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.0 mt -109.52 95.38 5.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.953 0.501 . . . . 72.3 109.714 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -70.67 138.58 50.79 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.311 -0.625 . . . . 75.43 109.311 174.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.6 p -82.3 -177.88 6.82 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.343 0.657 . . . . 74.3 110.424 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.6 m -63.99 -27.42 69.11 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.569 0.748 . . . . 54.54 110.443 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . 0.47 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 34.3 t70 -88.97 15.08 9.12 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.137 0.975 . . . . 74.52 110.959 175.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 68.11 3.15 3.49 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.169 1.388 . . . . 74.53 113.802 169.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -74.2 122.95 23.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.069 0.547 . . . . 74.44 109.869 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 43.7 t -77.13 109.22 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 O-C-N 124.33 1.019 . . . . 65.23 109.646 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -102.86 91.06 3.99 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.58 0.752 . . . . 73.34 109.378 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.54 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 38.8 mt-10 -74.86 115.78 14.84 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.172 -0.922 . . . . 75.11 109.529 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.561 HD11 ' HB3' ' B' ' 55' ' ' LEU . 18.2 tt -135.65 153.29 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 123.658 0.783 . . . . 73.24 108.901 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.577 ' HB2' HG13 ' B' ' 20' ' ' ILE . 56.4 mt-10 -55.19 137.34 47.31 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.068 0.547 . . . . 74.42 110.992 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -57.77 -39.29 77.11 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.052 0.941 . . . . 73.45 110.951 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.28 -29.36 70.45 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.007 -0.997 . . . . 72.14 112.196 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.577 HG13 ' HB2' ' B' ' 17' ' ' GLU . 52.9 mt -75.3 -43.72 43.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 123.017 0.527 . . . . 75.34 110.172 175.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.83 -17.54 56.69 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.72 0.808 . . . . 62.34 112.696 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 66.1 m -71.14 -23.39 62.07 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.757 0.823 . . . . 73.21 112.465 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 53.7 mtm -69.15 -30.45 68.7 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 122.979 0.512 . . . . 71.34 110.732 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -75.2 114.38 13.64 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.086 -1.079 . . . . 74.01 108.086 169.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.97 -41.86 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 123.573 0.546 . . . . 75.04 110.477 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 54.9 m -63.18 -52.65 61.5 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.348 0.659 . . . . 70.35 112.037 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.476 HG13 HD22 ' B' ' 98' ' ' LEU . 75.5 mt -64.11 -42.17 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.648 0.379 . . . . 74.54 110.118 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' B' ' 32' ' ' GLU . 24.2 ttpp -55.83 -51.84 66.08 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.016 0.926 . . . . 74.14 110.738 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -60.53 -36.64 78.9 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.955 0.902 . . . . 71.22 111.291 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 66.9 mtt -63.36 -47.23 82.99 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.612 0.57 . . . . 72.22 110.372 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 79.7 mt -61.67 -33.84 59.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.651 0.781 . . . . 75.32 110.265 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 43.8 mt-10 -70.85 -45.87 63.72 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.197 0.599 . . . . 74.12 111.482 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.11 -44.54 84.04 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.98 0.512 . . . . 71.21 111.582 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -72.79 -28.7 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.99 0.916 . . . . 74.13 110.604 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.1 166.86 40.89 Favored Glycine 0 C--O 1.244 0.771 0 N-CA-C 110.742 -0.943 . . . . 74.23 110.742 -170.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.63 97.02 0.09 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.116 0.567 . . . . 75.22 109.563 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 36.4 m -127.28 137.73 52.91 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.101 -0.954 . . . . 71.41 109.221 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -80.38 -3.02 48.03 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.962 0.505 . . . . 75.12 110.296 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -50.27 126.16 20.81 Favored Pre-proline 0 C--N 1.358 0.949 0 C-N-CA 124.977 1.311 . . . . 52.01 111.609 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . 0.443 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 37.0 Cg_endo -63.3 127.91 21.28 Favored 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.749 2.299 . . . . 62.13 112.44 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 42.3 mm -104.34 103.1 37.15 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 109.334 -0.617 . . . . 75.51 109.334 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -72.53 144.68 40.73 Favored 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.382 2.055 . . . . 74.44 111.148 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.402 HD12 HD23 ' B' ' 98' ' ' LEU . 86.4 mt -116.77 92.42 38.15 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 108.012 -1.107 . . . . 73.4 108.012 178.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.39 61.22 8.01 Favored 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 123.379 2.719 . . . . 72.34 112.737 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -158.85 -48.91 0.06 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.84 0.856 . . . . 73.21 109.035 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.29 125.98 44.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 CA-C-N 115.957 -0.565 . . . . 73.33 110.218 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.2 p -79.56 174.64 11.37 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.732 0.813 . . . . 74.13 111.282 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 63.8 p -65.74 -47.89 73.74 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.042 0.537 . . . . 73.31 112.42 -171.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 47.2 p -60.43 -36.79 79.03 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.839 0.856 . . . . 65.44 111.588 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.616 HG21 HD21 ' B' ' 91' ' ' LEU . 43.5 mm -80.68 -46.99 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 115.667 -0.697 . . . . 74.15 110.169 -177.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.5 tp -64.25 -28.67 69.89 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.847 0.859 . . . . 73.21 111.023 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -52.89 -54.13 39.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.382 1.073 . . . . 73.33 110.049 171.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -77.02 -32.53 57.16 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.359 -0.837 . . . . 75.32 111.958 -176.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.454 HG11 HD13 ' B' ' 98' ' ' LEU . 51.2 t -60.7 -53.17 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 109.418 -0.586 . . . . 73.22 109.418 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.561 ' HB3' HD11 ' B' ' 16' ' ' ILE . 68.8 mt -74.54 -29.52 61.41 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.265 -0.88 . . . . 73.14 111.977 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.81 -34.34 64.56 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 118.145 0.43 . . . . 75.23 110.852 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -63.34 -41.86 98.89 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.452 -0.573 . . . . 75.02 109.452 170.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 88.9 m -66.89 -31.22 71.66 Favored 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 115.271 -0.877 . . . . 72.41 111.243 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 74.8 mtt180 -63.05 -50.7 69.62 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.182 0.593 . . . . 73.34 109.484 171.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -58.11 -44.6 87.8 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.195 -0.911 . . . . 54.13 111.241 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -67.64 -36.11 80.15 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.356 1.062 . . . . 73.22 111.083 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -81.97 -47.31 12.84 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.025 -0.534 . . . . 75.44 111.557 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -77.56 -28.05 51.68 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.479 0.712 . . . . 74.55 111.276 -175.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 107.721 -1.215 . . . . 74.1 107.721 174.943 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 CA--C 1.546 0.826 0 N-CA-C 108.375 -0.972 . . . . 75.23 108.375 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.06 148.87 28.06 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.526 2.151 . . . . 65.11 111.511 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -54.57 -49.86 15.37 Favored 'Trans proline' 0 C--N 1.385 2.475 0 C-N-CA 123.28 2.653 . . . . 72.32 113.161 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -54.97 -55.24 32.99 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.717 0.636 . . . . 74.52 111.323 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.09 -32.17 72.69 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.122 0.889 . . . . 70.45 111.622 -170.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -75.63 -45.2 38.71 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.361 -0.381 . . . . 70.2 110.526 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.46 -23.11 66.22 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.412 0.685 . . . . 73.24 111.66 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -67.45 -42.99 82.19 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.308 1.043 . . . . 74.13 109.852 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 65.3 m -76.06 -14.63 60.2 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 114.739 -1.119 . . . . 63.52 111.829 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -76.38 78.9 3.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.203 0.601 . . . . 75.12 109.981 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 19.5 m -132.43 159.37 43.18 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 C-N-CA 124.594 1.158 . . . . 72.44 108.527 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.78 156.15 39.88 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.968 -0.752 . . . . 72.04 108.968 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -60.16 -47.24 97.28 Favored Pre-proline 0 CA--C 1.568 1.648 0 N-CA-C 113.337 0.866 . . . . 73.32 113.337 -171.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -53.95 -45.89 37.7 Favored 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 122.076 1.851 . . . . 73.04 112.925 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.6 m -62.1 -31.23 71.66 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.099 0.96 . . . . 63.12 111.476 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.28 -43.54 70.24 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.327 1.051 . . . . 75.33 108.963 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.481 ' HE2' ' HE2' ' A' ' 89' ' ' PHE . 18.4 m-85 -63.43 -33.76 76.27 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.925 -0.579 . . . . 70.01 110.982 175.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.82 -36.54 84.65 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.548 0.739 . . . . 74.41 111.517 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.616 HD21 HG21 ' B' ' 50' ' ' ILE . 94.7 mt -66.79 -36.56 82.68 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.194 0.597 . . . . 73.41 110.688 174.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.09 -43.8 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.241 0.617 . . . . 72.12 109.983 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.69 -47.33 86.73 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.014 0.926 . . . . 73.33 110.954 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.38 79.51 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.978 0.911 . . . . 73.53 111.814 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.59 -33.08 66.49 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.336 0.654 . . . . 63.14 111.574 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -78.2 -36.05 47.82 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.781 0.833 . . . . 61.44 110.397 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -65.16 -39.67 93.28 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.107 0.963 . . . . 72.51 110.72 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.476 HD22 HG13 ' B' ' 27' ' ' ILE . 76.1 mt -95.76 -7.75 36.32 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.162 0.585 . . . . 74.3 111.751 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 24.0 t70 56.68 34.92 25.37 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 125.042 1.337 . . . . 73.14 111.418 175.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.8 mt -79.47 103.26 6.22 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 107.778 -1.193 . . . . 74.4 107.778 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -59.26 -49.31 93.42 Favored Pre-proline 0 CA--C 1.559 1.322 0 CA-C-O 117.966 -1.016 . . . . 74.54 112.612 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.95 -48.54 15.99 Favored 'Trans proline' 0 C--N 1.401 3.31 0 C-N-CA 121.868 1.712 . . . . 73.12 112.66 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.25 -47.29 83.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.896 0.478 . . . . 75.11 111.277 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.577 HD21 HD21 ' A' ' 104' ' ' LEU . 47.0 tp -62.96 -42.27 99.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.759 -0.655 . . . . 71.41 110.57 -177.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.83 -49.24 63.32 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.801 -0.636 . . . . 71.22 110.555 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 56.4 t -59.05 -45.64 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.309 0.643 . . . . 74.43 111.191 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 30.3 m -67.72 -35.89 79.6 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.05 0.54 . . . . 74.31 111.444 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 73.1 m -72.48 -30.72 64.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.95 0.5 . . . . 73.32 110.821 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -75.58 -30.89 59.77 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.034 0.534 . . . . 74.23 110.604 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 94.1 m -57.6 -53.41 58.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.234 0.614 . . . . 75.54 110.497 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 16.5 m -65.21 -35.44 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 115.569 -0.741 . . . . 73.02 111.108 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.34 96.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.522 0.729 . . . . 72.1 111.557 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -69.78 -37.81 76.48 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.78 0.432 . . . . 72.23 110.884 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.78 -40.95 75.72 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.378 0.424 . . . . 71.0 111.697 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.2 pt -78.5 -29.31 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 C-N-CA 122.717 0.407 . . . . 74.32 112.092 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 . . . . . 0 N--CA 1.481 1.085 0 C-N-CA 123.359 0.663 . . . . 74.55 111.552 178.345 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 110.435 -0.209 . . . . 73.43 110.435 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m -81.25 126.12 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 109.615 -0.513 . . . . 73.22 109.615 171.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.58 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 92.6 mttt -86.49 100.92 12.71 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.915 0.886 . . . . 74.0 109.232 -176.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.8 mt -110.14 98.53 7.77 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.835 0.854 . . . . 74.4 109.655 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.514 ' HB2' ' HA ' ' A' ' 42' ' ' PRO . 8.8 mp0 -75.5 150.6 38.15 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.011 0.434 . . . . 74.44 109.936 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.4 p -93.96 -178.69 4.73 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.315 -0.857 . . . . 65.24 110.682 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.6 t -63.5 -25.87 68.45 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.088 -0.96 . . . . 72.12 110.224 168.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.608 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 37.0 t70 -92.37 10.7 28.79 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.567 1.147 . . . . 74.3 110.74 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 74.03 -1.11 3.16 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 124.821 1.248 . . . . 53.4 113.048 166.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.509 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 92.5 mttt -70.44 123.98 23.08 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.871 -0.518 . . . . 73.14 110.681 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.9 t -75.14 107.2 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 124.396 1.078 . . . . 74.05 110.183 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -99.29 92.5 5.46 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.631 0.729 . . . . 75.12 110.026 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.58 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 32.9 mt-10 -82.61 94.5 7.54 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.572 -1.194 . . . . 71.32 109.349 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 55' ' ' LEU . 12.9 tt -111.49 155.32 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.56 0.744 . . . . 74.32 109.544 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -56.83 129.14 40.09 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.739 0.816 . . . . 75.15 109.481 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.03 -38.01 78.27 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.941 0.896 . . . . 73.2 111.794 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.32 -32.92 68.94 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.968 0.907 . . . . 73.5 112.016 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 59' ' ' ARG . 50.2 mt -80.72 -39.86 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.775 0.83 . . . . 64.32 110.296 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HB3' HG22 ' A' ' 27' ' ' ILE . . . -65.61 -20.89 66.49 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.318 0.647 . . . . 74.54 111.837 176.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -69.71 -23.89 63.49 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.421 0.688 . . . . 74.12 112.221 174.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.6 mtm -69.32 -31.65 70.26 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.716 0.293 . . . . 71.51 110.462 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -66.97 112.62 4.43 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.262 -1.014 . . . . 65.44 108.262 164.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 63.2 t -60.82 -33.86 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 O-C-N 123.706 0.629 . . . . 64.04 110.631 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.0 m -67.48 -51.24 53.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.053 0.541 . . . . 73.44 111.599 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.442 HG22 ' HB3' ' A' ' 21' ' ' ALA . 74.8 mt -65.5 -43.19 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 122.846 0.458 . . . . 73.05 109.997 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -57.66 -50.79 72.02 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.919 0.887 . . . . 75.35 110.749 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.26 -28.92 70.36 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.602 0.761 . . . . 73.21 111.594 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.1 mtt -68.49 -45.34 72.61 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.391 0.276 . . . . 63.01 110.666 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.0 -35.64 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 122.985 0.514 . . . . 72.13 110.237 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -77.35 -45.23 26.77 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 122.997 0.519 . . . . 71.52 112.212 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.02 -46.43 18.18 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.368 0.667 . . . . 71.32 111.875 -171.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -74.52 -34.96 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 121.472 0.653 . . . . 74.45 109.496 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.98 178.84 21.49 Favored Glycine 0 C--O 1.246 0.883 0 CA-C-N 115.113 -0.949 . . . . 73.54 111.44 -177.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.81 89.71 0.16 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.275 0.63 . . . . 75.11 109.824 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 m -94.08 115.0 27.26 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.209 -0.905 . . . . 74.25 109.474 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.38 -19.77 57.82 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.402 0.681 . . . . 64.44 110.623 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 m -65.25 144.02 98.92 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.54 0.736 . . . . 73.44 110.455 173.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -73.94 149.48 42.12 Favored 'Trans proline' 0 C--N 1.372 1.778 0 C-N-CA 122.579 2.186 . . . . 72.02 111.521 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.29 102.66 34.33 Favored Pre-proline 0 CA--C 1.553 1.068 0 N-CA-C 109.192 -0.67 . . . . 74.34 109.192 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.514 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 95.5 Cg_endo -84.66 111.17 1.46 Allowed 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.506 2.137 . . . . 75.15 112.371 174.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -87.08 101.79 2.53 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 123.819 0.848 . . . . 71.44 108.919 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -84.37 11.86 3.22 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 123.031 2.487 . . . . 74.2 113.352 -174.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -99.57 -57.44 2.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.647 0.779 . . . . 71.31 110.825 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.9 131.0 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 122.892 0.477 . . . . 64.54 110.641 -175.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.9 p -72.1 167.88 19.32 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.917 0.887 . . . . 71.53 111.819 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.608 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 72.3 p -68.5 -47.53 66.75 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.125 0.57 . . . . 74.3 112.355 -173.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.4 p -56.37 -47.28 79.2 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.249 0.968 . . . . 74.44 111.008 -178.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.481 HG21 HD21 ' A' ' 91' ' ' LEU . 47.1 mm -75.49 -43.47 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.073 -0.967 . . . . 74.3 110.766 -174.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.4 tp -62.1 -41.19 97.96 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.493 0.496 . . . . 74.13 110.788 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.58 -47.14 86.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.455 0.702 . . . . 72.22 110.455 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' HE2' HG11 ' A' ' 83' ' ' VAL . 29.7 mtpp -60.56 -51.64 68.56 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 114.67 -1.15 . . . . 73.53 111.198 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.2 t -66.32 -35.62 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 123.165 0.586 . . . . 75.35 111.208 -174.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.619 ' HB3' HD11 ' A' ' 16' ' ' ILE . 53.2 mt -70.5 -40.04 73.77 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.102 0.561 . . . . 74.12 111.167 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -73.34 -32.34 64.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.742 0.417 . . . . 74.53 110.278 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.493 ' HH ' HG23 ' A' ' 106' ' ' VAL . 42.8 t80 -60.92 -51.57 68.71 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.178 -0.675 . . . . 72.3 109.178 171.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.629 ' SG ' HD11 ' A' ' 100' ' ' ILE . 94.4 m -59.22 -31.57 69.17 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 114.877 -1.056 . . . . 55.3 111.032 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.525 ' HA ' HD12 ' A' ' 20' ' ' ILE . 14.2 ttp180 -61.51 -48.52 80.68 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 122.428 0.291 . . . . 75.05 110.638 174.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -63.02 -40.35 97.48 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.76 0.424 . . . . 70.33 111.091 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -70.57 -24.8 62.84 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.832 0.853 . . . . 74.0 111.485 -178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -80.57 -38.53 29.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.907 0.483 . . . . 73.25 110.033 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 13.0 mm100 -71.17 -30.34 66.32 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.773 0.671 . . . . 71.14 110.878 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 108.231 -1.026 . . . . 73.41 108.231 174.629 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 CA--C 1.561 1.404 0 N-CA-C 110.11 -0.33 . . . . 73.02 110.11 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.89 146.24 87.38 Favored 'Trans proline' 0 C--N 1.373 1.867 0 C-N-CA 122.786 2.324 . . . . 71.45 112.246 -173.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -46.05 -37.5 17.72 Favored 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 124.198 3.265 . . . . 71.15 114.834 -176.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -57.79 -56.46 21.71 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.565 0.541 . . . . 74.02 110.574 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.11 -27.01 62.35 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.472 1.109 . . . . 73.34 110.536 -171.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -68.61 -51.38 43.02 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.187 -0.915 . . . . 72.02 109.988 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -76.25 -22.91 54.59 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.448 0.699 . . . . 70.34 111.678 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.434 ' HE2' HD21 ' A' ' 103' ' ' LEU . 57.5 t80 -60.53 -48.53 81.38 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.877 0.871 . . . . 71.53 110.564 175.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 83.6 m -75.44 -11.12 59.97 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.851 -1.068 . . . . 75.21 111.657 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -77.75 83.24 4.11 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 109.212 -0.662 . . . . 74.5 109.212 172.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.485 HG11 ' HE2' ' A' ' 53' ' ' LYS . 17.2 m -131.74 173.56 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.446 1.098 . . . . 72.21 109.096 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.23 159.95 19.62 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.31 0.644 . . . . 72.24 109.678 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 59.7 tp60 -60.27 -49.9 88.44 Favored Pre-proline 0 CA--C 1.567 1.618 0 CA-C-O 118.444 -0.788 . . . . 75.4 112.616 -172.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 46.8 Cg_exo -60.65 -33.66 93.11 Favored 'Trans proline' 0 C--N 1.386 2.543 0 C-N-CA 121.837 1.691 . . . . 74.41 113.134 171.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 m -67.92 -30.34 69.64 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.789 0.835 . . . . 74.52 111.427 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.89 -47.43 82.79 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.642 0.777 . . . . 73.11 110.38 170.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -67.9 -30.16 69.44 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.298 -0.865 . . . . 74.44 111.237 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HB3' HG13 ' A' ' 50' ' ' ILE . 23.2 mm-40 -64.05 -40.74 96.96 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.123 0.569 . . . . 73.42 111.172 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 50' ' ' ILE . 95.4 mt -66.05 -35.85 81.65 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.292 0.637 . . . . 75.53 110.488 176.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.97 -40.93 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.827 0.851 . . . . 74.2 110.384 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.0 mt -64.43 -45.66 86.55 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.64 0.776 . . . . 75.12 110.608 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.42 77.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.787 0.835 . . . . 75.13 111.764 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.473 ' HB1' HD13 ' A' ' 103' ' ' LEU . . . -70.01 -37.64 75.72 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.202 0.601 . . . . 73.22 111.496 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.44 -35.54 68.32 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.395 0.678 . . . . 73.12 110.189 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -70.25 -39.7 74.86 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.975 0.91 . . . . 74.03 111.57 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.8 mt -99.0 -2.44 37.31 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.428 0.691 . . . . 75.52 111.636 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.404 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 23.3 t0 54.81 40.49 31.98 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.414 1.486 . . . . 73.32 111.758 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.629 HD11 ' SG ' ' A' ' 58' ' ' CYS . 38.1 mt -86.86 86.46 2.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 108.152 -1.055 . . . . 71.31 108.152 173.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -60.59 -38.82 60.99 Favored Pre-proline 0 CA--C 1.559 1.296 0 CA-C-N 114.645 -1.161 . . . . 74.44 112.324 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -47.49 -56.12 3.35 Favored 'Trans proline' 0 C--N 1.4 3.283 0 C-N-CA 122.55 2.166 . . . . 72.13 114.165 170.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.473 HD13 ' HB1' ' A' ' 95' ' ' ALA . 2.5 tm? -67.94 -41.55 82.37 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.513 0.508 . . . . 72.02 109.871 -176.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.9 tp -58.98 -44.43 91.58 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.078 0.862 . . . . 70.22 110.723 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.83 -43.57 75.26 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.724 0.809 . . . . 74.1 110.973 -175.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.493 HG23 ' HH ' ' A' ' 57' ' ' TYR . 78.4 t -69.99 -36.33 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 123.102 0.561 . . . . 72.33 111.283 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.2 m -70.13 -37.86 75.39 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 109.97 -0.382 . . . . 61.25 109.97 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.0 m -68.72 -30.13 68.71 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.437 0.695 . . . . 75.02 110.816 175.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.11 -48.31 62.87 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.484 -0.562 . . . . 74.24 109.484 174.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.7 m -58.33 -51.81 68.24 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.634 0.774 . . . . 73.32 111.574 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.563 ' HA ' ' HE1' ' A' ' 114' ' ' MET . 35.5 m -64.64 -33.79 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 123.448 0.468 . . . . 74.55 110.835 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.73 -39.04 84.3 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.553 0.533 . . . . 75.25 110.659 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -70.05 -26.21 63.91 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.963 0.505 . . . . 74.03 111.533 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.563 ' HE1' ' HA ' ' A' ' 111' ' ' VAL . 42.0 mtm -74.61 -49.33 22.02 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 110.025 -0.361 . . . . 73.41 110.025 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' B' ' 86' ' ' PRO . 16.6 pt -78.0 -30.44 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.174 0.59 . . . . 75.4 111.909 -174.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -88.89 -14.11 37.56 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.507 0.723 . . . . 74.04 110.721 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.278 0 CA-C-O 119.244 -0.754 . . . . 72.4 113.182 179.418 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.714 0.292 . . . . 74.13 111.011 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 82.3 mt -94.81 124.28 38.76 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.949 0.9 . . . . 75.3 110.474 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m -79.65 125.71 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 109.653 -0.499 . . . . 73.31 109.653 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.573 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 92.4 mttt -86.23 101.0 12.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.86 0.864 . . . . 73.13 109.111 -176.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.3 mt -110.11 98.53 7.78 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.738 0.815 . . . . 75.51 109.485 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.497 ' HB2' ' HA ' ' B' ' 42' ' ' PRO . 7.9 mp0 -75.5 149.72 38.36 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.0 0.429 . . . . 75.03 109.969 179.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.1 p -92.8 -179.0 5.01 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.43 -0.804 . . . . 74.55 110.746 175.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -61.65 -28.36 69.33 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.09 -0.959 . . . . 73.03 110.115 168.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . 0.598 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 35.5 t70 -91.33 10.28 28.06 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.462 1.105 . . . . 75.53 110.733 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 75.42 -1.26 3.07 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.896 1.278 . . . . 73.34 113.105 166.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.512 ' HD2' ' HB2' ' B' ' 48' ' ' SER . 93.4 mttt -70.5 124.22 23.68 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.852 -0.53 . . . . 74.23 110.575 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.04 109.33 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 124.059 0.944 . . . . 75.11 109.945 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -100.71 92.29 5.02 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.733 0.778 . . . . 71.2 110.009 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.573 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.9 mt-10 -82.53 93.32 7.26 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.43 -1.259 . . . . 74.53 109.602 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' B' ' 55' ' ' LEU . 12.4 tt -110.97 155.68 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.631 0.772 . . . . 72.02 109.442 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -57.44 129.03 40.0 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 123.722 0.809 . . . . 73.51 109.333 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.7 -37.76 76.81 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 124.257 0.973 . . . . 73.51 111.865 -174.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.75 -32.14 68.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.261 1.024 . . . . 74.22 112.074 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' B' ' 59' ' ' ARG . 50.0 mt -81.11 -39.73 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.858 0.863 . . . . 71.45 110.3 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.438 ' HB3' HG22 ' B' ' 27' ' ' ILE . . . -65.75 -21.07 66.49 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.722 -0.672 . . . . 75.05 111.909 176.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 73.3 m -69.74 -24.53 63.56 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.493 0.717 . . . . 72.14 111.931 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 15.1 mtm -68.46 -32.0 71.7 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 122.505 0.322 . . . . 71.04 110.523 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 69.7 m -67.15 112.23 4.34 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.111 -1.07 . . . . 73.42 108.111 165.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 67.6 t -60.49 -33.66 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 123.788 0.68 . . . . 72.43 110.53 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 94.3 m -67.75 -51.53 48.0 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.031 0.532 . . . . 74.45 111.685 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.438 HG22 ' HB3' ' B' ' 21' ' ' ALA . 75.2 mt -65.18 -42.73 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.918 0.487 . . . . 73.54 110.118 -178.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -58.08 -50.5 73.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.944 0.898 . . . . 74.33 110.713 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.75 -28.48 69.91 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.642 0.777 . . . . 74.22 111.651 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.1 mtt -68.84 -45.75 70.32 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.489 0.316 . . . . 72.1 110.641 174.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.32 -35.8 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 122.933 0.493 . . . . 73.15 110.442 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -77.1 -46.42 23.64 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.271 0.628 . . . . 73.45 111.944 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -78.31 -46.27 20.55 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.09 0.556 . . . . 71.11 111.729 -170.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -74.53 -34.71 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.334 0.654 . . . . 75.13 109.713 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.9 177.79 21.06 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-N 115.38 -0.827 . . . . 54.33 111.071 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -67.12 89.83 0.19 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.405 0.682 . . . . 74.01 109.499 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 27.1 m -93.66 114.17 26.43 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.214 -0.903 . . . . 75.51 109.648 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -76.55 -18.58 58.61 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.35 0.66 . . . . 74.04 110.609 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.5 m -66.89 144.36 98.5 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 123.634 0.774 . . . . 72.32 109.972 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.18 149.96 41.69 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.626 2.218 . . . . 71.33 111.644 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -104.55 102.74 35.88 Favored Pre-proline 0 CA--C 1.553 1.073 0 N-CA-C 109.132 -0.692 . . . . 73.13 109.132 -175.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . 0.497 ' HA ' ' HB2' ' B' ' 7' ' ' GLU . 94.0 Cg_endo -85.1 109.07 1.19 Allowed 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.478 2.119 . . . . 73.44 112.565 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -84.89 102.53 2.36 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 123.615 0.766 . . . . 73.03 109.026 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -84.9 11.52 3.35 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.93 2.42 . . . . 62.33 113.471 -174.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -98.72 -60.22 1.58 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.674 0.79 . . . . 73.51 110.675 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.27 131.04 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 122.821 0.448 . . . . 74.12 110.781 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 38.4 p -72.66 168.21 19.17 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.0 0.92 . . . . 72.22 111.858 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.598 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.7 p -69.46 -47.28 64.45 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.399 0.518 . . . . 73.54 112.399 -172.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 55.5 p -56.98 -46.54 82.15 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.097 0.873 . . . . 74.01 110.704 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.488 HG21 HD21 ' B' ' 91' ' ' LEU . 46.2 mm -75.62 -43.85 40.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.101 -0.954 . . . . 75.34 110.754 -174.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 38.5 tp -62.02 -41.33 97.98 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.548 0.53 . . . . 74.4 110.704 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.57 -46.84 88.17 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.591 0.756 . . . . 75.31 110.349 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.457 ' HE2' HG11 ' B' ' 83' ' ' VAL . 29.1 mtpp -60.86 -51.34 69.7 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.645 -1.161 . . . . 75.14 111.335 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.0 t -66.59 -35.52 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.19 0.596 . . . . 71.3 111.098 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.619 ' HB3' HD11 ' B' ' 16' ' ' ILE . 55.1 mt -70.21 -40.14 74.73 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.01 0.524 . . . . 74.44 111.393 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.75 -31.38 63.31 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.897 0.479 . . . . 71.33 110.486 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . 0.494 ' HH ' HG23 ' B' ' 106' ' ' VAL . 43.0 t80 -61.48 -52.11 65.89 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.136 -0.69 . . . . 75.3 109.136 170.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.641 ' SG ' HD11 ' B' ' 100' ' ' ILE . 89.5 m -58.74 -31.54 68.4 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 114.865 -1.061 . . . . 74.23 111.109 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.534 ' HA ' HD12 ' B' ' 20' ' ' ILE . 14.2 ttp180 -61.65 -48.48 80.65 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.444 0.298 . . . . 74.4 110.807 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -63.1 -40.3 97.24 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.678 0.391 . . . . 44.01 111.014 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -71.06 -24.97 62.44 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.816 0.846 . . . . 71.13 111.389 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -79.83 -39.12 31.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.74 0.416 . . . . 73.41 109.903 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 13.5 mm100 -70.38 -32.97 70.87 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.01 0.819 . . . . 74.43 110.519 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 108.307 -0.998 . . . . 72.22 108.307 174.771 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 CA--C 1.558 1.25 0 N-CA-C 110.231 -0.285 . . . . 65.41 110.231 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -58.24 146.05 90.54 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.717 2.278 . . . . 73.44 112.381 -173.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -47.37 -35.5 21.22 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 124.178 3.252 . . . . 64.22 114.661 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -58.59 -57.03 14.75 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.408 0.442 . . . . 74.13 110.508 174.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.97 -26.45 62.26 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.651 1.18 . . . . 72.34 110.506 -171.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -69.1 -52.05 32.36 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.186 -0.916 . . . . 63.11 109.723 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -75.21 -23.25 57.59 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.303 0.641 . . . . 74.43 111.618 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.441 ' HE2' HD21 ' B' ' 103' ' ' LEU . 58.4 t80 -60.27 -48.33 82.18 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.903 0.881 . . . . 74.21 110.698 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 86.3 m -75.82 -11.4 59.97 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.851 -1.068 . . . . 61.42 111.799 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -78.02 83.5 4.32 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 108.895 -0.78 . . . . 73.54 108.895 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.457 HG11 ' HE2' ' B' ' 53' ' ' LYS . 17.0 m -131.51 174.81 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.446 1.098 . . . . 72.54 109.138 176.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.3 159.29 24.21 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.349 0.66 . . . . 74.34 109.592 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.441 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 60.9 tp60 -60.0 -49.41 91.29 Favored Pre-proline 0 CA--C 1.566 1.58 0 CA-C-O 118.558 -0.734 . . . . 72.01 112.626 -172.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . 0.51 ' HA ' HD13 ' A' ' 115' ' ' ILE . 51.8 Cg_exo -60.3 -33.7 94.29 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 121.936 1.758 . . . . 73.12 113.698 171.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.4 m -68.07 -30.37 69.56 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.733 0.813 . . . . 74.32 111.427 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.404 HD11 HG11 ' B' ' 111' ' ' VAL . 67.3 mt -58.03 -47.61 82.56 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.526 0.73 . . . . 75.12 110.262 171.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -67.27 -29.89 69.62 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.178 -0.919 . . . . 71.43 111.544 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.44 ' HB3' HG13 ' B' ' 50' ' ' ILE . 16.3 mm-40 -63.84 -41.25 97.86 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.042 0.537 . . . . 73.42 111.209 174.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.488 HD21 HG21 ' B' ' 50' ' ' ILE . 95.0 mt -66.02 -35.78 81.49 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.832 -0.622 . . . . 74.35 110.216 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 81.2 mt -67.07 -40.97 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 123.723 0.809 . . . . 63.25 110.524 175.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.31 -46.19 84.65 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.612 0.765 . . . . 71.3 110.673 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.04 -35.42 78.24 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.71 0.804 . . . . 73.44 111.728 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.473 ' HB1' HD13 ' B' ' 103' ' ' LEU . . . -70.16 -37.32 75.17 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.231 0.613 . . . . 64.31 111.601 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.73 -35.95 67.65 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.496 0.719 . . . . 61.53 110.163 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -70.0 -39.83 75.65 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.021 0.928 . . . . 73.21 111.548 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 94.0 mt -98.87 -2.92 36.53 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.398 0.679 . . . . 74.23 111.523 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 22.8 t0 55.07 40.89 32.07 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.457 1.503 . . . . 75.53 111.742 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.641 HD11 ' SG ' ' B' ' 58' ' ' CYS . 37.5 mt -87.06 86.79 2.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.104 -1.073 . . . . 73.22 108.104 173.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -60.5 -38.77 60.93 Favored Pre-proline 0 CA--C 1.56 1.345 0 CA-C-N 114.581 -1.19 . . . . 71.32 112.447 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -47.34 -56.38 3.11 Favored 'Trans proline' 0 C--N 1.401 3.332 0 C-N-CA 122.655 2.236 . . . . 61.31 114.152 170.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.473 HD13 ' HB1' ' B' ' 95' ' ' ALA . 2.5 tm? -67.93 -41.58 82.34 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.036 -0.529 . . . . 73.22 109.781 -176.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 45.2 tp -58.89 -44.21 91.11 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.086 0.866 . . . . 73.12 110.744 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -69.16 -43.84 73.48 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.747 0.819 . . . . 71.13 110.808 -175.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.494 HG23 ' HH ' ' B' ' 57' ' ' TYR . 76.3 t -69.73 -36.01 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.053 0.541 . . . . 75.32 111.429 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.5 m -70.52 -37.83 74.17 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.67 0.388 . . . . 64.1 109.999 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.57 -30.16 68.87 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.436 0.694 . . . . 75.31 110.853 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.56 -47.92 62.04 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.603 -0.517 . . . . 74.14 109.603 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 89.9 m -58.36 -51.56 69.29 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.838 0.711 . . . . 74.33 111.728 -177.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.56 ' HA ' ' HE1' ' B' ' 114' ' ' MET . 35.1 m -64.77 -33.5 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 123.514 0.509 . . . . 74.13 110.942 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.33 86.57 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 123.646 0.591 . . . . 74.43 110.609 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -69.28 -25.7 64.38 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.266 0.626 . . . . 71.52 111.855 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.56 ' HE1' ' HA ' ' B' ' 111' ' ' VAL . 41.3 mtm -75.26 -48.77 21.73 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.53 0.332 . . . . 72.1 110.302 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 19.0 pt -77.87 -31.83 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 116.013 -0.54 . . . . 73.52 111.729 -174.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 . . . . . 0 N--CA 1.48 1.034 0 C-N-CA 123.41 0.684 . . . . 73.54 110.941 177.421 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 109.025 -0.732 . . . . 73.24 109.025 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 m -107.99 138.11 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.951 0.901 . . . . 74.41 108.947 172.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.561 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 58.4 mttp -93.84 118.48 31.5 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.998 0.919 . . . . 75.13 110.101 -175.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -118.11 103.42 9.86 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.542 -0.91 . . . . 73.23 108.542 174.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.523 ' HG3' HG21 ' A' ' 13' ' ' VAL . 3.1 mp0 -70.74 143.65 51.2 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.08 -0.711 . . . . 74.23 109.08 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.7 p -88.77 174.05 8.21 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.159 -0.682 . . . . 74.25 109.159 171.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -62.22 -23.36 66.6 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.431 0.693 . . . . 75.11 110.33 170.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 23.0 t70 -86.61 6.47 30.77 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 125.081 1.352 . . . . 74.05 111.35 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 73.03 5.74 5.21 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.102 1.361 . . . . 74.3 113.668 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -84.25 123.82 30.54 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.52 0.328 . . . . 73.34 110.163 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.523 HG21 ' HG3' ' A' ' 7' ' ' GLU . 59.4 t -81.7 116.84 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.321 1.048 . . . . 75.4 109.627 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -106.01 101.49 10.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.551 0.741 . . . . 75.51 110.167 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.561 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 35.8 mt-10 -90.13 93.89 9.56 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.146 -0.933 . . . . 73.12 109.39 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.658 HD13 ' HB3' ' A' ' 55' ' ' LEU . 8.4 tt -99.22 156.97 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.652 0.781 . . . . 74.12 109.044 177.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.92 132.56 54.34 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.477 0.711 . . . . 74.41 109.63 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -61.11 -32.61 72.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.506 1.122 . . . . 74.11 111.983 -172.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.07 -34.58 77.96 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.131 0.572 . . . . 74.4 111.641 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.489 HD11 ' HA ' ' A' ' 59' ' ' ARG . 33.6 mt -81.08 -29.93 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.444 0.698 . . . . 71.32 110.322 -177.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -20.71 65.65 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.464 0.706 . . . . 72.51 111.877 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.9 m -69.15 -23.34 63.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.793 0.837 . . . . 73.33 112.172 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.665 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 84.0 mtp -66.13 -33.85 76.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.187 0.595 . . . . 65.3 111.142 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.548 ' HA ' HG12 ' A' ' 100' ' ' ILE . 35.6 t -73.87 111.6 9.18 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.638 -1.245 . . . . 61.35 107.638 168.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.91 -43.64 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 123.727 0.642 . . . . 74.41 110.768 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.3 m -61.63 -52.08 65.85 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.278 0.631 . . . . 75.3 112.1 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.15 -45.1 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.877 0.471 . . . . 75.31 110.101 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -56.22 -53.31 58.66 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.163 0.985 . . . . 74.31 110.806 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.05 -38.62 83.35 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.949 0.78 . . . . 74.15 111.245 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.7 mtm -68.58 -39.61 80.9 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.509 0.505 . . . . 73.55 111.31 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.83 -41.74 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.632 -0.507 . . . . 74.21 109.632 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -72.07 -32.22 66.85 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.935 0.894 . . . . 72.04 111.656 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.94 -37.28 78.79 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.236 1.014 . . . . 73.13 110.32 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -80.36 -28.17 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 CA-C-N 115.24 -0.891 . . . . 70.53 109.964 174.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 -63.09 0.37 Allowed Glycine 0 C--N 1.343 0.935 0 N-CA-C 109.822 -1.311 . . . . 71.23 109.822 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -163.79 99.08 0.88 Allowed 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 107.543 -1.28 . . . . 74.23 107.543 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.1 t -79.64 103.67 9.71 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 122.77 0.428 . . . . 44.02 110.098 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -74.17 -27.77 60.98 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.593 0.757 . . . . 73.31 109.383 169.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.0 m -71.1 149.19 94.55 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-N 114.551 -1.204 . . . . 75.25 110.546 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.454 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 74.1 Cg_endo -70.76 144.81 49.68 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.657 2.238 . . . . 75.13 112.391 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.22 102.12 45.04 Favored Pre-proline 0 CA--C 1.55 0.971 0 N-CA-C 108.375 -0.972 . . . . 75.15 108.375 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.98 120.05 6.76 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.818 2.345 . . . . 74.3 111.161 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.491 HD13 HD23 ' A' ' 98' ' ' LEU . 67.5 mt -99.55 93.36 2.27 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 124.825 1.25 . . . . 75.24 109.141 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -83.83 -1.09 9.91 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.945 2.43 . . . . 64.2 114.373 -170.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -89.23 -40.11 13.07 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.016 0.436 . . . . 75.52 110.373 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.1 p -90.79 136.42 24.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 122.959 0.504 . . . . 73.23 110.269 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.9 p -81.54 166.26 20.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.631 0.772 . . . . 71.53 110.218 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.555 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 63.7 p -66.83 -44.13 81.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.088 0.555 . . . . 74.31 112.133 -171.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.6 m -57.38 -40.9 79.16 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 124.243 0.964 . . . . 64.22 110.958 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.594 HG22 HD23 ' A' ' 91' ' ' LEU . 49.6 mm -78.22 -44.12 27.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.262 -0.881 . . . . 75.42 110.778 -176.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.14 -37.03 85.97 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.977 -0.379 . . . . 73.31 109.977 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.32 -54.88 41.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.509 1.123 . . . . 74.42 111.325 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.81 -31.23 51.6 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.881 -1.054 . . . . 74.33 111.72 -170.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.12 -44.75 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.553 0.741 . . . . 75.24 110.082 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.658 ' HB3' HD13 ' A' ' 16' ' ' ILE . 66.2 mt -65.31 -36.39 83.9 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 123.515 0.51 . . . . 72.41 110.901 177.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -75.37 -32.15 60.73 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.158 0.583 . . . . 73.41 111.585 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.593 ' HH ' HG21 ' A' ' 106' ' ' VAL . 56.6 t80 -64.37 -48.23 76.27 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.037 -0.727 . . . . 73.33 109.037 173.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 80.9 m -60.51 -33.88 73.29 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 115.127 -0.942 . . . . 64.24 110.569 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.489 ' HA ' HD11 ' A' ' 20' ' ' ILE . 40.1 ttm105 -58.44 -52.44 65.62 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 123.191 0.596 . . . . 74.34 110.586 175.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -61.23 -41.55 97.07 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.695 0.622 . . . . 61.32 111.359 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.5 ' HB3' ' HE1' ' A' ' 23' ' ' MET . 57.9 t-80 -73.11 -22.87 60.47 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.23 0.612 . . . . 74.53 110.627 -176.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.665 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 39.9 t60 -76.9 -45.4 28.17 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.793 0.837 . . . . 73.11 110.084 176.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -69.4 -37.0 77.3 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.175 0.99 . . . . 75.23 110.501 -178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 123.83 0.852 . . . . 75.31 109.011 179.16 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.3 mm . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 109.614 -0.513 . . . . 74.15 109.614 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.44 153.52 35.17 Favored 'Trans proline' 0 C--N 1.381 2.275 0 C-N-CA 123.008 2.472 . . . . 75.52 111.319 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -59.73 -61.21 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.287 0 C-N-CA 122.851 2.367 . . . . 64.35 113.082 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -60.43 -42.17 95.52 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.383 0.673 . . . . 74.33 111.144 -177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -28.7 67.54 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.69 0.796 . . . . 71.51 111.296 -173.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -70.85 -45.19 64.92 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.988 0.515 . . . . 73.33 109.614 173.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -69.42 -23.52 63.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 115.56 -0.746 . . . . 74.21 111.308 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.1 -41.12 95.25 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.231 1.012 . . . . 74.43 110.25 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.2 m -70.21 -24.36 63.09 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.486 -0.779 . . . . 74.45 110.978 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -76.77 86.16 3.38 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 123.151 0.58 . . . . 75.14 109.712 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.1 m -132.49 162.95 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.883 0.873 . . . . 74.24 110.381 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -69.25 161.04 30.07 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.965 0.906 . . . . 74.33 109.069 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -57.91 -48.48 97.05 Favored Pre-proline 0 CA--C 1.572 1.798 0 CA-C-O 118.299 -0.857 . . . . 74.24 112.799 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.99 -40.0 22.23 Favored 'Trans proline' 0 C--N 1.397 3.123 0 C-N-CA 121.67 1.58 . . . . 75.13 111.917 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.4 m -63.21 -29.85 71.11 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.682 1.193 . . . . 73.53 111.513 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.49 -45.06 76.97 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.058 0.943 . . . . 72.34 109.471 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.431 ' HD2' HD12 ' B' ' 115' ' ' ILE . 22.1 m-85 -70.98 -30.07 66.23 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.559 -0.746 . . . . 72.53 110.94 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.545 ' HB3' HG13 ' A' ' 50' ' ' ILE . 21.0 mm-40 -60.62 -38.84 86.08 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.442 0.697 . . . . 74.44 110.871 171.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.594 HD23 HG22 ' A' ' 50' ' ' ILE . 82.7 mt -64.62 -38.43 90.99 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.273 0.629 . . . . 74.13 110.995 175.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.433 HG22 ' SG ' ' B' ' 108' ' ' CYS . 39.2 mt -67.23 -41.33 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.169 0.588 . . . . 75.1 110.191 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.88 -39.59 94.56 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.692 0.797 . . . . 74.33 110.837 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.98 -35.27 62.06 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.517 0.727 . . . . 74.22 111.634 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.511 ' HB1' HD13 ' A' ' 103' ' ' LEU . . . -72.3 -29.19 63.62 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.272 0.629 . . . . 75.32 111.245 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -75.95 -49.35 17.98 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.003 0.921 . . . . 74.52 109.621 172.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.407 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 65.7 t80 -60.15 -41.07 91.96 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.478 1.111 . . . . 70.23 112.212 -176.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.491 HD23 HD13 ' A' ' 43' ' ' LEU . 88.3 mt -94.83 -12.33 27.19 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.859 0.864 . . . . 75.44 111.148 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 50.32 73.91 0.25 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.215 1.406 . . . . 75.5 111.231 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.548 HG12 ' HA ' ' A' ' 24' ' ' SER . 34.4 mt -119.32 108.61 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 108.224 -1.028 . . . . 72.11 108.224 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -58.41 -48.22 97.36 Favored Pre-proline 0 CA--C 1.565 1.537 0 CA-C-O 117.847 -1.073 . . . . 75.42 112.816 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -55.29 -45.2 42.03 Favored 'Trans proline' 0 C--N 1.402 3.363 0 C-N-CA 122.257 1.971 . . . . 72.4 113.379 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.511 HD13 ' HB1' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -65.72 -52.71 49.05 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.276 0.63 . . . . 74.52 109.326 -176.384 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.41 ' O ' ' SG ' ' A' ' 108' ' ' CYS . 44.0 tp -60.34 -48.15 83.0 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 124.421 1.076 . . . . 74.22 110.803 -174.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.85 -50.81 69.45 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.243 0.964 . . . . 64.34 110.973 -175.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.593 HG21 ' HH ' ' A' ' 57' ' ' TYR . 42.0 t -58.14 -43.93 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 123.46 0.704 . . . . 73.22 111.075 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.3 m -71.82 -31.73 66.83 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 123.411 0.684 . . . . 73.53 111.473 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.463 ' SG ' HG22 ' B' ' 92' ' ' ILE . 71.1 m -73.22 -31.63 64.27 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.513 0.725 . . . . 71.32 110.316 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.77 -31.28 61.73 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.384 0.674 . . . . 75.12 110.239 175.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 48.2 m -60.51 -52.41 65.29 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.967 0.507 . . . . 75.42 110.729 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.573 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 31.1 m -63.88 -33.62 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 122.837 0.455 . . . . 74.35 111.488 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.83 78.74 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.251 0.62 . . . . 75.1 110.965 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -72.99 -31.71 64.68 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.474 0.71 . . . . 70.13 111.205 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.573 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 50.9 mtm -66.1 -39.4 89.95 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.316 0.385 . . . . 75.14 110.795 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.444 HD12 ' HD2' ' B' ' 89' ' ' PHE . 50.7 pt -89.26 -7.73 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 116.156 -0.474 . . . . 75.34 111.993 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -83.94 86.54 7.16 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.812 -0.44 . . . . 75.34 109.812 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 CA-C-O 119.413 -0.66 . . . . 64.34 111.974 178.269 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.3 p . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.766 0.317 . . . . 72.24 110.407 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.9 mt -104.0 141.2 36.59 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.73 0.812 . . . . 73.21 109.146 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.7 m -107.33 137.5 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.842 0.857 . . . . 75.32 109.194 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.553 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 58.3 mttp -93.48 118.24 31.08 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.963 0.905 . . . . 73.51 110.141 -175.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.97 103.72 10.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.434 -0.95 . . . . 74.53 108.434 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.499 ' HG3' HG21 ' B' ' 13' ' ' VAL . 3.1 mp0 -71.09 144.42 50.32 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.143 -0.688 . . . . 71.42 109.143 173.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.5 p -89.75 174.52 7.67 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.105 -0.702 . . . . 73.23 109.105 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -62.4 -23.49 66.86 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.687 -0.688 . . . . 75.12 110.296 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . 0.543 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 23.9 t70 -85.79 4.87 35.03 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 125.261 1.425 . . . . 72.23 111.455 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 72.32 8.74 5.83 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.943 1.297 . . . . 75.44 113.466 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.19 123.78 31.85 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 110.054 -0.35 . . . . 73.1 110.054 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.499 HG21 ' HG3' ' B' ' 7' ' ' GLU . 61.5 t -81.42 117.2 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.194 0.997 . . . . 74.3 109.845 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.89 100.97 10.44 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.521 0.728 . . . . 74.15 110.12 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.553 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.6 mt-10 -89.75 94.1 9.71 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.178 -0.919 . . . . 71.42 109.154 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.666 HD13 ' HB3' ' B' ' 55' ' ' LEU . 8.3 tt -99.22 157.16 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 N-CA-C 108.966 -0.753 . . . . 74.3 108.966 177.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.17 132.85 55.22 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.348 0.659 . . . . 72.22 109.724 176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.92 -33.42 73.12 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.403 1.081 . . . . 74.55 111.662 -171.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.79 -35.5 80.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.337 0.655 . . . . 64.33 111.439 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' B' ' 59' ' ' ARG . 33.0 mt -80.77 -29.79 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 123.185 0.594 . . . . 72.12 110.181 -177.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.18 -20.65 65.6 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.469 0.708 . . . . 72.0 111.865 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 56.3 m -69.09 -24.08 64.09 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.667 0.787 . . . . 72.11 112.047 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' MET . . . . . 0.665 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 85.3 mtp -65.49 -34.0 77.25 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.134 0.574 . . . . 74.33 111.256 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.555 ' HA ' HG12 ' B' ' 100' ' ' ILE . 35.3 t -73.57 112.07 9.31 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 107.556 -1.275 . . . . 75.44 107.556 168.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.48 -43.78 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.749 0.655 . . . . 61.34 110.717 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 92.9 m -61.43 -52.38 64.82 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.235 0.614 . . . . 72.55 111.986 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 70.2 mt -61.0 -44.96 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.826 0.45 . . . . 74.24 110.135 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -56.29 -53.23 59.66 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.077 0.951 . . . . 74.52 110.59 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -59.68 -38.92 82.86 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 124.035 0.834 . . . . 61.44 111.197 -176.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 73.3 mtm -68.6 -40.23 80.54 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 123.744 0.652 . . . . 74.14 111.291 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.16 -42.22 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 109.671 -0.492 . . . . 74.23 109.671 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -72.18 -31.86 66.31 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.074 0.95 . . . . 64.33 111.627 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.57 -36.51 76.35 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.296 1.038 . . . . 74.21 110.433 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -80.91 -27.85 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 CA-C-N 115.006 -0.997 . . . . 74.54 109.751 173.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.9 -63.83 0.34 Allowed Glycine 0 C--N 1.343 0.946 0 N-CA-C 109.942 -1.263 . . . . 75.13 109.942 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -162.98 97.38 0.93 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.494 1.117 . . . . 61.52 108.087 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 34.4 t -77.88 103.67 7.96 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.881 0.472 . . . . 74.41 110.561 -177.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -74.5 -26.52 60.05 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.629 0.771 . . . . 60.44 109.662 170.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.9 m -72.49 148.58 90.62 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 124.592 1.157 . . . . 70.02 110.628 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . 0.47 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 67.9 Cg_endo -69.99 144.11 51.78 Favored 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.775 2.317 . . . . 75.0 112.439 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mp -107.42 101.89 41.41 Favored Pre-proline 0 CA--C 1.552 1.037 0 N-CA-C 108.565 -0.902 . . . . 73.11 108.565 177.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.9 119.06 6.04 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.887 2.391 . . . . 73.22 111.268 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.494 HD13 HD23 ' B' ' 98' ' ' LEU . 69.3 mt -98.97 92.9 1.78 Allowed Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 124.732 1.213 . . . . 71.3 109.299 176.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -83.62 -1.27 10.07 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.947 2.431 . . . . 74.34 114.283 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -88.93 -39.21 13.92 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.505 0.322 . . . . 64.51 110.433 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 11.9 p -91.57 136.68 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.075 0.55 . . . . 65.44 110.371 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.0 p -81.46 166.01 20.72 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.472 0.709 . . . . 75.44 110.261 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.543 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.8 p -66.26 -44.06 84.7 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.016 0.526 . . . . 73.34 112.192 -172.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 35.5 m -56.55 -42.19 78.1 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.239 0.962 . . . . 75.4 111.105 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.596 HG22 HD23 ' B' ' 91' ' ' LEU . 49.7 mm -77.8 -43.94 28.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 114.968 -1.014 . . . . 75.03 110.74 -175.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 28.9 tp -64.42 -36.43 84.13 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 110.005 -0.369 . . . . 72.55 110.005 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.46 -54.37 47.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.285 1.034 . . . . 72.31 111.204 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -31.49 53.06 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.827 -1.079 . . . . 74.33 111.717 -170.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.28 -44.89 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.558 0.743 . . . . 64.43 110.174 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.666 ' HB3' HD13 ' B' ' 16' ' ' ILE . 69.7 mt -65.26 -36.31 83.73 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 122.879 0.472 . . . . 74.32 110.99 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -75.4 -32.26 60.71 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.042 0.537 . . . . 71.34 111.48 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . 0.599 ' HH ' HG21 ' B' ' 106' ' ' VAL . 55.0 t80 -64.07 -48.47 76.11 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 109.017 -0.734 . . . . 75.2 109.017 172.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 80.1 m -60.16 -33.94 72.88 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 115.058 -0.973 . . . . 74.44 110.632 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.487 ' HA ' HD11 ' B' ' 20' ' ' ILE . 40.5 ttm105 -58.38 -52.77 64.2 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 123.102 0.561 . . . . 74.03 110.65 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -61.5 -41.35 97.15 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.666 0.604 . . . . 75.4 111.259 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.486 ' HB3' ' HE1' ' B' ' 23' ' ' MET . 56.1 t-80 -72.64 -22.59 60.92 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.233 0.613 . . . . 74.23 110.835 -177.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . 0.665 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 42.4 t60 -77.74 -43.81 29.73 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.884 0.874 . . . . 74.11 110.087 176.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.68 -35.84 73.0 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.116 0.966 . . . . 65.34 110.796 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 C--O 1.24 0.582 0 C-N-CA 124.116 0.967 . . . . 72.4 108.938 178.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.7 mm . . . . . 0 CA--C 1.55 0.958 0 N-CA-C 109.732 -0.47 . . . . 75.53 109.732 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.19 154.44 37.01 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.063 2.509 . . . . 62.42 111.444 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -61.29 -60.31 0.24 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.931 2.421 . . . . 64.15 112.931 -172.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.17 -42.2 94.47 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.507 0.723 . . . . 74.52 111.446 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -29.3 67.97 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.005 0.922 . . . . 73.24 111.242 -173.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -70.36 -45.29 66.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.076 0.551 . . . . 71.23 109.92 173.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.5 -23.33 63.61 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.447 -0.797 . . . . 70.4 111.381 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -65.13 -41.34 94.91 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.046 0.938 . . . . 74.32 110.201 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 59.3 m -69.98 -24.47 63.32 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.338 -0.846 . . . . 75.21 110.94 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -76.8 87.38 3.4 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 109.53 -0.544 . . . . 73.3 109.53 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 10.4 m -132.4 165.46 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.987 0.915 . . . . 65.41 110.421 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -71.21 161.41 31.14 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.957 0.903 . . . . 64.13 108.996 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -57.72 -48.63 96.87 Favored Pre-proline 0 CA--C 1.569 1.678 0 CA-C-O 118.405 -0.807 . . . . 73.31 112.642 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.73 -39.5 20.28 Favored 'Trans proline' 0 C--N 1.397 3.096 0 C-N-CA 121.521 1.481 . . . . 75.44 112.056 173.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 15.3 m -63.32 -29.88 71.11 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.667 1.187 . . . . 74.32 111.487 -177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tt -67.58 -45.0 76.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.129 0.972 . . . . 72.32 109.464 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.444 ' HD2' HD12 ' A' ' 115' ' ' ILE . 22.0 m-85 -70.95 -29.97 66.13 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.56 -0.745 . . . . 74.42 111.152 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.544 ' HB3' HG13 ' B' ' 50' ' ' ILE . 20.2 mm-40 -60.43 -39.08 86.2 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.597 0.759 . . . . 72.21 111.153 171.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.596 HD23 HG22 ' B' ' 50' ' ' ILE . 83.2 mt -64.54 -38.64 91.71 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.116 0.567 . . . . 73.23 110.931 175.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.463 HG22 ' SG ' ' A' ' 108' ' ' CYS . 39.7 mt -66.9 -41.16 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.167 0.587 . . . . 74.13 110.273 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.11 -39.46 94.09 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.62 0.768 . . . . 74.04 110.944 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.08 -35.48 61.8 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.555 0.742 . . . . 75.1 111.483 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' B' ' 103' ' ' LEU . . . -71.93 -29.25 64.09 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.344 0.658 . . . . 44.22 111.289 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -76.65 -48.16 19.9 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.12 0.968 . . . . 75.21 110.019 173.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -60.62 -41.67 95.32 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.477 1.111 . . . . 75.22 111.907 -176.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.494 HD23 HD13 ' B' ' 43' ' ' LEU . 88.6 mt -94.39 -12.65 27.47 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.651 0.78 . . . . 75.44 111.09 -178.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 33.5 t70 50.14 74.98 0.19 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.261 1.424 . . . . 71.34 111.179 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.555 HG12 ' HA ' ' B' ' 24' ' ' SER . 34.0 mt -120.11 108.17 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 108.063 -1.088 . . . . 75.1 108.063 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.01 -48.45 97.07 Favored Pre-proline 0 CA--C 1.566 1.577 0 CA-C-O 117.851 -1.071 . . . . 71.24 112.782 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -55.22 -44.84 45.25 Favored 'Trans proline' 0 C--N 1.401 3.29 0 C-N-CA 122.38 2.053 . . . . 75.3 113.519 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.498 HD13 ' HB1' ' B' ' 95' ' ' ALA . 0.3 OUTLIER -66.14 -52.26 50.03 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.306 0.642 . . . . 75.43 109.409 -176.545 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.407 ' O ' ' SG ' ' B' ' 108' ' ' CYS . 42.5 tp -60.58 -48.89 79.79 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.32 1.048 . . . . 75.14 110.81 -174.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.1 -50.68 70.97 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.355 1.034 . . . . 71.02 111.016 -175.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.599 HG21 ' HH ' ' B' ' 57' ' ' TYR . 42.6 t -58.21 -43.9 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.591 0.756 . . . . 73.24 111.247 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.8 m -71.99 -31.5 66.3 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.514 0.726 . . . . 73.22 111.451 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.433 ' SG ' HG22 ' A' ' 92' ' ' ILE . 71.3 m -73.46 -31.49 63.81 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.58 0.752 . . . . 71.25 110.314 176.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.13 -31.57 61.14 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.439 0.696 . . . . 75.35 110.136 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 51.2 m -60.06 -52.28 66.04 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.897 0.479 . . . . 72.24 110.867 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.538 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 31.6 m -64.12 -33.71 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.83 0.452 . . . . 74.23 111.435 178.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.33 77.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.264 0.626 . . . . 65.23 110.87 177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.91 -32.11 65.1 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.605 0.762 . . . . 73.13 111.361 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.538 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 46.9 mtm -66.01 -39.66 90.44 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.563 0.539 . . . . 73.31 110.67 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . 0.431 HD12 ' HD2' ' A' ' 89' ' ' PHE . 48.5 pt -88.92 -8.2 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 116.077 -0.51 . . . . 74.42 111.977 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.697 -0.483 . . . . 73.43 109.697 -177.843 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 110.335 -0.246 . . . . 75.14 110.335 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 m -85.29 120.91 36.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 108.877 -0.786 . . . . 72.52 108.877 170.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.54 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 91.1 mttt -84.24 121.67 27.8 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.991 -1.004 . . . . 75.22 108.861 -176.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.9 mt -118.86 104.01 10.15 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.982 0.513 . . . . 72.55 109.74 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 42' ' ' PRO . 3.0 mp0 -72.74 143.97 47.79 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.136 -0.69 . . . . 75.24 109.136 169.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.4 p -92.15 -177.16 4.59 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 115.277 -0.874 . . . . 72.01 110.112 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.9 p -66.77 -26.08 66.8 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.087 0.555 . . . . 74.3 110.049 168.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -83.26 -4.47 58.46 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.606 1.162 . . . . 71.12 110.808 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 75.27 -1.16 3.12 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 125.816 1.646 . . . . 75.3 114.054 172.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -72.54 132.92 44.44 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.464 0.575 . . . . 75.33 109.68 173.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -84.33 138.81 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.648 1.179 . . . . 75.31 110.395 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -130.33 101.46 5.77 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.803 0.841 . . . . 74.25 109.258 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.54 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 29.7 mt-10 -86.48 87.09 7.37 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.029 -0.987 . . . . 74.24 109.391 -175.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.7 tt -99.29 152.25 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.514 0.725 . . . . 71.32 109.483 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HB3' ' OE2' ' A' ' 19' ' ' GLU . 34.0 mp0 -60.19 135.35 57.7 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.856 0.863 . . . . 74.05 109.945 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.34 -43.22 95.31 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.262 0.625 . . . . 74.41 111.574 -173.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.413 ' OE2' ' HB3' ' A' ' 17' ' ' GLU . 2.8 pm0 -57.11 -30.01 64.02 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.873 0.869 . . . . 74.45 112.211 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 59' ' ' ARG . 36.8 mt -77.43 -42.02 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.466 0.706 . . . . 74.44 109.79 176.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.79 -2.39 17.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.992 0.917 . . . . 73.31 112.59 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.2 m -74.09 -23.45 59.33 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.503 0.721 . . . . 71.4 111.979 175.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.2 mtm -69.48 -25.01 63.86 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 120.719 0.295 . . . . 72.2 110.765 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 t -74.54 99.1 3.51 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.633 -1.247 . . . . 75.14 107.633 166.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.1 -35.32 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 123.57 0.544 . . . . 74.13 110.804 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.7 m -60.95 -53.17 60.51 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.369 0.668 . . . . 75.44 111.615 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.6 mt -66.6 -39.44 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 123.287 0.635 . . . . 75.45 109.985 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -57.37 -49.49 76.0 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.062 0.945 . . . . 74.44 110.593 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -64.58 -36.13 83.25 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.484 0.714 . . . . 74.31 111.113 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.97 -42.95 97.11 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.311 0.645 . . . . 74.54 110.92 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.49 -47.39 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 115.679 -0.692 . . . . 71.31 110.357 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.82 -37.31 81.57 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.25 1.02 . . . . 65.34 111.506 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.47 -45.07 92.69 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.211 1.004 . . . . 62.13 110.904 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.583 HD13 ' HG ' ' A' ' 37' ' ' SER . 62.9 mt -88.97 -11.85 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 114.843 -1.071 . . . . 63.12 110.744 -177.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.15 -76.53 0.45 Allowed Glycine 0 C--N 1.344 1.028 0 N-CA-C 109.92 -1.272 . . . . 35.53 109.92 -173.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -143.19 103.15 4.1 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.47 1.108 . . . . 74.43 108.837 171.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.583 ' HG ' HD13 ' A' ' 34' ' ' ILE . 49.2 m -68.2 101.87 1.25 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.892 0.877 . . . . 64.42 111.011 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -83.9 -32.08 25.33 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.647 0.779 . . . . 72.11 110.473 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.5 p -72.57 139.96 81.37 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.421 -0.809 . . . . 70.42 109.776 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.5 142.68 89.49 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.795 2.33 . . . . 74.41 113.124 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.41 105.94 36.26 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 108.616 -0.883 . . . . 73.21 108.616 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.426 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.1 Cg_exo -76.83 126.68 8.96 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.109 2.539 . . . . 74.31 110.969 174.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.7 mt -112.16 94.17 24.88 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 124.112 0.965 . . . . 73.44 110.274 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -83.09 69.57 7.03 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 123.269 2.646 . . . . 75.44 112.527 -177.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -166.75 -66.58 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.329 -0.85 . . . . 65.32 108.819 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.53 124.38 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.485 -0.779 . . . . 73.52 110.596 -176.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.1 p -71.29 167.46 19.41 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.512 0.725 . . . . 74.21 110.727 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.3 p -66.55 -38.68 87.63 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.006 0.522 . . . . 75.24 111.56 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.3 m -63.78 -47.58 80.38 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.623 0.769 . . . . 75.3 110.804 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.565 HG21 HD21 ' A' ' 91' ' ' LEU . 48.4 mm -71.33 -46.05 66.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 115.313 -0.858 . . . . 73.54 110.431 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.7 tp -59.73 -38.07 80.7 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.68 0.792 . . . . 74.23 110.604 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -58.58 -51.02 71.66 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.973 0.796 . . . . 75.14 110.078 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -65.52 -47.72 74.96 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 124.083 0.864 . . . . 73.35 112.056 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.6 t -61.39 -46.7 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.665 0.786 . . . . 73.53 110.54 -176.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.615 ' HB3' HD12 ' A' ' 16' ' ' ILE . 78.0 mt -65.8 -44.39 85.84 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.917 0.487 . . . . 74.11 110.946 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.45 -37.62 84.24 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.151 0.98 . . . . 72.21 111.079 -176.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.448 ' CD1' HD21 ' A' ' 103' ' ' LEU . 57.9 t80 -66.54 -46.36 76.39 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.589 -0.732 . . . . 73.45 109.932 174.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.56 ' SG ' HG21 ' A' ' 100' ' ' ILE . 93.1 m -60.33 -31.93 70.76 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.703 -0.68 . . . . 64.41 111.396 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' A' ' 20' ' ' ILE . 37.7 mtp180 -61.27 -44.16 97.69 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.784 -0.45 . . . . 75.41 109.784 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.79 -41.56 91.8 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.628 -0.715 . . . . 74.53 110.996 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -71.53 -20.55 62.03 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.146 0.578 . . . . 74.0 111.405 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.427 ' CG ' HG12 ' A' ' 20' ' ' ILE . 77.3 t60 -78.39 -41.09 34.17 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.989 -0.375 . . . . 72.42 109.989 174.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 12.3 mm100 -70.43 -27.76 64.52 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.715 -0.675 . . . . 73.44 110.317 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 CA--C 1.546 0.814 0 C-N-CA 124.036 0.934 . . . . 64.33 108.755 174.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.428 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 39.9 mm . . . . . 0 CA--C 1.555 1.147 0 CA-C-O 119.809 -0.138 . . . . 74.45 110.629 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 73' ' ' ILE . 9.6 Cg_endo -52.46 140.73 53.39 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.096 2.531 . . . . 70.22 112.663 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -49.85 -35.84 41.1 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 123.688 2.926 . . . . 75.21 114.809 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -58.28 -49.56 76.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.75 0.42 . . . . 74.22 111.37 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.71 -30.97 68.72 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.952 0.901 . . . . 74.2 111.192 -172.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -72.51 -50.18 27.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.192 0.997 . . . . 73.12 110.4 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.435 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 12.4 m-20 -77.64 -14.26 59.68 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.289 1.435 . . . . 71.05 112.481 -176.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.45 ' CE2' HD23 ' A' ' 103' ' ' LEU . 71.3 t80 -52.93 -35.94 59.14 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.31 0.644 . . . . 72.22 110.49 171.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.2 m -68.63 -18.16 64.25 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.776 1.23 . . . . 70.41 112.367 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 34.9 mmtp -74.61 79.99 1.99 Allowed 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.485 0.66 . . . . 75.02 110.253 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -138.84 162.68 28.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 C-N-CA 124.776 1.23 . . . . 73.31 108.751 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -64.28 157.7 25.31 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.719 0.808 . . . . 75.54 110.157 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -54.28 51.93 Favored Pre-proline 0 CA--C 1.571 1.767 0 C-N-CA 123.864 0.866 . . . . 72.4 112.004 -169.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.408 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 57.9 Cg_endo -69.19 -31.63 22.63 Favored 'Trans proline' 0 C--N 1.393 2.869 0 CA-C-N 121.1 1.429 . . . . 72.5 112.379 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.5 m -62.46 -31.07 71.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.449 1.1 . . . . 75.05 111.512 -178.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.55 -41.09 89.19 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.922 0.889 . . . . 63.02 109.688 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -72.45 -29.01 63.29 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.891 -0.595 . . . . 73.4 111.43 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 15.1 mm-40 -61.67 -36.49 81.02 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.662 0.385 . . . . 64.45 110.529 172.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.565 HD21 HG21 ' A' ' 50' ' ' ILE . 97.5 mt -65.36 -37.4 86.91 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.577 0.751 . . . . 72.15 111.153 174.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.3 mt -68.77 -43.91 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 123.301 0.64 . . . . 74.44 110.475 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.24 -38.21 90.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.567 0.747 . . . . 72.31 110.621 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.61 -41.73 68.55 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.638 0.775 . . . . 72.12 111.228 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.14 83.33 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.458 0.703 . . . . 53.44 111.277 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -78.62 -37.3 42.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.033 0.833 . . . . 74.21 110.458 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.4 -34.73 78.38 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.63 0.772 . . . . 72.54 111.121 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.7 mt -97.36 -13.3 21.96 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.68 0.792 . . . . 70.41 111.264 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 59.3 33.55 22.57 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.473 1.109 . . . . 74.43 111.768 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.56 HG21 ' SG ' ' A' ' 58' ' ' CYS . 31.6 mt -75.31 93.6 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.624 -0.88 . . . . 74.24 108.624 174.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -54.2 -49.96 87.31 Favored Pre-proline 0 CA--C 1.572 1.8 0 C-N-CA 124.345 1.058 . . . . 73.31 111.86 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.9 -50.91 10.13 Favored 'Trans proline' 0 C--N 1.399 3.193 0 C-N-CA 121.629 1.553 . . . . 63.11 113.323 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.45 HD23 ' CE2' ' A' ' 80' ' ' PHE . 2.3 tm? -68.13 -39.4 82.72 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.763 0.425 . . . . 73.22 110.263 -176.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.49 HD23 HD23 ' B' ' 104' ' ' LEU . 61.8 tp -57.83 -46.63 84.44 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.769 0.828 . . . . 74.41 110.572 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 109' ' ' LYS . 19.1 t70 -66.75 -51.69 52.99 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 124.218 0.948 . . . . 74.53 110.381 -174.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.3 t -55.99 -46.87 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 124.01 0.819 . . . . 73.42 111.307 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -70.96 -34.73 71.72 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.412 0.685 . . . . 75.2 111.954 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 91.6 m -72.28 -37.24 69.08 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.971 0.509 . . . . 72.14 110.694 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 105' ' ' ASP . 33.0 mmtp -68.37 -33.34 74.1 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.274 0.63 . . . . 73.44 109.786 177.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.0 m -58.62 -47.78 83.23 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 123.337 0.655 . . . . 74.34 111.11 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.51 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 15.5 t -64.81 -41.82 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 O-C-N 123.399 0.437 . . . . 62.31 110.312 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.84 73.0 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.953 -1.021 . . . . 74.35 111.319 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -81.07 -24.57 37.69 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.299 1.04 . . . . 70.12 111.818 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.51 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 47.0 mtm -71.85 -50.28 30.9 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.483 -0.562 . . . . 74.51 109.483 176.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.4 pt -77.48 -30.7 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 115.679 -0.691 . . . . 72.22 110.874 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 55.69 64.31 1.78 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.658 1.183 . . . . 72.31 110.6 -172.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.311 0 CA-C-N 114.395 -1.275 . . . . 61.22 112.653 -178.241 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.53 0.205 . . . . 62.43 110.744 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 91.5 mt -82.36 117.6 22.55 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.134 0.574 . . . . 74.44 110.279 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -84.47 121.63 36.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.975 -0.75 . . . . 73.01 108.975 169.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.55 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 91.0 mttt -85.02 122.3 29.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.969 -1.014 . . . . 75.12 108.714 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.5 mt -119.59 103.99 9.9 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.072 0.549 . . . . 75.13 109.765 -175.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' B' ' 42' ' ' PRO . 4.4 mp0 -72.37 142.9 48.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.016 -0.735 . . . . 75.53 109.016 169.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 28.3 p -91.38 -177.37 4.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.287 -0.869 . . . . 74.55 110.128 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 59.4 p -67.19 -23.57 65.77 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.213 0.605 . . . . 70.23 110.252 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -85.75 -4.06 59.06 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.434 1.093 . . . . 72.13 110.864 175.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 75.09 -0.62 3.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.762 1.625 . . . . 74.33 114.133 172.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -73.36 132.77 43.42 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.517 -0.549 . . . . 71.14 109.517 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 43.6 t -83.93 140.11 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.836 1.254 . . . . 75.13 110.25 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -131.28 101.55 5.61 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.714 0.806 . . . . 70.52 109.1 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.55 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 27.3 mt-10 -86.09 86.44 7.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.044 0.937 . . . . 75.24 109.502 -176.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.62 HD12 ' HB3' ' B' ' 55' ' ' LEU . 12.8 tt -98.37 152.37 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.482 0.713 . . . . 64.1 109.559 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 -60.48 135.71 57.83 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.812 0.845 . . . . 74.23 109.896 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.21 -44.94 90.38 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.257 0.623 . . . . 75.32 111.506 -173.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -55.54 -30.98 61.71 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.175 0.99 . . . . 61.15 111.976 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' B' ' 59' ' ' ARG . 36.9 mt -76.96 -41.92 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 C-N-CA 123.223 0.609 . . . . 74.34 109.893 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.25 -2.83 17.41 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.897 0.879 . . . . 62.42 112.541 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.0 m -72.96 -23.77 60.71 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.295 0.638 . . . . 61.01 112.059 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 70.6 mtm -68.93 -25.44 64.57 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 118.043 0.383 . . . . 75.41 110.826 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.7 t -74.36 99.91 3.63 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.745 -1.206 . . . . 73.51 107.745 166.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.38 -35.45 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.091 0.557 . . . . 73.43 110.814 -175.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.6 m -60.99 -53.15 60.83 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.396 0.679 . . . . 75.14 111.668 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.56 -39.55 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.14 0.576 . . . . 70.43 109.972 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -57.33 -49.64 75.49 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.104 0.962 . . . . 72.15 110.675 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -64.24 -35.54 81.14 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.506 0.723 . . . . 75.12 111.178 -178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 67.0 mtt -64.74 -43.11 94.4 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 123.695 0.622 . . . . 74.21 110.762 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.79 -46.47 82.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.589 -0.732 . . . . 75.22 110.19 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.29 -38.17 85.84 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.945 0.898 . . . . 75.12 111.354 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.89 -44.89 91.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.443 1.097 . . . . 71.43 110.94 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.605 HD13 ' HG ' ' B' ' 37' ' ' SER . 60.3 mt -89.49 -9.93 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 124.434 1.094 . . . . 64.22 110.674 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.15 -75.63 0.67 Allowed Glycine 0 C--N 1.344 0.992 0 N-CA-C 110.016 -1.234 . . . . 73.52 110.016 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -143.35 103.02 4.06 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.986 0.914 . . . . 73.4 108.904 171.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.605 ' HG ' HD13 ' B' ' 34' ' ' ILE . 43.2 m -68.14 102.03 1.27 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.768 0.827 . . . . 71.41 110.644 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -83.13 -33.43 26.28 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.411 0.684 . . . . 73.32 110.108 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.1 p -71.12 141.05 85.98 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 123.417 0.687 . . . . 74.11 110.01 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.92 140.45 92.08 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.728 2.285 . . . . 62.32 113.271 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.14 105.95 28.07 Favored Pre-proline 0 CA--C 1.554 1.099 0 N-CA-C 108.699 -0.852 . . . . 74.22 108.699 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . 0.438 ' HA ' ' HB2' ' B' ' 7' ' ' GLU . 3.0 Cg_exo -77.24 126.54 8.57 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.956 2.437 . . . . 72.32 110.927 174.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.407 HD13 HD23 ' B' ' 98' ' ' LEU . 79.8 mt -111.95 95.06 27.47 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.18 0.992 . . . . 75.23 110.244 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -83.78 70.93 6.04 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 123.195 2.596 . . . . 74.13 112.256 -177.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -167.89 -66.43 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.364 -0.834 . . . . 72.42 109.061 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.09 124.68 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 115.205 -0.907 . . . . 73.1 110.59 -176.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 78.0 p -71.87 167.68 19.5 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.526 0.731 . . . . 72.5 110.688 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.7 p -67.65 -37.7 82.79 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.829 0.452 . . . . 75.14 111.313 -176.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 19.3 m -62.58 -48.83 77.73 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.922 0.763 . . . . 75.05 110.662 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.603 HG21 HD21 ' B' ' 91' ' ' LEU . 48.2 mm -71.7 -45.39 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 115.275 -0.875 . . . . 74.22 110.414 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 37.8 tp -60.37 -37.89 82.18 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.673 0.789 . . . . 72.21 110.613 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.7 -50.9 72.2 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 123.985 0.803 . . . . 74.03 110.049 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -65.43 -47.92 74.55 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 124.317 1.01 . . . . 72.3 111.82 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.72 -46.82 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.72 0.808 . . . . 72.43 110.498 -175.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.62 ' HB3' HD12 ' B' ' 16' ' ' ILE . 80.9 mt -65.48 -44.27 87.64 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.469 0.481 . . . . 72.43 111.067 177.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.06 -36.65 82.28 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.125 0.97 . . . . 70.52 111.029 -175.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . 0.441 ' CD1' HD21 ' B' ' 103' ' ' LEU . 57.6 t80 -67.41 -46.12 74.15 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.528 -0.76 . . . . 74.52 109.907 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.551 ' SG ' HG21 ' B' ' 100' ' ' ILE . 97.6 m -60.65 -32.0 71.19 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.659 -0.7 . . . . 72.31 111.466 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.542 ' HA ' HD12 ' B' ' 20' ' ' ILE . 36.6 mtp-105 -61.65 -43.44 98.84 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.823 -0.436 . . . . 72.31 109.823 176.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -66.14 -41.56 90.29 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.758 -0.655 . . . . 73.01 111.004 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -71.48 -19.58 62.19 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.187 0.595 . . . . 73.24 111.474 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . 0.423 ' CG ' HG12 ' B' ' 20' ' ' ILE . 79.8 t60 -79.11 -40.93 29.84 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 110.099 -0.334 . . . . 72.41 110.099 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 12.2 mm100 -71.08 -26.36 63.02 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.835 -0.62 . . . . 70.4 110.735 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 124.088 0.955 . . . . 73.11 108.576 174.609 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . 0.461 ' HA ' ' HD2' ' B' ' 74' ' ' PRO . 41.1 mm . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 119.873 -0.108 . . . . 71.52 110.839 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . 0.461 ' HD2' ' HA ' ' B' ' 73' ' ' ILE . 9.9 Cg_endo -52.33 140.02 53.51 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.191 2.594 . . . . 75.11 112.786 176.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.68 -35.99 39.93 Favored 'Trans proline' 0 C--N 1.386 2.526 0 C-N-CA 123.76 2.973 . . . . 73.31 114.79 -175.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.4 -49.36 77.53 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.684 0.394 . . . . 64.12 111.441 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.65 -31.31 69.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.916 0.886 . . . . 71.24 111.095 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -71.96 -50.1 31.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.315 1.046 . . . . 73.14 110.477 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.467 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 14.8 m-20 -77.57 -14.07 59.75 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.076 1.35 . . . . 73.52 112.527 -176.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.448 ' CE2' HD23 ' B' ' 103' ' ' LEU . 71.3 t80 -53.27 -35.42 60.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.1 0.56 . . . . 64.32 110.669 171.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 53.0 m -69.06 -16.98 63.82 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.793 1.237 . . . . 55.31 112.607 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.467 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 34.6 mmtp -75.49 78.27 2.53 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.333 0.653 . . . . 73.43 110.404 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -136.49 163.38 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.594 1.158 . . . . 74.14 108.867 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.86 157.28 25.05 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.63 0.772 . . . . 74.22 110.073 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -54.72 46.75 Favored Pre-proline 0 CA--C 1.572 1.805 0 C-N-CA 123.943 0.897 . . . . 74.32 111.876 -169.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.46 -30.65 23.34 Favored 'Trans proline' 0 C--N 1.391 2.776 0 CA-C-N 121.066 1.416 . . . . 75.22 112.426 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.2 m -63.14 -30.97 72.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.113 0.965 . . . . 61.42 111.451 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.16 -41.08 90.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.856 0.862 . . . . 75.15 109.596 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -72.2 -29.06 63.61 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.863 -0.608 . . . . 70.33 111.592 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -61.78 -36.52 81.32 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.623 0.369 . . . . 75.21 110.426 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.603 HD21 HG21 ' B' ' 50' ' ' ILE . 97.2 mt -65.72 -37.11 85.53 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.597 0.759 . . . . 74.14 110.937 175.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 58.4 mt -68.88 -44.04 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 123.427 0.691 . . . . 74.3 110.482 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.13 -38.31 90.62 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.534 0.733 . . . . 71.34 110.576 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.34 -41.54 69.66 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.98 0.8 . . . . 71.3 111.245 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.86 82.52 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.617 -0.72 . . . . 74.42 111.283 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . 0.425 HD22 ' HA ' ' A' ' 105' ' ' ASP . 45.7 t30 -79.33 -36.83 38.88 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.726 0.81 . . . . 64.21 110.643 178.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -63.06 -36.48 83.71 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.641 0.776 . . . . 74.01 110.838 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.407 HD23 HD13 ' B' ' 43' ' ' LEU . 98.4 mt -96.09 -13.03 23.97 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.756 0.823 . . . . 73.33 111.279 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 59.12 33.44 22.83 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.384 1.074 . . . . 73.12 111.944 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.551 HG21 ' SG ' ' B' ' 58' ' ' CYS . 31.8 mt -75.3 93.76 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.664 -0.865 . . . . 63.52 108.664 174.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -54.24 -49.99 87.2 Favored Pre-proline 0 CA--C 1.57 1.72 0 C-N-CA 124.356 1.063 . . . . 74.13 111.928 -176.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.13 -50.61 10.76 Favored 'Trans proline' 0 C--N 1.397 3.121 0 C-N-CA 121.754 1.636 . . . . 72.13 113.268 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.448 HD23 ' CE2' ' B' ' 80' ' ' PHE . 2.4 tm? -68.27 -39.48 82.16 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.805 0.442 . . . . 72.4 110.126 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.49 HD23 HD23 ' A' ' 104' ' ' LEU . 61.0 tp -57.97 -46.63 84.86 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.626 0.77 . . . . 73.51 110.619 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' B' ' 109' ' ' LYS . 19.7 t70 -66.07 -51.81 54.71 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 124.261 0.976 . . . . 74.43 110.582 -175.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 77.9 t -56.32 -46.96 81.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 O-C-N 124.025 0.828 . . . . 61.54 111.128 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.2 m -70.78 -34.47 71.82 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.395 0.678 . . . . 71.32 111.898 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 90.8 m -72.43 -37.53 68.56 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.011 0.524 . . . . 71.43 110.725 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' B' ' 105' ' ' ASP . 32.8 mmtp -68.35 -32.98 73.47 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.175 0.59 . . . . 73.44 109.686 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 92.6 m -58.8 -47.71 83.8 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 123.324 0.65 . . . . 73.42 111.085 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.504 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 15.7 t -65.1 -42.07 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 123.426 0.454 . . . . 74.2 110.092 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.16 -34.57 73.76 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.73 -1.123 . . . . 72.44 111.143 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -80.75 -24.48 38.65 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.211 1.004 . . . . 74.11 111.76 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.504 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 49.9 mtm -71.01 -51.27 26.37 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 109.27 -0.641 . . . . 74.31 109.27 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 40.8 pt -76.34 -30.94 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.489 -0.778 . . . . 71.41 110.736 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 . . . . . 0 C--N 1.357 0.898 0 C-N-CA 124.692 1.197 . . . . 75.54 110.484 -171.588 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 109.962 -0.384 . . . . 75.44 109.962 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.5 m -80.01 125.89 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.46 -0.571 . . . . 75.42 109.46 175.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 89.5 mttt -93.82 110.85 22.48 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.672 -0.862 . . . . 73.52 108.672 -175.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.4 mt -111.09 101.03 9.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.703 0.801 . . . . 64.41 109.25 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -81.72 128.91 34.47 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.516 -0.549 . . . . 75.31 109.516 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.5 p -71.11 -179.49 2.37 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.284 0.634 . . . . 72.23 111.103 172.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.2 p -68.67 -18.44 64.27 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.95 0.5 . . . . 74.52 110.468 169.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.435 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 29.4 t70 -91.69 9.86 30.68 Favored 'General case' 0 CA--C 1.564 1.492 0 C-N-CA 124.276 1.03 . . . . 73.24 110.591 173.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 68.98 8.9 7.12 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 125.447 1.499 . . . . 73.2 113.872 168.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -76.1 122.64 24.57 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.792 0.437 . . . . 65.14 110.166 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.421 HG12 ' HB3' ' A' ' 5' ' ' LYS . 61.2 t -78.97 102.14 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.627 1.171 . . . . 74.31 110.024 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -93.21 88.79 6.17 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.094 0.557 . . . . 74.42 109.908 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.556 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 31.1 mt-10 -73.24 111.94 8.83 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.085 -0.961 . . . . 75.21 108.54 173.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.2 tt -139.98 155.8 24.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.238 0.615 . . . . 72.24 109.475 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.83 133.28 55.28 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.483 0.713 . . . . 74.53 110.151 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.53 -31.57 69.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.06 0.944 . . . . 70.44 111.918 -176.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -56.0 -35.99 67.42 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.144 0.978 . . . . 75.25 112.129 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.413 HD12 ' HB2' ' A' ' 59' ' ' ARG . 37.8 mt -80.37 -34.82 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.0 0.92 . . . . 74.04 110.052 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.6 68.39 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.525 -0.762 . . . . 72.13 111.334 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 84.4 m -75.1 -27.27 59.8 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.782 0.833 . . . . 70.01 111.48 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.505 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 86.1 mtp -65.27 -37.51 87.43 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.235 0.541 . . . . 74.45 110.109 173.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.59 ' HA ' HG12 ' A' ' 100' ' ' ILE . 43.1 t -70.48 115.99 10.29 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.809 -1.087 . . . . 55.35 108.391 170.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 86.2 t -60.47 -52.05 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.46 0.704 . . . . 72.02 111.381 -174.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.408 ' HB ' ' HA ' ' A' ' 98' ' ' LEU . 88.0 m -64.58 -44.21 91.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.215 0.606 . . . . 74.25 112.086 -177.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.456 HG13 HD22 ' A' ' 98' ' ' LEU . 70.5 mt -65.04 -42.39 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 109.884 -0.413 . . . . 71.42 109.884 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -56.26 -45.09 80.2 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.961 0.904 . . . . 71.04 110.539 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.18 -34.49 77.75 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.772 0.67 . . . . 53.12 110.649 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.9 mtm -72.45 -34.33 67.68 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.827 0.451 . . . . 72.42 111.08 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 27' ' ' ILE . 78.6 mt -68.67 -38.12 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 N-CA-C 109.233 -0.655 . . . . 72.0 109.233 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.76 -26.44 59.77 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.495 0.718 . . . . 74.42 111.254 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.44 -46.07 20.66 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.638 0.775 . . . . 74.13 111.118 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -89.08 -39.76 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 115.552 -0.749 . . . . 75.34 110.063 -174.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.07 -151.77 18.18 Favored Glycine 0 C--N 1.342 0.876 0 N-CA-C 110.619 -0.993 . . . . 64.53 110.619 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -80.26 74.11 7.1 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 121.48 0.657 . . . . 74.13 109.536 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -75.4 109.14 8.7 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.254 -0.885 . . . . 71.12 110.647 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.19 -28.26 63.09 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.348 0.659 . . . . 72.33 109.565 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 m -60.61 136.61 92.57 Favored Pre-proline 0 CA--C 1.547 0.854 0 CA-C-N 115.172 -0.922 . . . . 75.51 110.7 172.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.57 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.6 Cg_endo -68.78 143.19 54.84 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.716 2.278 . . . . 72.22 111.772 177.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.4 mm -104.23 102.05 30.32 Favored Pre-proline 0 CA--C 1.551 1.007 0 N-CA-C 109.469 -0.567 . . . . 73.12 109.469 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.98 136.42 10.41 Favored 'Trans proline' 0 C--N 1.372 1.77 0 C-N-CA 122.486 2.124 . . . . 72.45 111.985 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.2 mt -103.41 95.34 6.94 Favored Pre-proline 0 CA--C 1.557 1.213 0 C-N-CA 124.556 1.142 . . . . 75.1 108.248 172.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -82.78 42.3 1.27 Allowed 'Trans proline' 0 C--N 1.378 2.113 0 C-N-CA 123.636 2.891 . . . . 74.44 113.974 -170.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -142.73 -57.61 0.43 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.211 0.604 . . . . 72.24 109.89 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.39 127.62 34.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 115.883 -0.599 . . . . 71.12 110.105 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.7 p -75.05 171.07 14.77 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.531 0.732 . . . . 75.44 111.494 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.435 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 34.1 p -63.06 -48.02 80.48 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.767 0.827 . . . . 71.14 112.181 -175.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 62.7 p -57.15 -46.2 82.95 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 124.237 0.961 . . . . 75.35 110.881 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.574 HG22 HD23 ' A' ' 91' ' ' LEU . 46.8 mm -74.99 -46.69 39.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.756 -0.656 . . . . 75.14 110.924 -174.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.38 -36.82 84.99 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.107 0.563 . . . . 73.01 110.844 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.99 -49.88 76.19 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.26 0.624 . . . . 75.13 109.822 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 49' ' ' THR . 27.9 mtpp -64.29 -46.92 81.5 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.56 1.163 . . . . 74.14 111.781 -176.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.534 HG12 ' HG ' ' A' ' 103' ' ' LEU . 70.2 t -60.77 -44.94 98.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 123.608 0.763 . . . . 70.42 110.089 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.5 mt -70.07 -32.12 70.05 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.304 0.641 . . . . 75.23 111.516 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.57 -32.33 60.34 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.475 0.71 . . . . 70.25 111.213 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -75.1 -40.02 60.26 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.825 -0.435 . . . . 74.51 109.825 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.496 ' SG ' HD12 ' A' ' 100' ' ' ILE . 84.2 m -64.41 -37.61 88.13 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.007 -0.542 . . . . 74.33 110.404 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.413 ' HB2' HD12 ' A' ' 20' ' ' ILE . 6.5 ptm180 -72.41 -34.39 67.84 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.814 0.446 . . . . 73.51 110.124 178.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -58.85 -47.16 85.85 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.147 0.979 . . . . 75.55 110.52 171.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -78.49 -15.37 58.69 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.967 -1.015 . . . . 71.21 110.409 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.505 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 71.8 t60 -82.28 -38.83 23.82 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.662 0.385 . . . . 75.03 110.478 176.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 19.6 mm100 -73.91 -30.94 62.86 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.688 -0.687 . . . . 75.02 110.416 178.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 108.129 -1.063 . . . . 72.41 108.129 174.158 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.9 mm . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.404 -0.591 . . . . 65.12 109.404 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -61.56 142.48 94.95 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.201 1.934 . . . . 72.4 111.319 170.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.0 -32.47 58.17 Favored 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 123.4 2.733 . . . . 74.11 113.191 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -52.4 -41.25 63.01 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.943 0.897 . . . . 74.41 112.041 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -36.67 84.65 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.978 0.911 . . . . 74.22 110.525 -176.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -76.37 -34.96 58.91 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.557 -0.747 . . . . 75.32 110.544 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -70.67 -27.15 63.81 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.24 -0.436 . . . . 61.41 110.802 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -65.12 -39.47 93.13 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.354 1.061 . . . . 70.02 109.958 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 66.1 m -69.91 -20.82 63.34 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.377 -1.283 . . . . 75.22 112.06 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -76.06 82.88 2.91 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.19 0.596 . . . . 73.22 109.473 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.59 167.15 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.754 1.222 . . . . 65.15 109.105 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -70.74 157.84 37.33 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 109.197 -0.668 . . . . 73.51 109.197 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -57.27 -50.68 86.79 Favored Pre-proline 0 CA--C 1.566 1.576 0 N-CA-C 113.144 0.794 . . . . 62.4 113.144 -171.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.48 -37.07 31.51 Favored 'Trans proline' 0 C--N 1.388 2.639 0 C-N-CA 121.503 1.468 . . . . 72.53 112.421 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 28.6 m -60.21 -32.76 71.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.4 1.08 . . . . 74.4 111.599 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.48 -48.75 74.02 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.089 0.955 . . . . 74.33 109.402 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -66.83 -29.85 69.88 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.605 -0.725 . . . . 71.13 111.274 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.403 ' HB3' HG13 ' A' ' 50' ' ' ILE . 19.3 mm-40 -63.39 -38.51 91.41 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.147 0.579 . . . . 73.41 111.254 173.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.574 HD23 HG22 ' A' ' 50' ' ' ILE . 96.1 mt -64.94 -37.36 87.4 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.242 0.617 . . . . 74.14 110.621 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.3 mt -65.79 -45.07 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.553 0.741 . . . . 73.44 110.221 176.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.85 -39.45 90.79 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.879 0.871 . . . . 73.33 111.173 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.85 -34.74 66.97 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.534 0.734 . . . . 73.33 110.956 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.549 ' HB1' HD13 ' A' ' 103' ' ' LEU . . . -73.67 -28.83 61.96 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.53 0.732 . . . . 71.54 111.831 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -78.95 -38.9 35.97 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.432 0.693 . . . . 74.13 109.997 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -63.65 -41.3 98.23 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.007 0.923 . . . . 72.03 111.088 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.456 HD22 HG13 ' A' ' 27' ' ' ILE . 83.3 mt -94.26 -9.22 36.81 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.609 0.763 . . . . 73.01 111.204 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 25.0 t0 57.21 33.8 23.86 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.555 1.542 . . . . 53.04 112.03 176.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.59 HG12 ' HA ' ' A' ' 24' ' ' SER . 47.6 mt -81.68 105.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.526 -0.761 . . . . 73.3 109.186 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -61.12 -49.85 86.78 Favored Pre-proline 0 CA--C 1.566 1.573 0 CA-C-O 117.901 -1.047 . . . . 73.11 112.537 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -57.35 -39.15 91.77 Favored 'Trans proline' 0 C--N 1.408 3.673 0 C-N-CA 121.953 1.769 . . . . 73.23 113.485 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.549 HD13 ' HB1' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -68.87 -52.42 29.91 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.04 -0.726 . . . . 72.32 109.04 -179.56 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.52 HD23 HD23 ' B' ' 104' ' ' LEU . 41.9 tp -61.21 -43.94 98.08 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.632 -1.167 . . . . 73.4 111.306 -173.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.43 -49.43 66.77 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.98 0.8 . . . . 74.13 110.692 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.2 t -58.01 -44.26 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.43 0.692 . . . . 74.5 111.202 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.5 m -74.08 -31.02 62.65 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.483 0.713 . . . . 74.11 111.958 -177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 88.8 m -75.85 -29.7 58.66 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.945 0.498 . . . . 74.22 110.491 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -28.7 60.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.362 0.665 . . . . 74.35 110.177 175.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -56.88 -53.62 55.84 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.384 0.673 . . . . 72.21 111.101 174.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.4 m -66.68 -35.47 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 116.441 -0.345 . . . . 65.14 110.797 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.19 80.49 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 124.056 0.847 . . . . 74.23 111.641 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -72.61 -43.0 63.87 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.298 0.639 . . . . 74.35 110.749 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 63.3 mtm -64.12 -38.44 91.05 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.313 0.645 . . . . 74.43 111.848 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 86' ' ' PRO . 24.8 pt -83.06 -28.93 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 122.982 0.513 . . . . 72.05 111.217 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -80.27 97.06 6.81 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.779 -0.822 . . . . 73.23 108.779 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.699 0 CA-C-N 115.325 -0.852 . . . . 64.3 113.442 173.229 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 120.7 0.286 . . . . 73.12 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.91 116.6 12.5 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.779 -0.646 . . . . 75.42 109.707 171.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.58 125.31 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.477 0.656 . . . . 74.34 109.44 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.578 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 89.7 mttt -93.57 111.47 23.15 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.637 -0.875 . . . . 73.33 108.637 -175.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.2 mt -111.48 100.34 8.93 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.522 0.729 . . . . 73.32 109.298 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -80.57 128.18 33.3 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.613 -0.514 . . . . 63.04 109.613 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.9 p -70.57 179.64 2.47 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.064 0.545 . . . . 74.23 111.123 172.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.5 p -67.12 -20.29 65.75 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.033 0.533 . . . . 51.15 110.416 169.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 26.9 t70 -90.34 8.91 31.07 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 124.336 1.054 . . . . 73.22 110.714 174.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 69.23 11.04 8.09 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 125.372 1.469 . . . . 74.4 113.698 168.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -77.58 123.17 26.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.785 0.434 . . . . 71.52 110.111 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.422 HG12 ' HB3' ' B' ' 5' ' ' LYS . 59.7 t -79.91 101.62 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.263 1.025 . . . . 75.5 109.935 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -92.56 88.74 6.44 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.184 0.516 . . . . 74.31 109.842 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.555 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 32.2 mt-10 -72.76 112.38 8.76 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.211 -1.033 . . . . 73.24 108.211 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.0 tt -140.38 156.37 23.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 109.511 -0.551 . . . . 75.2 109.511 -176.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.96 133.86 55.92 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.293 0.637 . . . . 62.32 110.19 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -60.58 -31.25 70.4 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.266 1.026 . . . . 64.11 111.648 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -56.8 -36.09 69.51 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.006 0.923 . . . . 71.14 112.005 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 37.1 mt -79.54 -35.14 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.771 0.828 . . . . 74.45 110.077 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.56 -26.82 68.58 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.604 -0.725 . . . . 73.13 111.334 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 76.7 m -74.63 -28.97 61.11 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.665 0.786 . . . . 63.44 111.383 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' MET . . . . . 0.498 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 85.6 mtp -63.72 -37.07 85.98 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.093 0.473 . . . . 71.53 110.271 174.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.573 ' HA ' HG12 ' B' ' 100' ' ' ILE . 42.5 t -70.53 116.69 11.15 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.996 -1.002 . . . . 74.35 108.484 170.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.516 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 89.1 t -61.05 -52.32 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.39 0.676 . . . . 74.24 111.206 -174.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.409 ' HB ' ' HA ' ' B' ' 98' ' ' LEU . 84.9 m -64.23 -44.57 91.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.352 0.661 . . . . 73.42 112.241 -177.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.469 HG13 HD22 ' B' ' 98' ' ' LEU . 70.7 mt -64.84 -42.2 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 109.894 -0.41 . . . . 74.22 109.894 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -56.15 -45.19 79.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.923 0.889 . . . . 75.54 110.475 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.29 -34.37 77.54 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.916 0.76 . . . . 74.4 110.752 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 73.6 mtm -72.8 -34.38 66.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.041 0.536 . . . . 72.3 110.988 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.409 HG13 ' O ' ' B' ' 27' ' ' ILE . 77.9 mt -68.59 -37.1 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.319 0.648 . . . . 75.43 109.474 174.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -76.16 -26.27 56.08 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.557 0.743 . . . . 64.22 111.428 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -78.68 -46.35 19.31 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.758 0.823 . . . . 73.3 111.101 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 67.3 mt -87.96 -41.36 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.272 -0.877 . . . . 72.45 109.935 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.96 -151.17 18.34 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 110.761 -0.936 . . . . 64.53 110.761 -174.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -80.91 74.31 7.89 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.536 0.684 . . . . 74.43 109.382 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 28.6 p -75.94 109.86 9.92 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.009 -0.996 . . . . 75.1 110.009 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.93 -30.55 65.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.974 -0.75 . . . . 74.24 108.974 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 37.6 m -60.62 135.95 92.35 Favored Pre-proline 0 CA--C 1.544 0.712 0 O-C-N 124.389 1.056 . . . . 74.11 110.585 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . 0.578 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 58.7 Cg_endo -67.75 143.75 62.84 Favored 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 122.853 2.369 . . . . 74.21 111.522 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mm -104.66 101.81 30.71 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 109.612 -0.514 . . . . 72.35 109.612 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.54 136.83 11.22 Favored 'Trans proline' 0 C--N 1.374 1.874 0 C-N-CA 122.326 2.018 . . . . 71.41 112.068 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 63.6 mt -104.07 94.46 6.66 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 124.498 1.119 . . . . 75.43 108.231 172.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -82.06 42.34 1.3 Allowed 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 123.463 2.775 . . . . 71.34 114.16 -171.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -142.54 -56.84 0.44 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.328 0.651 . . . . 75.33 109.878 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.61 126.91 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-N 115.982 -0.554 . . . . 73.52 110.062 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.9 p -74.45 169.9 16.77 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.805 0.842 . . . . 63.13 111.279 -176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.429 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 31.0 p -63.02 -47.79 81.57 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.756 0.823 . . . . 70.32 112.216 -174.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.451 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 66.1 p -57.2 -45.33 83.87 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 124.159 0.912 . . . . 74.33 111.145 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.557 HG22 HD23 ' B' ' 91' ' ' LEU . 47.3 mm -75.43 -46.47 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.579 -0.737 . . . . 75.12 110.797 -174.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.35 -36.86 85.1 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.625 0.578 . . . . 75.1 110.746 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.73 -49.81 76.25 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.325 0.65 . . . . 60.34 109.858 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' B' ' 49' ' ' THR . 28.1 mtpp -64.62 -46.47 82.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.934 -1.03 . . . . 74.13 111.979 -176.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.53 HG12 ' HG ' ' B' ' 103' ' ' LEU . 69.7 t -61.13 -45.28 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.63 0.772 . . . . 63.32 110.012 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 76.1 mt -69.61 -31.88 70.27 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.775 -0.648 . . . . 74.42 111.529 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -75.61 -32.66 60.37 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.479 0.712 . . . . 75.04 111.375 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -75.14 -39.77 60.22 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.898 -0.408 . . . . 74.13 109.898 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.48 ' SG ' HD12 ' B' ' 100' ' ' ILE . 84.7 m -64.65 -37.48 87.74 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.975 -0.557 . . . . 74.2 110.541 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 6.5 ptm180 -72.5 -34.39 67.62 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.803 0.441 . . . . 72.5 110.278 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -58.79 -47.86 83.28 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.266 1.027 . . . . 72.35 110.433 171.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -77.74 -15.63 58.99 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.238 -0.892 . . . . 64.11 110.48 -177.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . 0.498 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 70.7 t60 -82.22 -39.25 23.35 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.614 0.366 . . . . 64.31 110.496 176.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 17.2 mm100 -73.3 -31.24 63.92 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.782 -0.645 . . . . 74.3 110.395 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 . . . . . 0 C--O 1.244 0.783 0 N-CA-C 108.22 -1.03 . . . . 75.02 108.22 173.781 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.7 mm . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 109.043 -0.725 . . . . 70.33 109.043 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.95 141.85 90.86 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.322 2.015 . . . . 55.42 111.313 169.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.41 -32.03 50.43 Favored 'Trans proline' 0 C--N 1.382 2.332 0 C-N-CA 123.259 2.639 . . . . 74.4 113.409 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -52.58 -41.65 63.8 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.715 0.806 . . . . 70.1 112.092 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.6 -37.22 85.38 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.027 0.931 . . . . 64.03 110.692 -177.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -76.27 -35.29 58.98 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.287 -0.87 . . . . 74.33 110.912 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.09 -26.39 63.02 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.808 -0.633 . . . . 74.34 110.785 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -65.28 -39.65 92.84 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.244 1.018 . . . . 75.11 109.942 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.0 m -70.53 -18.98 62.93 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 114.286 -1.325 . . . . 73.4 112.261 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -77.28 82.22 3.76 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.33 0.652 . . . . 75.1 109.693 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 m -135.87 166.96 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.717 1.207 . . . . 62.51 109.093 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -70.38 157.69 37.33 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 109.284 -0.635 . . . . 71.22 109.284 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -57.09 -50.49 87.93 Favored Pre-proline 0 CA--C 1.566 1.592 0 C-N-CA 123.782 0.833 . . . . 75.53 113.036 -171.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . 0.548 ' HA ' HD12 ' A' ' 115' ' ' ILE . 40.4 Cg_endo -65.49 -36.75 32.88 Favored 'Trans proline' 0 C--N 1.388 2.65 0 C-N-CA 121.48 1.453 . . . . 71.03 112.872 173.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 28.3 m -61.01 -31.86 71.46 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.39 1.076 . . . . 72.43 111.715 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.89 -49.05 72.0 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.024 0.93 . . . . 74.1 109.417 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.423 ' CD2' HD11 ' A' ' 115' ' ' ILE . 52.1 m-85 -67.22 -29.65 69.36 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.591 -0.732 . . . . 72.34 111.343 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.8 -38.61 91.36 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.274 0.63 . . . . 74.24 111.288 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.557 HD23 HG22 ' B' ' 50' ' ' ILE . 96.0 mt -65.06 -37.19 86.75 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.144 0.578 . . . . 75.31 110.637 175.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.79 -45.0 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.583 0.753 . . . . 73.13 110.156 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.22 -40.63 94.38 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.926 0.89 . . . . 74.31 111.275 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.19 -34.76 68.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.519 0.728 . . . . 75.53 110.982 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' B' ' 103' ' ' LEU . . . -73.71 -28.4 61.71 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.478 0.711 . . . . 74.53 111.664 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -79.14 -39.89 32.38 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.493 0.717 . . . . 72.32 109.933 174.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -63.11 -40.92 99.04 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.982 0.913 . . . . 75.12 111.106 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.469 HD22 HG13 ' B' ' 27' ' ' ILE . 83.3 mt -94.6 -8.46 38.03 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.614 0.765 . . . . 74.35 111.195 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.516 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 25.2 t0 56.34 34.24 23.77 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.478 1.511 . . . . 73.13 111.958 177.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.573 HG12 ' HA ' ' B' ' 24' ' ' SER . 46.6 mt -82.0 105.98 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 115.462 -0.79 . . . . 73.34 109.21 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -62.43 -48.99 85.72 Favored Pre-proline 0 CA--C 1.563 1.455 0 CA-C-O 117.88 -1.057 . . . . 75.24 112.446 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.15 -38.57 95.11 Favored 'Trans proline' 0 C--N 1.404 3.467 0 C-N-CA 121.894 1.73 . . . . 64.44 113.528 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.562 HD13 ' HB1' ' B' ' 95' ' ' ALA . 0.7 OUTLIER -69.73 -52.4 25.78 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.105 -0.702 . . . . 72.5 109.105 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.52 HD23 HD23 ' A' ' 104' ' ' LEU . 42.3 tp -61.24 -44.68 96.87 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.644 -1.162 . . . . 74.44 111.327 -173.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.05 -48.76 69.98 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.177 0.923 . . . . 70.22 110.433 -175.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.56 -44.55 89.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.407 0.683 . . . . 74.41 111.245 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -73.62 -30.85 63.22 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.542 0.737 . . . . 74.23 111.89 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.5 m -76.06 -29.37 57.98 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.121 0.568 . . . . 64.34 110.707 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.61 -28.57 58.91 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.403 0.681 . . . . 63.12 110.368 175.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 89.3 m -56.99 -53.86 53.21 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.387 0.675 . . . . 74.01 111.035 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.6 m -66.67 -35.49 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 O-C-N 123.178 0.299 . . . . 73.43 110.761 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.02 -35.6 79.03 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.9 0.75 . . . . 50.32 111.527 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -72.56 -43.79 62.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.194 0.598 . . . . 63.34 110.639 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 62.9 mtm -63.14 -38.94 93.15 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.089 0.556 . . . . 74.42 111.654 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 24.4 pt -82.67 -28.79 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 116.095 -0.502 . . . . 74.02 111.278 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 109.414 -0.587 . . . . 75.44 109.414 178.123 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.836 -0.061 . . . . 63.0 110.836 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.15 131.1 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.738 -0.838 . . . . 74.4 108.738 167.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.536 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 51.1 mttm -83.2 120.07 25.35 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.534 -0.913 . . . . 74.14 108.534 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.9 mt -120.79 102.81 8.62 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.126 0.571 . . . . 73.24 109.632 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -80.86 154.41 27.11 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.427 0.632 . . . . 73.3 110.272 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.3 p -91.98 -174.6 3.84 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-N 114.948 -1.024 . . . . 65.2 111.024 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 p -62.5 -32.9 73.89 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 115.487 -0.779 . . . . 75.11 109.906 166.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.406 ' HB3' ' HZ3' ' A' ' 12' ' ' LYS . 2.7 m-20 -76.14 -2.44 31.07 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.41 1.084 . . . . 73.42 111.952 173.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 66.55 12.48 8.76 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 125.199 1.4 . . . . 74.11 113.124 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' HZ3' ' HB3' ' A' ' 10' ' ' ASP . 56.2 mttp -74.07 128.54 35.79 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.649 -0.5 . . . . 75.25 109.649 177.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.5 t -75.84 116.6 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.195 0.998 . . . . 72.44 110.678 -174.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -115.07 88.12 2.8 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.833 -0.803 . . . . 75.4 108.833 174.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 97.9 mt-10 -66.66 127.71 33.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.089 -0.96 . . . . 75.21 109.135 172.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.607 HD12 ' HB3' ' A' ' 55' ' ' LEU . 9.2 tt -142.48 148.17 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.348 -0.982 . . . . 75.52 108.348 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.71 132.05 52.71 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.855 -0.424 . . . . 73.24 109.855 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.63 -41.5 95.02 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.454 1.102 . . . . 74.12 111.441 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -61.75 -29.94 70.45 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.46 1.104 . . . . 75.32 112.014 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 59' ' ' ARG . 43.3 mt -76.08 -41.46 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 109.467 -0.568 . . . . 74.01 109.467 174.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -16.96 62.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.939 0.896 . . . . 73.33 112.194 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.6 m -72.75 -22.58 60.83 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.291 0.637 . . . . 72.44 111.96 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.7 mtm -64.47 -29.33 70.37 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.522 0.677 . . . . 73.41 110.323 174.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.402 ' HG ' ' HB3' ' A' ' 98' ' ' LEU . 40.6 t -71.17 111.97 6.94 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.06 -1.089 . . . . 63.21 108.06 164.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.411 ' HB ' ' CB ' ' A' ' 99' ' ' ASP . 45.8 t -66.31 -35.37 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.389 0.431 . . . . 73.51 110.359 -176.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.503 HG22 ' HE1' ' A' ' 30' ' ' MET . 35.7 m -62.58 -49.25 76.0 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.059 0.544 . . . . 72.45 111.504 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.16 -37.34 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 122.968 0.507 . . . . 74.31 109.838 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -61.0 -41.54 96.73 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.387 0.675 . . . . 75.23 110.2 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.94 -31.01 69.59 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.2 0.6 . . . . 74.45 110.987 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.503 ' HE1' HG22 ' A' ' 26' ' ' THR . 67.7 mtt -66.92 -40.73 87.73 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.23 0.612 . . . . 73.14 109.918 173.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.21 -38.17 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 123.85 0.86 . . . . 73.42 110.477 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.32 -38.46 60.22 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.946 0.498 . . . . 73.01 111.659 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.9 -46.46 21.24 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.432 0.693 . . . . 74.33 111.556 -174.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -81.91 -19.31 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.524 0.73 . . . . 75.33 110.63 -176.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.43 26.83 29.23 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 116.407 -0.36 . . . . 73.0 112.239 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 76.27 127.5 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.283 1.833 . . . . 75.43 111.729 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.4 m -116.15 114.17 24.11 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.807 0.843 . . . . 64.34 109.669 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.18 -29.91 61.98 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.36 -0.978 . . . . 62.12 108.36 167.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 m -59.29 152.77 51.63 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.262 1.425 . . . . 74.55 111.796 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -67.15 142.64 61.87 Favored 'Trans proline' 0 C--N 1.373 1.845 0 C-N-CA 122.695 2.264 . . . . 75.31 112.492 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mm -123.56 117.53 27.7 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 124.194 0.998 . . . . 74.25 108.892 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -80.87 141.73 13.55 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.211 1.941 . . . . 63.22 111.561 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.431 HD23 HD21 ' A' ' 98' ' ' LEU . 6.9 mp -110.31 92.28 13.25 Favored Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 107.71 -1.219 . . . . 74.34 107.71 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.77 70.69 7.12 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.954 2.436 . . . . 64.52 112.068 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -169.12 -57.24 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.64 0.776 . . . . 74.11 109.812 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -88.17 128.64 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 CA-C-N 115.22 -0.9 . . . . 75.51 110.081 -174.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.7 p -71.81 165.79 23.37 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.515 0.726 . . . . 74.15 110.87 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 44.8 p -68.55 -39.44 81.1 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.594 0.59 . . . . 71.12 112.594 -174.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -64.16 -40.59 96.45 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.989 0.516 . . . . 74.33 110.932 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.416 ' O ' HG22 ' A' ' 54' ' ' VAL . 51.7 mm -74.73 -46.81 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.961 -0.563 . . . . 74.53 109.897 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.23 -35.09 79.68 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.522 0.729 . . . . 74.43 111.239 -175.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -56.21 -50.15 72.07 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.769 0.668 . . . . 72.3 109.577 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -69.86 -34.55 73.75 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.492 1.12 . . . . 75.54 112.081 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.427 HG11 HD12 ' A' ' 98' ' ' LEU . 55.6 t -65.94 -48.04 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.526 0.73 . . . . 75.45 109.728 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.607 ' HB3' HD12 ' A' ' 16' ' ' ILE . 76.1 mt -73.24 -28.28 62.06 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.472 -0.785 . . . . 73.12 111.209 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.88 -35.15 64.68 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.832 0.853 . . . . 71.02 111.225 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -69.79 -43.35 72.3 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.177 -0.675 . . . . 74.34 109.177 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.636 ' SG ' HD13 ' A' ' 100' ' ' ILE . 85.4 m -63.02 -41.91 99.67 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.376 -0.829 . . . . 64.14 110.521 175.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.519 ' HA ' HD13 ' A' ' 20' ' ' ILE . 45.8 ttp85 -60.0 -46.53 89.19 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.727 0.811 . . . . 72.22 109.7 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -59.53 -47.67 84.62 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 114.348 -1.296 . . . . 71.51 111.118 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -72.55 -31.22 65.11 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.583 0.552 . . . . 73.1 111.701 -171.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -80.5 -45.75 16.98 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.986 0.515 . . . . 75.44 110.745 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -77.35 -32.63 55.19 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.492 0.717 . . . . 72.42 111.084 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 . . . . . 0 CA--C 1.551 1.003 0 C-N-CA 124.276 1.031 . . . . 70.42 108.323 176.609 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.6 mm . . . . . 0 CA--C 1.552 1.054 0 N-CA-C 109.605 -0.517 . . . . 73.34 109.605 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.66 129.33 33.1 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.632 2.221 . . . . 75.31 112.115 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -58.32 -18.78 39.72 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 123.163 2.575 . . . . 74.34 113.004 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.16 -54.76 36.46 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.984 0.913 . . . . 73.33 110.096 173.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.88 -29.27 64.17 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.963 0.905 . . . . 75.25 111.29 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -74.7 -36.55 62.73 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.923 -0.581 . . . . 71.41 110.588 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.581 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 10.7 m-20 -77.81 -22.99 49.21 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.107 -0.497 . . . . 64.24 111.188 173.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -61.13 -39.89 91.75 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 109.775 -0.454 . . . . 73.05 109.775 168.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 76.5 m -75.85 0.39 18.33 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.917 0.887 . . . . 73.32 112.556 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.581 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 34.2 mmtp -76.14 85.21 2.99 Favored 'General case' 0 C--N 1.362 1.139 0 N-CA-C 108.865 -0.791 . . . . 75.12 108.865 170.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.485 HG12 HD13 ' A' ' 91' ' ' LEU . 13.9 m -135.73 151.99 30.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 C-N-CA 124.467 1.107 . . . . 71.45 109.091 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -75.39 170.58 15.82 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.38 -0.6 . . . . 75.33 109.38 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.08 -50.78 85.41 Favored Pre-proline 0 CA--C 1.563 1.479 0 CA-C-O 118.245 -0.883 . . . . 73.02 113.202 -175.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.41 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 36.5 Cg_endo -62.56 -34.44 75.11 Favored 'Trans proline' 0 C--N 1.389 2.66 0 CA-C-N 121.296 1.499 . . . . 71.25 112.362 174.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.458 ' HB ' ' HB ' ' A' ' 83' ' ' VAL . 4.1 m -68.85 -30.33 68.83 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 124.134 0.974 . . . . 74.42 111.295 -175.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.473 ' HG ' HG21 ' A' ' 83' ' ' VAL . 13.0 mt -54.96 -51.93 64.62 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.139 0.976 . . . . 75.54 109.891 170.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -69.0 -30.37 68.75 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.034 -0.984 . . . . 75.42 111.694 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 35.2 mm-40 -65.62 -36.22 83.08 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.765 0.426 . . . . 75.25 111.86 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.488 ' HB2' HG21 ' A' ' 107' ' ' THR . 90.4 mt -68.89 -36.3 77.89 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.881 0.472 . . . . 74.31 110.641 174.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.73 -44.86 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.668 0.787 . . . . 74.24 110.162 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.5 mt -68.51 -38.27 80.77 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.843 0.857 . . . . 70.15 111.206 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.58 -38.94 70.86 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.395 0.678 . . . . 71.02 111.324 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.52 -30.17 65.62 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.379 0.672 . . . . 74.23 111.612 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -72.79 -44.38 61.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.769 0.827 . . . . 74.21 109.891 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -64.05 -35.48 80.88 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.984 0.913 . . . . 73.44 111.362 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.431 HD21 HD23 ' A' ' 43' ' ' LEU . 86.2 mt -103.5 1.95 33.0 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.177 0.591 . . . . 75.22 112.555 -177.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.411 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 3.9 m-20 61.3 18.47 9.25 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.562 0.745 . . . . 75.43 112.745 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.636 HD13 ' SG ' ' A' ' 58' ' ' CYS . 47.9 mt -80.74 89.01 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.484 0 N-CA-C 108.531 -0.915 . . . . 72.35 108.531 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 104' ' ' LEU . 42.6 mtpt -69.19 -33.2 3.81 Favored Pre-proline 0 CA--C 1.554 1.128 0 CA-C-O 117.613 -1.184 . . . . 75.14 113.422 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -48.06 -39.07 33.14 Favored 'Trans proline' 0 C--N 1.397 3.092 0 C-N-CA 121.976 1.784 . . . . 72.34 112.993 166.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 33.0 tp -81.26 -48.77 11.59 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.206 0.602 . . . . 75.11 111.069 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 101' ' ' LYS . 54.9 tp -56.88 -48.97 76.92 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.28 1.032 . . . . 74.32 111.278 -173.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 27.8 t70 -62.04 -50.69 70.99 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 114.551 -1.204 . . . . 75.05 110.643 -176.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.55 -45.45 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 O-C-N 124.214 0.946 . . . . 75.44 112.115 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.488 HG21 ' HB2' ' A' ' 91' ' ' LEU . 58.8 m -66.38 -46.78 75.5 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.553 0.341 . . . . 73.32 110.959 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.3 m -66.87 -29.41 69.31 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.705 -0.679 . . . . 65.24 111.191 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 105' ' ' ASP . 0.8 OUTLIER -72.5 -46.81 52.94 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 109.173 -0.677 . . . . 73.4 109.173 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.7 m -61.44 -50.04 74.38 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 124.157 0.911 . . . . 74.11 111.302 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.401 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 12.7 p -64.52 -33.31 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 123.392 0.433 . . . . 73.34 110.767 -178.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.84 -35.33 67.24 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 123.404 0.682 . . . . 73.24 111.125 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.474 ' HA ' ' HB3' ' A' ' 116' ' ' ARG . 90.1 m-20 -72.67 -24.39 61.02 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.369 0.667 . . . . 64.21 111.478 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.401 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 46.4 mtm -63.88 -39.24 93.72 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.646 0.378 . . . . 72.41 110.639 177.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 31.9 pt -92.79 -22.72 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.304 0.642 . . . . 70.15 111.221 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.474 ' HB3' ' HA ' ' A' ' 113' ' ' ASN . 60.6 ttt180 -74.88 -48.25 25.8 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.252 1.021 . . . . 74.23 110.446 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 N-CA-C 110.687 -0.965 . . . . 74.12 110.687 -176.638 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.588 -0.152 . . . . 75.3 110.588 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 69.5 mt -91.2 120.61 32.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.457 0.703 . . . . 72.2 110.708 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 m -90.77 132.0 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 108.92 -0.77 . . . . 62.41 108.92 166.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.531 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 50.9 mttm -83.31 119.63 24.83 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 108.549 -0.908 . . . . 71.32 108.549 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -120.69 103.29 9.0 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.171 0.589 . . . . 75.12 109.705 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -81.96 154.5 25.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.367 0.604 . . . . 73.31 110.346 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.9 p -92.03 -174.65 3.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.946 -1.025 . . . . 64.03 110.967 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.7 p -64.05 -31.07 72.13 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 115.589 -0.732 . . . . 73.33 109.834 167.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . 0.414 ' HB2' ' HB3' ' B' ' 48' ' ' SER . 3.5 m-20 -77.33 -2.65 36.01 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.638 1.175 . . . . 74.32 111.652 173.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 66.94 12.23 8.83 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 125.276 1.43 . . . . 74.51 113.274 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -73.84 128.48 35.64 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.51 -0.552 . . . . 75.52 109.51 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.76 117.98 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.257 1.023 . . . . 64.43 110.602 -175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -116.67 87.9 2.79 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.923 -0.769 . . . . 72.42 108.923 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.531 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 98.2 mt-10 -67.51 128.16 35.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.913 -1.039 . . . . 75.22 108.873 173.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.607 HD12 ' HB3' ' B' ' 55' ' ' LEU . 9.1 tt -143.04 149.04 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.238 -1.023 . . . . 74.24 108.238 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.13 132.83 55.2 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.91 -0.404 . . . . 70.42 109.91 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.85 -41.58 96.13 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.348 1.059 . . . . 73.44 111.392 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.43 -30.45 70.58 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.069 0.856 . . . . 70.14 112.076 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' B' ' 59' ' ' ARG . 43.7 mt -75.63 -40.96 41.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 CA-C-O 121.205 0.526 . . . . 74.42 109.656 174.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.77 -16.52 62.2 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.856 0.863 . . . . 72.42 112.263 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -73.78 -21.96 60.0 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.457 0.703 . . . . 64.54 112.275 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 20.6 mtm -64.77 -29.33 70.3 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.566 0.698 . . . . 62.55 110.161 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.7 t -71.76 110.87 6.59 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.731 -1.122 . . . . 75.44 108.029 164.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.02 -34.67 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 123.346 0.404 . . . . 63.13 110.528 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.463 HG22 ' HE1' ' B' ' 30' ' ' MET . 35.3 m -62.99 -49.36 74.99 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.024 0.53 . . . . 74.15 111.439 178.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.96 -37.46 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.146 0.578 . . . . 72.11 109.836 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -61.17 -41.57 97.03 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.39 0.676 . . . . 74.14 110.14 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.12 -30.45 68.72 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.285 0.634 . . . . 75.25 111.03 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.463 ' HE1' HG22 ' B' ' 26' ' ' THR . 67.7 mtt -67.09 -40.83 87.04 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.167 0.587 . . . . 71.42 109.823 173.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.2 -38.1 81.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.855 0.862 . . . . 73.32 110.632 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.94 -36.22 59.43 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.484 0.314 . . . . 75.15 111.704 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -78.84 -46.42 18.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.083 0.553 . . . . 74.31 111.62 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 57.5 mt -82.69 -18.42 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.667 0.787 . . . . 71.43 110.309 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.54 28.13 30.66 Favored Glycine 0 C--N 1.347 1.17 0 CA-C-N 116.156 -0.475 . . . . 63.43 111.986 -176.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 76.07 128.21 0.04 OUTLIER 'General case' 0 C--N 1.353 0.75 0 C-N-CA 126.433 1.893 . . . . 74.54 111.894 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 25.2 m -116.31 113.58 23.15 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 123.989 0.916 . . . . 74.2 109.621 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -73.35 -30.3 63.23 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 108.41 -0.959 . . . . 73.35 108.41 167.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.4 m -59.3 153.16 49.47 Favored Pre-proline 0 CA--C 1.557 1.231 0 CA-C-N 114.021 -1.445 . . . . 72.43 111.914 173.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.98 141.43 53.29 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.68 2.254 . . . . 73.41 113.03 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 48.2 mm -122.37 117.58 29.15 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.008 0.923 . . . . 74.22 108.85 -177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -81.15 141.46 12.97 Favored 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.173 1.915 . . . . 61.21 111.563 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.441 HD23 HD21 ' B' ' 98' ' ' LEU . 6.8 mp -109.87 92.7 13.1 Favored Pre-proline 0 CA--C 1.552 1.037 0 N-CA-C 107.641 -1.244 . . . . 75.13 107.641 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -82.15 68.14 7.92 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 123.038 2.492 . . . . 73.04 112.334 -174.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -166.91 -57.38 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.48 -0.782 . . . . 70.21 109.687 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -87.62 128.72 39.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-N 115.339 -0.846 . . . . 73.13 110.005 -174.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 72.0 p -71.67 166.55 21.69 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.663 0.785 . . . . 74.05 110.964 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.414 ' HB3' ' HB2' ' B' ' 10' ' ' ASP . 63.3 p -69.47 -38.31 77.65 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.729 0.641 . . . . 43.34 112.729 -173.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 23.4 p -64.54 -42.01 95.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.234 0.614 . . . . 74.42 110.777 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.42 ' O ' HG22 ' B' ' 54' ' ' VAL . 51.9 mm -74.07 -46.62 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 115.883 -0.598 . . . . 72.32 109.95 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.6 tp -64.48 -34.92 79.34 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.429 0.692 . . . . 74.44 111.288 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -56.58 -49.24 75.44 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 123.53 0.519 . . . . 75.53 109.649 173.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -70.72 -34.31 71.77 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 124.31 1.006 . . . . 74.25 112.176 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.433 HG11 HD12 ' B' ' 98' ' ' LEU . 55.7 t -66.01 -47.98 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.677 0.791 . . . . 74.11 109.763 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.607 ' HB3' HD12 ' B' ' 16' ' ' ILE . 76.7 mt -73.51 -28.55 61.96 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.418 -0.81 . . . . 75.52 111.159 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -74.43 -34.55 63.25 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.701 0.8 . . . . 64.13 111.155 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -69.17 -43.72 73.69 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.04 -0.726 . . . . 74.43 109.04 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' B' ' 100' ' ' ILE . 85.7 m -62.98 -41.98 99.71 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 115.32 -0.854 . . . . 75.33 110.555 175.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.522 ' HA ' HD13 ' B' ' 20' ' ' ILE . 44.2 ttp85 -59.55 -47.0 87.23 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.707 0.803 . . . . 75.4 109.837 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -58.72 -47.66 83.81 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 114.355 -1.293 . . . . 72.3 111.229 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -73.1 -30.57 63.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.076 0.551 . . . . 65.45 111.911 -171.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -80.69 -46.32 15.75 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.768 0.427 . . . . 75.11 110.679 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -76.96 -33.45 57.65 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.553 -0.749 . . . . 71.52 110.86 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 . . . . . 0 CA--C 1.551 1.016 0 C-N-CA 124.198 0.999 . . . . 75.03 108.309 176.139 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.8 mm . . . . . 0 CA--C 1.553 1.068 0 N-CA-C 109.616 -0.513 . . . . 73.43 109.616 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -58.13 129.2 31.88 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 122.616 2.211 . . . . 74.34 112.036 -177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -58.24 -19.2 41.14 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 123.429 2.752 . . . . 73.44 113.18 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -61.43 -54.48 43.02 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.214 1.006 . . . . 73.23 110.074 173.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.51 -29.46 63.63 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.026 0.931 . . . . 75.22 111.399 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -74.77 -36.7 62.55 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.877 -0.601 . . . . 75.34 110.456 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.589 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 11.5 m-20 -77.37 -23.24 50.84 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.006 -0.543 . . . . 74.43 111.249 173.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.4 -40.44 94.37 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 109.683 -0.488 . . . . 74.3 109.683 168.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.43 0.75 15.95 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.013 0.925 . . . . 51.34 112.52 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.589 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 34.3 mmtp -75.74 86.69 2.76 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 108.638 -0.875 . . . . 75.13 108.638 170.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.495 HG12 HD13 ' B' ' 91' ' ' LEU . 14.5 m -136.61 152.31 29.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 C-N-CA 124.416 1.086 . . . . 73.33 108.777 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -75.67 169.97 17.09 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.175 -0.676 . . . . 74.12 109.175 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -56.26 -50.82 85.35 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 118.269 -0.872 . . . . 73.02 113.334 -175.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -63.19 -33.36 72.37 Favored 'Trans proline' 0 C--N 1.389 2.663 0 C-N-CA 121.595 1.53 . . . . 73.23 112.14 174.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' B' ' 83' ' ' VAL . 4.2 m -69.4 -30.37 68.32 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.236 1.014 . . . . 55.43 111.498 -175.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.484 ' HG ' HG21 ' B' ' 83' ' ' VAL . 13.3 mt -54.39 -51.96 63.2 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.177 0.991 . . . . 75.34 109.974 170.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -68.91 -30.35 68.81 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.079 -0.964 . . . . 75.41 111.677 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -65.07 -36.41 84.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.842 0.457 . . . . 70.45 111.797 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.495 HD13 HG12 ' B' ' 83' ' ' VAL . 90.6 mt -69.21 -36.4 77.22 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.911 0.484 . . . . 74.35 110.608 175.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.5 -44.91 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.745 0.818 . . . . 75.14 110.241 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.63 -38.15 80.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.902 0.881 . . . . 75.11 111.141 -178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.81 71.0 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.434 0.693 . . . . 72.33 111.29 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.86 -29.97 64.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.367 0.667 . . . . 74.21 111.683 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -73.04 -43.38 62.07 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.797 0.839 . . . . 63.2 109.92 173.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -64.02 -37.76 88.62 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.161 0.985 . . . . 72.15 111.174 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.441 HD21 HD23 ' B' ' 43' ' ' LEU . 86.1 mt -102.3 1.63 35.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.313 0.645 . . . . 73.12 112.408 -176.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 61.4 18.44 9.32 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.507 0.723 . . . . 64.43 112.89 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.643 HD13 ' SG ' ' B' ' 58' ' ' CYS . 48.2 mt -80.24 89.3 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.465 0 N-CA-C 108.538 -0.912 . . . . 72.25 108.538 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . 0.443 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 42.0 mtpt -69.36 -33.19 3.7 Favored Pre-proline 0 CA--C 1.553 1.07 0 CA-C-O 117.616 -1.183 . . . . 73.33 113.445 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -47.96 -39.45 32.5 Favored 'Trans proline' 0 C--N 1.397 3.081 0 C-N-CA 121.941 1.76 . . . . 74.34 112.989 166.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 34.0 tp -80.96 -49.08 11.4 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.103 0.561 . . . . 75.21 110.957 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.443 ' HB3' ' HA ' ' B' ' 101' ' ' LYS . 54.6 tp -56.6 -48.54 77.19 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.399 1.079 . . . . 72.23 111.27 -173.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' B' ' 109' ' ' LYS . 29.1 t70 -62.23 -50.97 69.64 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.573 1.17 . . . . 75.31 110.702 -176.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.28 -45.36 96.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 O-C-N 124.109 0.88 . . . . 74.3 112.05 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.479 HG21 ' HB2' ' B' ' 91' ' ' LEU . 57.0 m -66.58 -46.8 74.78 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.486 0.314 . . . . 75.44 111.039 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 72.9 m -67.03 -29.41 69.22 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.742 -0.663 . . . . 65.22 111.198 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' B' ' 105' ' ' ASP . 0.8 OUTLIER -72.28 -46.9 53.88 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.264 -0.643 . . . . 73.22 109.264 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 96.6 m -61.46 -50.41 72.88 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.206 0.941 . . . . 64.03 111.28 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.43 -33.56 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 O-C-N 123.428 0.455 . . . . 70.44 110.681 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.11 -35.52 69.19 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.242 0.617 . . . . 74.33 111.22 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.513 ' HA ' ' HB3' ' B' ' 116' ' ' ARG . 88.8 m-20 -72.5 -25.03 61.25 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.316 0.646 . . . . 73.33 111.28 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 48.0 mtm -63.21 -38.16 90.07 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.725 0.41 . . . . 75.32 110.712 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 29.8 pt -94.11 -23.18 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.131 0.572 . . . . 70.32 111.084 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . 0.513 ' HB3' ' HA ' ' B' ' 113' ' ' ASN . 60.2 ttt180 . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 124.324 1.049 . . . . 75.33 110.813 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 110.045 -0.354 . . . . 73.54 110.045 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 38' ' ' ASP . 21.9 m -69.28 121.22 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.472 0.653 . . . . 64.53 109.441 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.543 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 64.9 mttm -81.13 83.42 6.79 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.925 -1.034 . . . . 74.43 110.517 -171.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.2 mt -76.0 86.85 2.92 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.457 0.646 . . . . 74.43 110.161 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.16 113.63 16.28 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.708 -1.133 . . . . 70.44 109.751 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.8 p -72.91 175.2 6.79 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.601 0.76 . . . . 64.01 112.296 -176.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 t -61.17 -29.46 69.81 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.032 0.933 . . . . 74.33 110.892 172.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 32.4 t70 -87.95 11.95 14.54 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.059 0.944 . . . . 75.34 111.012 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 74.07 -2.39 2.8 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.667 1.587 . . . . 72.01 113.667 172.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -78.6 123.19 26.85 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 109.968 -0.382 . . . . 72.31 109.968 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.406 HG13 ' HB3' ' A' ' 5' ' ' LYS . 83.9 t -91.2 100.63 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.516 1.126 . . . . 64.11 110.619 -171.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -90.28 93.21 9.25 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.301 0.64 . . . . 75.53 110.166 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.539 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 46.3 mt-10 -74.1 83.97 1.81 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.258 -0.883 . . . . 75.24 109.962 176.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.3 tp -92.66 156.05 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.526 -0.916 . . . . 73.43 108.526 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.62 136.4 58.0 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 109.927 -0.397 . . . . 73.0 109.927 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -56.31 -41.23 75.64 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.056 0.942 . . . . 74.31 111.23 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -60.39 -32.32 71.2 Favored 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.234 0.959 . . . . 75.12 112.668 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 50.2 mt -81.18 -34.17 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.38 0.672 . . . . 73.53 110.052 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.19 -18.8 62.46 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.159 0.584 . . . . 71.55 111.52 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.1 m -71.32 -25.38 62.38 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.251 0.62 . . . . 71.44 111.636 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 86.6 mtp -61.02 -36.88 80.7 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.098 0.559 . . . . 75.55 110.311 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.479 ' HA ' HG12 ' A' ' 100' ' ' ILE . 47.4 t -68.79 109.41 3.85 Favored 'General case' 0 C--N 1.343 0.286 0 N-CA-C 108.41 -0.959 . . . . 74.12 108.41 168.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.446 ' HB ' ' HB2' ' A' ' 99' ' ' ASP . 95.5 t -61.97 -43.36 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 123.731 0.645 . . . . 73.44 110.595 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.425 HG22 ' HE2' ' A' ' 30' ' ' MET . 35.0 m -63.47 -50.38 69.92 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.465 0.706 . . . . 73.35 111.914 -179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.54 -41.22 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 C-N-CA 122.807 0.443 . . . . 74.45 110.113 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -61.77 -40.04 93.76 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.593 0.558 . . . . 74.24 110.465 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -69.61 -29.45 66.97 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.771 0.428 . . . . 75.23 111.026 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.425 ' HE2' HG22 ' A' ' 26' ' ' THR . 66.7 mtt -68.54 -39.55 81.06 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.195 0.598 . . . . 72.2 110.259 174.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.13 -52.94 52.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 124.042 0.937 . . . . 73.43 109.893 176.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.39 -28.95 69.63 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.575 1.15 . . . . 74.3 111.567 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.48 -44.07 97.27 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.724 0.81 . . . . 74.34 110.933 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.13 10.63 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 124.221 1.009 . . . . 72.51 109.403 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.95 -66.58 3.54 Favored Glycine 0 C--N 1.349 1.257 0 N-CA-C 109.547 -1.421 . . . . 71.31 109.547 -172.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -155.8 151.27 27.02 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 123.863 0.865 . . . . 73.44 109.157 168.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.6 m -143.9 89.21 2.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.521 0.729 . . . . 63.14 110.113 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.424 ' HA ' HG12 ' A' ' 4' ' ' VAL . 18.7 t70 -74.09 -27.04 60.7 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.215 1.006 . . . . 64.44 109.623 174.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.0 p -62.47 161.35 27.08 Favored Pre-proline 0 CA--C 1.565 1.549 0 C-N-CA 125.574 1.55 . . . . 75.13 112.641 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.543 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 9.4 Cg_endo -50.56 110.22 0.37 Allowed 'Trans proline' 0 C--N 1.391 2.779 0 C-N-CA 123.642 2.895 . . . . 73.04 114.851 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -89.79 112.55 52.66 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 108.732 -0.84 . . . . 75.01 108.732 173.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -82.49 129.51 5.8 Favored 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 122.728 2.285 . . . . 71.44 111.656 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.62 88.92 4.63 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 108.094 -1.076 . . . . 75.51 108.094 171.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.19 -12.82 21.16 Favored 'Trans proline' 0 C--N 1.379 2.177 0 C-N-CA 122.729 2.286 . . . . 72.3 113.263 -173.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -78.2 -58.21 3.38 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.152 0.581 . . . . 72.22 110.344 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.2 p -89.06 135.66 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 CA-C-O 121.133 0.492 . . . . 72.25 111.235 -172.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.9 p -80.07 175.17 10.87 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.085 0.954 . . . . 73.41 111.336 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 64.2 p -66.24 -47.76 72.74 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.9 0.88 . . . . 64.34 112.555 -174.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.1 p -59.26 -43.43 92.47 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.691 0.796 . . . . 73.42 111.46 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.509 HG23 HD23 ' A' ' 91' ' ' LEU . 46.4 mm -75.65 -47.94 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.242 -0.89 . . . . 72.42 110.276 -177.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.2 tp -61.77 -38.69 88.96 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.402 0.681 . . . . 64.02 111.185 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.19 -51.59 69.11 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.994 0.918 . . . . 63.53 110.61 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -61.9 -45.28 94.4 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 124.42 1.075 . . . . 74.23 111.35 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.28 -40.39 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 123.153 0.581 . . . . 75.34 111.143 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.1 mt -73.0 -35.17 66.78 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.018 0.527 . . . . 70.44 111.427 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.64 -32.64 66.05 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.278 0.631 . . . . 72.42 110.021 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -71.75 -46.85 57.15 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.163 0.585 . . . . 74.14 109.744 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.518 ' SG ' HG22 ' A' ' 100' ' ' ILE . 97.1 m -62.14 -32.0 72.54 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 123.759 0.662 . . . . 71.1 110.766 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 33.2 ttp180 -65.46 -45.94 81.8 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 123.551 0.532 . . . . 75.1 110.491 174.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -65.05 -35.29 80.68 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 123.273 0.358 . . . . 75.1 110.759 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -79.08 -15.84 57.61 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.368 0.667 . . . . 73.31 110.391 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.464 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 42.9 t60 -81.89 -35.36 29.31 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.222 0.609 . . . . 72.42 109.69 173.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 9.2 mm100 -71.05 -33.8 70.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 116.006 -0.543 . . . . 74.11 109.783 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 108.141 -1.059 . . . . 74.53 108.141 178.214 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 109.3 -0.63 . . . . 74.41 109.3 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.86 148.69 91.5 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.712 2.275 . . . . 73.21 111.9 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.93 -35.73 61.39 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.398 2.732 . . . . 70.44 113.761 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -56.27 -55.66 30.58 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 123.914 0.759 . . . . 73.35 110.739 175.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.74 -28.44 64.71 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 124.132 0.895 . . . . 75.0 110.912 -170.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -71.67 -51.03 25.15 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.533 0.733 . . . . 74.24 110.601 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -71.42 -22.27 61.87 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.246 0.619 . . . . 51.35 111.454 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.24 -45.95 89.77 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.795 0.838 . . . . 73.31 110.058 174.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.533 ' HB3' HG23 ' A' ' 110' ' ' THR . 67.4 m -70.62 -18.22 62.88 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 114.694 -1.139 . . . . 73.24 111.699 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -80.65 77.43 7.48 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 121.821 0.819 . . . . 73.33 110.064 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.39 173.59 11.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 C-N-CA 124.531 1.132 . . . . 74.33 108.754 174.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.7 158.87 29.06 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.628 -0.508 . . . . 74.41 109.628 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -62.58 -42.71 80.92 Favored Pre-proline 0 CA--C 1.572 1.803 0 CA-C-O 118.276 -0.869 . . . . 74.01 112.367 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.24 -43.89 32.14 Favored 'Trans proline' 0 C--N 1.393 2.879 0 C-N-CA 121.944 1.763 . . . . 64.53 111.966 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.0 m -65.29 -29.88 70.68 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.189 0.996 . . . . 65.31 111.288 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.5 tt -67.92 -44.93 75.74 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.194 0.998 . . . . 74.32 108.782 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -68.21 -30.37 69.43 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.606 -0.724 . . . . 75.31 111.166 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -61.98 -40.54 95.96 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.906 0.483 . . . . 74.43 111.006 173.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.509 HD23 HG23 ' A' ' 50' ' ' ILE . 98.5 mt -65.55 -42.64 91.65 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 123.481 0.488 . . . . 71.51 110.289 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.2 mt -60.49 -42.43 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.631 0.772 . . . . 74.31 110.629 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 99.3 mt -73.41 -27.86 61.68 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.787 0.835 . . . . 72.42 111.264 -178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.55 -45.54 68.54 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.887 0.475 . . . . 74.54 109.901 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.504 ' HB2' HD13 ' A' ' 103' ' ' LEU . . . -70.81 -27.81 64.17 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.582 0.753 . . . . 75.44 111.52 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -69.75 -41.76 74.78 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.531 1.132 . . . . 71.44 109.589 175.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -74.77 -35.11 62.55 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.442 1.097 . . . . 74.25 111.825 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.9 mt -100.87 -4.74 27.22 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.552 0.575 . . . . 74.15 112.552 -174.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.446 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 65.8 m-20 55.42 31.22 16.45 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.79 1.236 . . . . 52.24 112.346 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.518 HG22 ' SG ' ' A' ' 58' ' ' CYS . 59.3 mt -79.78 94.73 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 109.093 -0.706 . . . . 73.23 109.093 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -57.17 -43.31 99.19 Favored Pre-proline 0 CA--C 1.559 1.324 0 CA-C-O 117.119 -1.42 . . . . 71.3 112.682 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -49.35 -51.5 10.56 Favored 'Trans proline' 0 C--N 1.401 3.312 0 C-N-CA 122.491 2.127 . . . . 74.42 113.901 173.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.504 HD13 ' HB2' ' A' ' 95' ' ' ALA . 2.5 tm? -74.56 -41.05 61.22 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.133 0.573 . . . . 73.1 110.019 -174.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.474 HD12 HD12 ' B' ' 104' ' ' LEU . 43.6 tp -61.62 -47.47 85.26 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.808 0.843 . . . . 73.13 110.421 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.52 -52.58 65.04 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.044 -0.98 . . . . 64.24 110.66 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.11 -51.07 47.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 O-C-N 124.18 0.925 . . . . 64.25 112.413 -173.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.7 m -68.72 -40.34 79.96 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 122.725 0.41 . . . . 75.23 111.976 -171.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.5 m -70.87 -30.75 67.22 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.046 0.451 . . . . 73.32 110.94 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -74.87 -31.93 61.74 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.577 0.751 . . . . 73.53 110.497 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.533 HG23 ' HB3' ' A' ' 81' ' ' CYS . 98.8 m -69.54 -46.28 66.82 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.344 0.658 . . . . 55.51 110.66 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.44 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 6.2 p -63.48 -31.92 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-O 120.956 0.408 . . . . 74.43 110.128 178.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.2 -46.74 79.47 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.463 -0.789 . . . . 74.33 110.587 171.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.4 -34.06 73.39 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.241 0.616 . . . . 74.44 111.545 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.44 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 36.6 mtm -67.9 -43.47 79.2 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.037 0.535 . . . . 75.42 111.194 -178.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.9 pt -75.69 -29.48 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 122.94 0.15 . . . . 73.0 110.783 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -77.41 88.5 3.79 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.302 0.641 . . . . 71.32 109.752 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 N-CA-C 110.547 -1.021 . . . . 75.4 110.547 174.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.288 -0.264 . . . . 74.42 110.288 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.62 119.5 11.25 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.603 0.761 . . . . 74.33 109.979 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' B' ' 38' ' ' ASP . 22.0 m -70.04 120.92 18.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 121.516 0.674 . . . . 74.4 109.711 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.538 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 65.5 mttm -80.52 83.85 6.24 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.814 -1.085 . . . . 74.42 110.403 -171.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -76.14 86.81 3.0 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.292 0.567 . . . . 74.05 110.16 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.66 113.92 15.99 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.973 -1.012 . . . . 74.52 109.566 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.3 p -72.85 175.6 6.39 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.404 0.682 . . . . 75.24 112.455 -176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.0 t -60.81 -29.95 69.78 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.926 -1.033 . . . . 75.31 110.999 172.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . 0.436 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 32.9 t70 -88.87 13.68 12.1 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.358 1.063 . . . . 61.32 110.911 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 72.63 -2.31 2.7 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 125.577 1.551 . . . . 74.54 113.667 172.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -78.8 122.79 26.49 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.174 0.443 . . . . 65.41 109.818 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.2 t -90.31 103.71 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.54 1.136 . . . . 70.54 110.397 -172.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -93.13 92.82 7.96 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.71 0.804 . . . . 75.31 110.202 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.538 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 46.8 mt-10 -73.56 84.33 1.54 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.367 -0.833 . . . . 50.23 110.321 176.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.4 tp -93.16 155.95 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 108.533 -0.914 . . . . 74.44 108.533 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.9 135.73 57.69 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 109.717 -0.475 . . . . 74.54 109.717 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -55.54 -41.69 73.56 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.513 1.125 . . . . 75.33 111.176 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -59.22 -33.81 71.43 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.258 1.023 . . . . 74.23 112.407 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 50.0 mt -80.41 -34.22 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.557 0.743 . . . . 73.14 110.046 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.35 -18.69 62.36 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.291 0.637 . . . . 74.41 111.558 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 73.1 m -71.27 -25.2 62.35 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.04 0.536 . . . . 73.44 111.539 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' MET . . . . . 0.444 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 86.1 mtp -61.7 -36.34 80.63 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 121.221 0.534 . . . . 73.23 110.266 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.479 ' HA ' HG12 ' B' ' 100' ' ' ILE . 47.3 t -69.04 109.02 3.78 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.316 -0.994 . . . . 55.13 108.316 168.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.469 ' HB ' ' HB2' ' B' ' 99' ' ' ASP . 91.6 t -61.5 -43.81 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 123.786 0.679 . . . . 74.35 110.609 -177.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.415 HG22 ' HE2' ' B' ' 30' ' ' MET . 35.6 m -63.09 -50.28 71.16 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.417 0.687 . . . . 75.2 111.9 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 81.9 mt -62.6 -40.93 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 122.876 0.471 . . . . 74.24 110.272 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -62.06 -40.05 94.47 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 123.011 0.525 . . . . 74.24 110.412 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -69.43 -29.85 67.66 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.63 0.372 . . . . 73.24 111.195 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.415 ' HE2' HG22 ' B' ' 26' ' ' THR . 66.0 mtt -68.16 -39.43 82.59 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.33 0.652 . . . . 75.5 110.248 174.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.29 -52.85 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 124.011 0.924 . . . . 74.21 109.937 176.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.13 -28.73 69.63 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.481 1.112 . . . . 75.33 111.413 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.5 -43.52 96.97 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.648 0.779 . . . . 73.41 110.934 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 27.9 mt -91.53 9.26 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 CA-C-N 114.986 -1.006 . . . . 71.52 109.372 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.9 -65.79 3.2 Favored Glycine 0 C--N 1.347 1.147 0 N-CA-C 110.051 -1.22 . . . . 61.11 110.051 -173.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -157.0 149.32 23.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.714 0.805 . . . . 72.41 108.917 167.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 74.6 m -142.37 89.62 2.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.489 0.716 . . . . 72.31 110.412 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.428 ' HA ' HG12 ' B' ' 4' ' ' VAL . 18.1 t70 -74.03 -27.84 61.14 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.123 0.969 . . . . 73.12 109.641 174.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.2 p -61.99 160.12 31.96 Favored Pre-proline 0 CA--C 1.564 1.483 0 C-N-CA 125.713 1.605 . . . . 75.44 112.735 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . 0.529 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 9.7 Cg_endo -49.71 110.42 0.37 Allowed 'Trans proline' 0 C--N 1.391 2.81 0 C-N-CA 123.677 2.918 . . . . 75.12 114.874 -177.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mm -89.94 112.12 50.41 Favored Pre-proline 0 CA--C 1.545 0.786 0 N-CA-C 108.851 -0.796 . . . . 74.33 108.851 173.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -82.5 129.54 5.79 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.826 2.351 . . . . 72.32 111.405 177.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.41 88.99 4.47 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 108.071 -1.085 . . . . 73.33 108.071 171.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.41 -11.68 20.75 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.816 2.344 . . . . 73.01 113.415 -173.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -79.47 -57.3 3.76 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.349 0.659 . . . . 54.53 110.536 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 11.3 p -89.49 134.23 29.31 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 CA-C-N 115.984 -0.553 . . . . 72.13 111.235 -172.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.5 p -78.85 174.77 11.15 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.236 1.014 . . . . 74.3 111.158 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.436 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.9 p -66.69 -46.71 74.72 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.592 0.757 . . . . 70.32 112.488 -173.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 58.4 p -59.41 -43.41 93.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.642 0.777 . . . . 64.21 111.554 -175.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.514 HG23 HD23 ' B' ' 91' ' ' LEU . 46.1 mm -75.46 -47.92 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.23 -0.895 . . . . 75.33 110.34 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.89 -39.35 91.65 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.349 0.66 . . . . 73.53 111.168 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.59 -51.49 69.29 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.156 0.982 . . . . 74.12 110.525 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -62.01 -44.96 95.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.843 -1.072 . . . . 74.13 111.536 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.8 -39.78 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.124 0.57 . . . . 72.54 111.029 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.95 -35.81 67.04 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.073 0.549 . . . . 74.23 111.403 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -72.58 -32.6 66.13 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.241 0.616 . . . . 73.13 110.162 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -71.52 -46.91 58.35 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.932 -0.576 . . . . 74.42 109.805 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.513 ' SG ' HG22 ' B' ' 100' ' ' ILE . 97.2 m -62.2 -31.64 72.19 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.78 0.675 . . . . 73.13 110.781 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 34.0 ttp180 -65.85 -45.88 80.53 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.614 0.571 . . . . 75.11 110.339 174.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -64.67 -35.47 81.13 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.32 0.388 . . . . 74.04 110.799 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -79.29 -15.5 57.86 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.669 0.787 . . . . 74.53 110.511 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . 0.444 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 45.7 t60 -81.66 -36.45 28.77 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.29 0.636 . . . . 72.22 109.596 172.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 8.8 mm100 -70.53 -34.38 72.22 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.652 0.595 . . . . 74.23 109.619 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 108.248 -1.019 . . . . 74.14 108.248 178.242 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 65.0 mt . . . . . 0 CA--C 1.547 0.859 0 CA-C-O 118.66 -0.686 . . . . 74.22 109.275 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.25 148.08 93.86 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.653 2.235 . . . . 71.41 112.084 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.54 -34.61 52.88 Favored 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 123.539 2.826 . . . . 64.24 113.829 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -57.09 -55.92 28.41 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 123.039 0.535 . . . . 74.54 110.784 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.39 -28.22 64.92 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.074 0.95 . . . . 62.43 110.942 -170.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -71.87 -51.42 22.42 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.476 0.711 . . . . 73.53 110.625 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -71.17 -22.59 62.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.288 0.635 . . . . 74.32 111.509 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -59.07 -46.03 89.3 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.954 0.902 . . . . 74.42 109.992 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . 0.529 ' HB3' HG23 ' B' ' 110' ' ' THR . 69.9 m -70.52 -18.39 62.94 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.718 -1.128 . . . . 72.22 111.596 -178.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -79.76 75.52 6.44 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 121.663 0.744 . . . . 75.11 110.684 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 m -123.7 174.3 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.183 0.993 . . . . 55.23 108.781 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.86 157.83 29.49 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.695 -0.483 . . . . 73.3 109.695 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -61.7 -43.03 86.66 Favored Pre-proline 0 CA--C 1.569 1.683 0 CA-C-O 118.428 -0.796 . . . . 74.15 112.281 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.39 -44.12 35.43 Favored 'Trans proline' 0 C--N 1.396 3.041 0 C-N-CA 121.858 1.705 . . . . 74.21 112.23 169.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 14.0 m -66.07 -29.42 69.75 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.98 0.912 . . . . 63.23 111.336 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.51 -45.12 76.71 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.154 0.981 . . . . 73.44 108.79 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -68.46 -30.35 69.19 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.631 -0.713 . . . . 74.23 111.093 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -61.99 -40.29 95.12 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.837 0.455 . . . . 72.24 111.027 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.514 HD23 HG23 ' B' ' 50' ' ' ILE . 98.3 mt -65.81 -42.61 90.44 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.575 0.547 . . . . 72.34 110.324 175.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.24 -42.32 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.596 0.758 . . . . 73.55 110.686 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.73 -27.67 61.31 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.67 0.788 . . . . 75.2 111.217 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.64 67.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.858 0.463 . . . . 75.44 109.789 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.505 ' HB2' HD13 ' B' ' 103' ' ' LEU . . . -70.47 -28.09 64.74 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.644 0.777 . . . . 74.44 111.441 177.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -69.9 -41.75 74.3 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.514 1.125 . . . . 65.45 109.431 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -74.74 -34.94 62.63 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.42 1.088 . . . . 72.44 111.646 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.99 -4.69 27.02 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 112.436 0.532 . . . . 72.33 112.436 -173.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.469 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 65.4 m-20 55.81 30.03 15.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.869 1.268 . . . . 74.01 112.526 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.513 HG22 ' SG ' ' B' ' 58' ' ' CYS . 60.0 mt -78.85 94.58 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 109.185 -0.672 . . . . 75.52 109.185 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -56.61 -42.94 98.84 Favored Pre-proline 0 CA--C 1.562 1.405 0 CA-C-O 117.222 -1.37 . . . . 73.43 112.975 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -49.4 -51.95 9.72 Favored 'Trans proline' 0 C--N 1.401 3.3 0 C-N-CA 122.613 2.209 . . . . 64.35 113.935 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' B' ' 95' ' ' ALA . 2.5 tm? -74.57 -40.81 61.41 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.148 0.579 . . . . 72.3 109.935 -174.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.474 HD12 HD12 ' A' ' 104' ' ' LEU . 42.9 tp -61.53 -47.63 84.7 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.78 0.832 . . . . 75.24 110.53 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.92 -52.58 65.15 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 114.957 -1.02 . . . . 70.12 110.695 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 76.1 t -68.32 -51.28 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 123.995 0.809 . . . . 75.15 112.31 -174.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 32.2 m -68.67 -40.05 80.31 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 122.792 0.437 . . . . 64.34 112.096 -171.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 72.8 m -71.24 -30.83 66.81 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 120.937 0.399 . . . . 64.32 111.014 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -74.81 -31.91 61.83 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.573 0.749 . . . . 71.12 110.568 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' THR . . . . . 0.529 HG23 ' HB3' ' B' ' 81' ' ' CYS . 99.7 m -69.3 -46.25 67.63 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 123.476 0.711 . . . . 70.51 110.647 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.431 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 6.7 p -63.87 -31.98 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-O 120.899 0.38 . . . . 75.35 110.101 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.05 78.32 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 115.435 -0.802 . . . . 73.31 110.571 171.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.01 -34.44 73.35 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.114 0.566 . . . . 62.31 111.318 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.431 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 35.2 mtm -67.59 -43.85 79.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.082 0.553 . . . . 75.35 111.019 -178.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.0 pt -75.25 -29.47 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 122.225 0.21 . . . . 62.23 110.487 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 . . . . . 0 N--CA 1.471 0.606 0 C-N-CA 123.09 0.556 . . . . 74.0 109.851 178.136 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 84.0 mt . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 109.752 -0.462 . . . . 74.04 109.752 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.2 m -79.15 127.22 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 121.337 0.589 . . . . 75.14 109.853 173.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 65.3 mttm -79.94 91.82 5.47 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.309 1.044 . . . . 75.34 110.634 -173.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.581 HD23 HD12 ' A' ' 27' ' ' ILE . 10.7 mp -89.78 90.92 8.41 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.098 0.559 . . . . 75.04 109.739 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -77.65 126.3 30.67 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.697 -0.683 . . . . 73.21 109.331 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.1 p -79.18 174.71 11.29 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.053 0.941 . . . . 75.11 110.767 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.5 p -66.14 -21.03 66.32 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.323 0.649 . . . . 72.23 111.244 173.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.52 13.85 9.36 Favored 'General case' 0 CA--C 1.562 1.408 0 C-N-CA 123.848 0.859 . . . . 72.12 110.779 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 67.97 10.86 8.08 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 125.144 1.377 . . . . 74.34 113.057 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -90.34 122.45 33.24 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.58 -0.526 . . . . 73.42 109.58 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.6 t -90.24 98.68 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 123.792 0.837 . . . . 75.44 110.204 -172.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -90.72 96.0 10.42 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.532 0.733 . . . . 75.31 109.45 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.489 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 39.3 mt-10 -78.89 85.29 4.87 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 114.95 -1.023 . . . . 73.35 109.888 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.548 HD13 ' HB3' ' A' ' 55' ' ' LEU . 6.8 tt -86.45 156.11 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.612 0.765 . . . . 74.52 109.579 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.82 134.32 56.92 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 123.56 0.744 . . . . 73.23 109.587 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -63.08 -38.55 91.64 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.328 1.051 . . . . 73.31 112.508 -169.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -64.39 -31.13 72.21 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.206 0.603 . . . . 71.35 111.664 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.0 mt -81.54 -34.04 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 123.652 0.781 . . . . 71.2 110.973 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -27.72 69.53 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.105 0.562 . . . . 75.42 111.794 177.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 81.1 m -66.56 -22.17 66.15 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.046 0.938 . . . . 73.24 112.714 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.488 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 77.6 mtp -63.91 -25.55 68.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.159 0.584 . . . . 72.25 112.101 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 t -80.93 130.17 34.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.573 -0.899 . . . . 72.31 108.573 169.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 57.3 t -63.07 -51.99 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 123.579 0.549 . . . . 75.33 110.108 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.437 ' HB ' ' HA ' ' A' ' 98' ' ' LEU . 87.8 m -60.88 -47.38 86.65 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 123.906 0.754 . . . . 74.12 112.023 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.581 HD12 HD23 ' A' ' 6' ' ' LEU . 83.6 mt -64.73 -42.54 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 122.541 0.337 . . . . 73.2 110.574 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -58.9 -47.58 84.48 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.461 0.704 . . . . 74.31 110.171 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -67.11 -30.41 70.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.342 1.057 . . . . 64.23 111.288 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.2 mmt -65.31 -50.51 65.4 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.475 -0.565 . . . . 73.03 109.475 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.57 -45.01 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.665 0.786 . . . . 72.21 110.248 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.71 -42.2 86.74 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.525 0.73 . . . . 75.22 111.828 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.34 -41.73 89.15 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.721 0.809 . . . . 72.3 110.759 -177.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.5 mt -71.14 -22.32 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.065 0.946 . . . . 74.31 110.515 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.37 60.16 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-N 116.344 -0.389 . . . . 61.43 112.334 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 75.63 116.52 0.06 Allowed 'General case' 0 C--N 1.353 0.724 0 C-N-CA 126.377 1.871 . . . . 75.04 110.633 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.4 m -144.56 150.24 37.16 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.132 0.973 . . . . 63.51 109.387 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -81.48 -3.35 52.79 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.334 0.654 . . . . 72.02 111.074 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 m -52.68 131.07 46.63 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.654 1.181 . . . . 75.12 111.436 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.494 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 33.3 Cg_exo -59.5 106.76 0.33 Allowed 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.633 2.222 . . . . 61.43 111.421 176.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.6 mm -66.62 110.2 4.54 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 124.108 0.963 . . . . 75.32 110.152 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -84.31 133.19 5.4 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.293 1.995 . . . . 75.5 111.556 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -118.47 89.43 36.54 Favored Pre-proline 0 CA--C 1.547 0.863 0 N-CA-C 108.483 -0.932 . . . . 73.12 108.483 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -81.61 57.47 6.38 Favored 'Trans proline' 0 C--N 1.378 2.123 0 C-N-CA 123.516 2.81 . . . . 73.45 112.352 -174.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -159.88 -62.47 0.07 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.493 -0.928 . . . . 74.23 108.493 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.02 124.21 37.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 115.623 -0.717 . . . . 75.35 110.018 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.5 p -76.96 175.08 9.88 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.916 0.886 . . . . 74.44 110.731 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 p -64.93 -46.64 80.8 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.853 0.461 . . . . 72.45 111.946 -175.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.9 p -61.39 -43.66 98.48 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.532 0.733 . . . . 73.31 111.222 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.608 HG21 HD22 ' A' ' 91' ' ' LEU . 51.8 mm -73.07 -44.57 56.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.737 -0.665 . . . . 73.33 110.409 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 tp -65.02 -34.09 77.61 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.947 0.499 . . . . 64.34 110.952 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.14 -50.58 72.38 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.037 0.935 . . . . 63.11 109.767 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' HD2' HD21 ' A' ' 91' ' ' LEU . 67.6 mttm -61.62 -48.31 81.47 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.31 1.006 . . . . 75.3 111.249 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.469 HG11 HD11 ' A' ' 98' ' ' LEU . 55.6 t -58.61 -49.03 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.256 -0.883 . . . . 73.44 111.015 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.548 ' HB3' HD13 ' A' ' 16' ' ' ILE . 68.9 mt -71.13 -29.57 65.4 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.64 0.587 . . . . 75.34 111.976 -176.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -72.09 -40.05 68.49 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.174 0.589 . . . . 73.31 109.416 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -71.54 -37.4 71.14 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.296 0.638 . . . . 75.5 110.925 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 96.3 m -60.99 -39.53 90.01 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.569 0.543 . . . . 63.23 109.677 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 44.3 ttm180 -61.68 -48.1 82.3 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 122.913 0.485 . . . . 74.5 110.85 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -54.46 -48.71 71.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.626 0.77 . . . . 73.24 111.635 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.468 ' HB3' ' HE3' ' A' ' 23' ' ' MET . 64.4 t-80 -75.09 -17.33 60.47 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.224 -0.898 . . . . 73.32 110.887 -178.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.488 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 16.9 t60 -80.92 -40.32 24.79 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.799 0.44 . . . . 73.35 110.16 176.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 10.9 mm100 -75.6 -27.88 58.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.454 0.702 . . . . 74.14 110.234 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 . . . . . 0 CA--C 1.551 1.013 0 N-CA-C 108.411 -0.959 . . . . 75.11 108.411 173.754 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mm . . . . . 0 CA--C 1.557 1.215 0 CA-C-O 119.153 -0.451 . . . . 74.21 110.528 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.74 154.11 51.56 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 123.152 2.568 . . . . 65.1 112.945 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.65 -37.98 54.54 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 123.843 3.029 . . . . 72.24 113.267 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -53.3 -50.91 63.94 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.912 0.757 . . . . 73.22 111.66 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.22 -33.38 74.31 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.844 0.857 . . . . 74.21 111.023 -172.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -64.39 -49.02 73.24 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.454 -0.794 . . . . 73.22 109.975 173.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.85 -23.47 63.29 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.553 -0.748 . . . . 64.41 112.182 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -64.74 -42.68 95.02 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.752 0.821 . . . . 73.21 109.59 172.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.42 ' HB3' HG23 ' A' ' 110' ' ' THR . 84.9 m -79.2 -17.68 54.4 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.017 -0.992 . . . . 72.22 111.946 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -76.33 82.22 3.09 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.406 -0.59 . . . . 71.1 109.406 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.1 m -126.45 175.62 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.05 0.94 . . . . 74.04 109.722 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.49 151.4 46.46 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 109.163 -0.681 . . . . 71.44 109.163 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -53.36 61.06 Favored Pre-proline 0 CA--C 1.568 1.67 0 CA-C-O 118.374 -0.822 . . . . 72.22 112.167 -164.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.483 ' HA ' HD11 ' B' ' 115' ' ' ILE . 36.5 Cg_endo -66.5 -30.27 43.73 Favored 'Trans proline' 0 C--N 1.387 2.563 0 CA-C-N 121.557 1.592 . . . . 71.14 113.072 172.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.3 m -61.31 -31.29 71.14 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.947 0.899 . . . . 72.0 111.372 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.69 -43.22 98.02 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.806 0.842 . . . . 71.55 109.413 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.486 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 41.7 m-85 -74.63 -31.1 61.88 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.633 -0.712 . . . . 72.52 111.706 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 37.2 mm-40 -63.84 -32.01 73.38 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.858 0.463 . . . . 63.22 110.33 173.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.608 HD22 HG21 ' A' ' 50' ' ' ILE . 69.7 mt -71.49 -36.78 71.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.83 0.852 . . . . 71.34 111.264 172.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.68 -43.08 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 123.428 0.691 . . . . 75.23 110.005 174.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 84.2 mt -69.56 -37.78 77.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.686 0.795 . . . . 72.52 110.662 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.97 -32.3 61.66 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.564 0.746 . . . . 70.14 111.616 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.468 ' HB1' HD22 ' A' ' 103' ' ' LEU . . . -74.21 -28.51 61.29 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.125 0.57 . . . . 75.2 111.08 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -78.84 -36.74 41.99 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.697 0.799 . . . . 55.31 110.287 171.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -65.63 -37.93 87.98 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.554 1.142 . . . . 74.54 111.129 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.469 HD11 HG11 ' A' ' 54' ' ' VAL . 87.9 mt -100.68 -9.33 21.96 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.818 0.847 . . . . 75.45 111.088 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.496 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 29.9 t0 59.57 37.19 22.76 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.346 1.458 . . . . 71.11 112.35 173.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -83.41 105.12 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.806 -0.813 . . . . 65.33 108.806 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -59.13 -48.66 96.04 Favored Pre-proline 0 CA--C 1.565 1.554 0 CA-C-O 117.931 -1.033 . . . . 72.15 112.602 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.81 -50.7 10.83 Favored 'Trans proline' 0 C--N 1.402 3.354 0 C-N-CA 122.324 2.016 . . . . 75.03 112.679 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.468 HD22 ' HB1' ' A' ' 95' ' ' ALA . 3.6 tt -65.22 -43.97 89.76 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.945 0.498 . . . . 73.33 110.23 -175.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.54 HD22 HD22 ' B' ' 104' ' ' LEU . 40.5 tp -63.04 -41.7 99.56 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.154 0.582 . . . . 73.11 110.666 -178.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.94 -53.08 35.33 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.55 0.532 . . . . 71.25 110.187 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.58 -47.41 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.782 0.833 . . . . 75.23 111.66 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.0 m -72.13 -39.89 68.5 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.83 0.452 . . . . 73.34 111.701 -175.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 82.6 m -67.45 -30.88 70.72 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.492 0.317 . . . . 72.42 111.121 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -71.71 -39.13 70.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.236 0.614 . . . . 75.52 110.188 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.42 HG23 ' HB3' ' A' ' 81' ' ' CYS . 98.8 m -57.03 -48.01 79.53 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.208 0.603 . . . . 74.02 111.413 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.502 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 7.7 p -72.75 -35.15 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 116.344 -0.389 . . . . 74.31 111.219 177.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 116' ' ' ARG . . . -60.83 -48.03 83.67 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 123.144 0.578 . . . . 60.42 111.024 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -59.72 -28.42 67.33 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.95 0.9 . . . . 74.4 112.392 -173.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.502 ' HE3' ' HA ' ' A' ' 111' ' ' VAL . 43.1 mtm -66.78 -43.83 82.95 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.175 0.59 . . . . 73.43 110.372 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.5 pt -101.38 -2.95 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.057 0.943 . . . . 74.45 111.84 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 112' ' ' ALA . 1.8 tmt_? -96.98 41.13 1.12 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 108.14 -1.059 . . . . 70.14 108.14 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.509 0 N-CA-C 116.206 1.242 . . . . 61.33 116.206 178.089 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.055 0.455 . . . . 72.23 110.641 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.488 ' HB3' ' HB3' ' B' ' 15' ' ' GLU . 88.0 mt -88.86 118.73 28.78 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.288 -0.869 . . . . 73.05 109.811 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.2 m -78.86 126.44 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-O 121.204 0.526 . . . . 72.24 109.914 173.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.498 ' HB2' ' HA ' ' B' ' 40' ' ' PRO . 64.6 mttm -78.84 92.09 4.82 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.336 1.054 . . . . 74.11 110.736 -174.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.583 HD23 HD12 ' B' ' 27' ' ' ILE . 10.6 mp -89.73 91.03 8.48 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.619 -0.511 . . . . 73.51 109.619 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.9 126.6 31.08 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.749 -0.66 . . . . 75.22 109.51 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.2 p -79.46 175.63 10.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.983 0.913 . . . . 74.0 110.752 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.2 p -67.24 -21.02 65.75 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.492 0.717 . . . . 71.02 111.491 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -87.43 13.56 9.76 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 123.981 0.912 . . . . 65.13 110.732 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 68.2 10.9 8.12 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.109 1.364 . . . . 73.12 113.07 173.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -90.62 122.6 33.55 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.853 0.461 . . . . 72.35 109.82 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 48.8 t -89.78 98.05 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 123.997 0.919 . . . . 74.31 110.596 -173.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -90.32 96.76 10.82 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.501 0.72 . . . . 73.34 109.242 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.495 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 39.5 mt-10 -80.52 84.73 6.06 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.372 -0.831 . . . . 72.15 109.798 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.546 HD13 ' HB3' ' B' ' 55' ' ' LEU . 6.7 tt -85.72 155.92 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 115.637 -0.71 . . . . 72.34 109.621 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.05 133.51 56.16 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 123.574 0.75 . . . . 75.11 109.759 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -62.1 -39.2 91.69 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.466 1.106 . . . . 73.21 112.52 -169.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.72 -31.38 72.53 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.346 0.658 . . . . 73.3 111.873 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mt -81.66 -33.6 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.704 0.802 . . . . 75.4 110.907 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.68 69.4 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.011 0.524 . . . . 75.43 111.849 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 64.2 m -66.62 -22.68 66.11 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.126 0.971 . . . . 70.42 112.63 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' MET . . . . . 0.487 ' HE3' ' HB3' ' B' ' 61' ' ' HIS . 80.3 mtp -62.4 -29.64 70.64 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.289 0.635 . . . . 72.4 111.87 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.406 ' HA ' HG12 ' B' ' 100' ' ' ILE . 29.1 t -77.66 129.36 35.47 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.61 -0.885 . . . . 74.4 108.61 170.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 58.5 t -63.83 -50.52 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 123.705 0.628 . . . . 72.13 110.133 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.453 ' HB ' ' HA ' ' B' ' 98' ' ' LEU . 87.4 m -61.43 -47.99 83.24 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.341 0.656 . . . . 72.53 112.091 -177.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.583 HD12 HD23 ' B' ' 6' ' ' LEU . 83.2 mt -64.25 -42.37 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 122.623 0.369 . . . . 73.3 110.497 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -59.08 -47.6 84.65 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.364 0.665 . . . . 74.4 110.276 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -66.91 -30.4 70.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.181 0.992 . . . . 75.42 111.31 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 21.9 mmt -65.1 -50.47 65.98 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 109.605 -0.517 . . . . 73.12 109.605 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -59.05 -44.65 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.649 0.78 . . . . 75.4 110.225 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -66.54 -41.71 88.29 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.36 0.664 . . . . 75.14 111.628 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.64 -42.15 82.74 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.692 0.797 . . . . 71.3 110.741 -176.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 86.4 mt -69.84 -23.04 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 CA-C-N 115.019 -0.991 . . . . 74.33 110.471 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.71 18.62 58.05 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.208 -0.451 . . . . 75.43 112.261 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 74.7 114.95 0.06 Allowed 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.328 1.851 . . . . 74.21 111.114 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 66.2 m -143.38 151.0 39.9 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 124.284 1.034 . . . . 64.03 109.567 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -81.1 -5.11 57.27 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.594 0.758 . . . . 64.32 111.064 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -51.86 131.04 38.65 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.384 1.073 . . . . 64.31 111.457 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . 0.498 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 32.4 Cg_exo -59.62 106.37 0.31 Allowed 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.755 2.303 . . . . 72.1 111.726 177.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 45.5 mm -66.54 109.77 3.88 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 124.118 0.967 . . . . 74.22 110.099 -177.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.65 132.69 4.96 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 122.314 2.009 . . . . 72.41 111.281 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.4 mt -117.7 89.71 33.82 Favored Pre-proline 0 CA--C 1.55 0.95 0 N-CA-C 108.701 -0.851 . . . . 71.15 108.701 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -81.38 57.4 6.41 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.722 2.948 . . . . 71.23 112.585 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -159.83 -63.69 0.07 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.326 -0.99 . . . . 72.41 108.326 -175.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -78.7 124.33 36.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 CA-C-N 115.817 -0.629 . . . . 73.51 110.175 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 73.8 p -76.54 175.1 9.56 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.888 0.875 . . . . 64.4 110.972 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 71.1 p -65.22 -46.1 82.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.943 0.497 . . . . 74.2 111.897 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.405 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 35.2 p -61.1 -43.86 98.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.521 0.729 . . . . 72.24 111.188 -178.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.612 HG21 HD22 ' B' ' 91' ' ' LEU . 51.7 mm -73.67 -44.66 52.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 115.689 -0.687 . . . . 74.55 110.404 -175.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.79 -34.08 77.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.039 0.536 . . . . 75.03 110.753 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.0 -51.41 69.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.916 0.886 . . . . 71.1 109.357 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.503 ' HD2' HD21 ' B' ' 91' ' ' LEU . 67.4 mttm -60.58 -48.8 80.15 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.294 -0.867 . . . . 73.14 111.303 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.485 HG11 HD11 ' B' ' 98' ' ' LEU . 55.5 t -58.33 -49.4 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 124.323 1.014 . . . . 74.02 111.084 -174.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.546 ' HB3' HD13 ' B' ' 16' ' ' ILE . 68.7 mt -70.62 -29.42 65.8 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.222 0.609 . . . . 73.53 112.061 -175.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -72.48 -39.75 67.46 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.4 0.68 . . . . 74.13 109.694 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -72.11 -37.2 69.55 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.699 -0.682 . . . . 74.35 111.009 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 95.3 m -60.99 -39.84 91.21 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.632 0.582 . . . . 72.55 109.664 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 45.0 ttm180 -61.52 -47.87 83.62 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.414 0.446 . . . . 75.22 110.852 175.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -54.58 -48.77 71.7 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.625 0.77 . . . . 72.34 111.581 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.487 ' HB3' ' HE3' ' B' ' 23' ' ' MET . 65.2 t-80 -74.95 -16.87 60.63 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.245 -0.889 . . . . 74.43 111.019 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . 0.48 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 15.7 t60 -82.09 -38.45 24.84 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.974 0.51 . . . . 71.44 110.497 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 10.6 mm100 -76.29 -27.96 56.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.46 0.704 . . . . 73.02 110.162 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 . . . . . 0 CA--C 1.551 1.01 0 N-CA-C 108.408 -0.96 . . . . 75.11 108.408 173.729 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 37.8 mm . . . . . 0 CA--C 1.553 1.063 0 CA-C-O 119.462 -0.304 . . . . 73.22 110.314 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.9 152.61 56.59 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.188 2.592 . . . . 73.54 112.932 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -49.0 -39.64 40.59 Favored 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 123.554 2.836 . . . . 70.03 113.24 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -52.27 -51.09 60.48 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.463 0.705 . . . . 73.41 111.742 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.48 -32.94 74.12 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.866 0.866 . . . . 62.32 111.242 -172.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -64.95 -48.45 74.02 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.408 -0.815 . . . . 72.25 109.975 173.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -70.34 -23.65 62.85 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.837 0.71 . . . . 70.22 111.915 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -64.57 -42.31 95.72 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.639 0.776 . . . . 63.44 109.652 172.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . 0.407 ' HB3' HG23 ' B' ' 110' ' ' THR . 73.8 m -80.06 -15.49 57.06 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.169 -0.923 . . . . 63.12 111.887 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -77.9 83.37 4.23 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 109.388 -0.597 . . . . 72.33 109.388 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 24.7 m -127.91 175.44 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.149 0.98 . . . . 71.11 109.934 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.9 151.21 46.23 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.605 0.762 . . . . 72.24 109.244 175.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -54.79 49.21 Favored Pre-proline 0 CA--C 1.567 1.602 0 CA-C-O 118.378 -0.82 . . . . 74.15 112.218 -165.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . 0.412 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 38.1 Cg_endo -66.69 -29.43 43.1 Favored 'Trans proline' 0 C--N 1.387 2.574 0 CA-C-N 121.585 1.602 . . . . 75.14 112.621 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -60.84 -31.38 70.82 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.043 0.937 . . . . 75.32 111.39 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.13 -43.19 99.27 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.133 0.973 . . . . 74.31 109.392 175.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.448 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 48.8 m-85 -73.81 -31.09 63.07 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.563 -0.744 . . . . 64.21 111.552 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 37.2 mm-40 -64.15 -32.25 73.75 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.931 0.492 . . . . 72.52 110.492 174.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.612 HD22 HG21 ' B' ' 50' ' ' ILE . 70.2 mt -71.34 -36.97 71.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.879 0.871 . . . . 74.32 111.215 172.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.53 -43.78 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 123.51 0.724 . . . . 72.51 109.999 174.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 90.0 mt -69.24 -37.26 77.9 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.767 0.827 . . . . 74.23 110.625 -177.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.09 -32.33 61.42 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.388 0.675 . . . . 74.15 111.586 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.455 ' HB1' HD22 ' B' ' 103' ' ' LEU . . . -74.47 -28.82 61.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.073 0.549 . . . . 72.23 111.174 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -78.35 -36.85 45.59 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.637 0.775 . . . . 75.54 110.199 170.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -65.06 -38.09 89.68 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.192 0.997 . . . . 64.51 111.22 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.485 HD11 HG11 ' B' ' 54' ' ' VAL . 89.7 mt -100.5 -8.77 22.77 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.817 0.847 . . . . 71.0 111.112 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.492 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 24.0 t0 59.73 35.85 22.24 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.449 1.5 . . . . 64.41 112.105 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.406 HG12 ' HA ' ' B' ' 24' ' ' SER . 54.8 mt -82.59 105.81 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.788 -0.819 . . . . 74.14 108.788 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . 0.412 ' HB2' ' HD3' ' B' ' 102' ' ' PRO . 72.9 mmtt -59.28 -49.51 92.33 Favored Pre-proline 0 CA--C 1.566 1.564 0 CA-C-O 118.202 -0.904 . . . . 72.52 112.724 -174.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' B' ' 101' ' ' LYS . 50.9 Cg_exo -56.7 -50.52 11.46 Favored 'Trans proline' 0 C--N 1.401 3.302 0 C-N-CA 122.315 2.01 . . . . 75.12 112.695 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.455 HD22 ' HB1' ' B' ' 95' ' ' ALA . 3.6 tt -65.32 -43.99 89.25 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.979 0.512 . . . . 75.2 110.195 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.54 HD22 HD22 ' A' ' 104' ' ' LEU . 39.9 tp -63.34 -41.56 98.87 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.197 0.599 . . . . 74.1 110.673 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -67.24 -52.2 43.83 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.591 0.557 . . . . 70.32 110.286 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.65 -47.85 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.816 0.847 . . . . 73.32 111.75 -176.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 33.6 m -71.79 -40.05 69.47 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 122.839 0.456 . . . . 74.5 111.648 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 78.5 m -67.52 -30.78 70.53 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.569 0.348 . . . . 64.21 111.173 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -71.49 -38.75 71.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.112 0.565 . . . . 75.42 110.285 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' THR . . . . . 0.407 HG23 ' HB3' ' B' ' 81' ' ' CYS . 99.2 m -57.18 -47.85 80.22 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.082 0.553 . . . . 72.54 111.319 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.523 ' HA ' ' HE3' ' B' ' 114' ' ' MET . 7.3 p -74.02 -34.28 38.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 115.946 -0.57 . . . . 65.54 111.168 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' B' ' 116' ' ' ARG . . . -61.7 -47.49 85.05 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.105 0.562 . . . . 73.4 111.045 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -59.28 -28.27 66.59 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.921 0.888 . . . . 75.35 112.257 -173.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.523 ' HE3' ' HA ' ' B' ' 111' ' ' VAL . 44.5 mtm -67.23 -44.23 79.99 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.421 0.689 . . . . 75.43 110.417 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . 0.483 HD11 ' HA ' ' A' ' 86' ' ' PRO . 27.9 pt -101.29 -7.78 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.179 -0.919 . . . . 72.14 112.432 -172.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' B' ' 112' ' ' ALA . 2.2 tmt_? . . . . . 0 N--CA 1.48 1.07 0 C-N-CA 123.279 0.631 . . . . 71.41 110.112 -175.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 109.643 -0.503 . . . . 74.33 109.643 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 m -89.49 127.31 42.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 121.361 0.601 . . . . 72.35 109.468 175.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.542 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 60.6 mttp -82.88 109.08 16.69 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.332 1.053 . . . . 74.3 110.317 -175.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.494 HD21 HD11 ' A' ' 27' ' ' ILE . 11.3 mp -105.48 99.02 8.64 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.199 0.6 . . . . 72.44 109.395 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -79.06 124.18 28.04 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.24 -0.652 . . . . 65.33 109.24 174.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 p -82.2 179.96 7.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.553 0.741 . . . . 65.34 111.163 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 m -68.19 -17.93 64.45 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.045 0.938 . . . . 75.3 111.72 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.548 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 31.1 t70 -95.15 14.76 21.01 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.924 0.89 . . . . 74.54 110.163 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 67.02 12.97 9.29 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 124.781 1.232 . . . . 64.25 112.931 175.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -92.28 121.86 34.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.146 0.579 . . . . 75.22 110.049 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.5 t -90.21 119.85 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 123.786 0.834 . . . . 73.41 109.492 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -112.01 104.14 12.38 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.051 0.94 . . . . 75.44 108.497 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.542 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 32.8 mt-10 -82.93 78.5 9.5 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.725 0.81 . . . . 62.25 109.58 -177.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.447 HD11 ' HB3' ' A' ' 55' ' ' LEU . 6.2 tt -79.75 149.54 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.308 -0.86 . . . . 73.34 109.735 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -57.66 124.51 19.34 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.936 0.894 . . . . 73.3 109.697 171.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -55.57 -41.81 73.86 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.102 0.961 . . . . 75.13 112.022 -173.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.05 -35.11 70.86 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.158 0.983 . . . . 52.01 111.573 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 59' ' ' ARG . 51.6 mt -81.72 -35.22 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.951 -1.022 . . . . 72.45 110.78 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.76 -17.86 64.68 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.414 0.685 . . . . 71.31 111.739 175.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 70.9 m -70.17 -23.69 63.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.853 0.861 . . . . 72.21 112.632 176.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.0 mtm -66.44 -29.97 70.22 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 121.085 0.469 . . . . 73.15 110.545 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.55 ' HA ' HG12 ' A' ' 100' ' ' ILE . 48.1 t -76.26 114.54 15.05 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 108.109 -1.071 . . . . 73.14 108.109 168.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.413 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 35.7 t -63.43 -47.66 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 O-C-N 123.672 0.608 . . . . 75.0 110.437 -175.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.3 m -62.55 -49.8 73.88 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.267 0.627 . . . . 60.34 112.106 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.494 HD11 HD21 ' A' ' 6' ' ' LEU . 97.6 mt -61.5 -43.46 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 123.072 0.549 . . . . 74.32 110.312 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 23.3 ttpp -59.01 -45.33 90.94 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.485 0.714 . . . . 74.45 110.483 176.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -69.28 -30.3 68.36 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.406 0.682 . . . . 72.22 111.368 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.2 mtt -63.76 -47.0 82.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.244 0.618 . . . . 75.23 109.542 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.82 -44.53 98.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.892 0.877 . . . . 73.35 110.259 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.94 -40.35 91.29 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.58 0.752 . . . . 75.15 111.466 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -66.02 -44.19 85.45 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.782 0.833 . . . . 73.44 110.524 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.2 mm -66.9 -32.01 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.502 0.721 . . . . 70.21 110.108 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.15 16.98 65.89 Favored Glycine 0 C--N 1.348 1.236 0 N-CA-C 111.349 -0.701 . . . . 53.24 111.349 -169.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 71.92 141.05 0.05 Allowed 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.436 1.894 . . . . 64.31 111.139 -175.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.5 t -150.1 160.91 43.29 Favored 'General case' 0 C--O 1.244 0.77 0 C-N-CA 123.268 0.627 . . . . 73.33 109.386 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -76.05 -12.98 60.22 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.5 -0.773 . . . . 63.12 110.51 172.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -64.98 123.91 85.18 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 123.469 0.708 . . . . 70.23 110.696 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -59.07 117.84 4.64 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.834 2.356 . . . . 74.13 111.846 173.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.75 110.51 3.5 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.686 0.794 . . . . 73.34 109.736 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -90.01 116.61 0.64 Allowed 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.635 2.223 . . . . 71.12 111.902 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -98.25 100.46 9.06 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 108.593 -0.891 . . . . 72.54 108.593 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -87.77 41.86 0.71 Allowed 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 123.309 2.673 . . . . 74.33 112.549 -174.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -140.05 -54.2 0.53 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.769 0.827 . . . . 74.24 109.368 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.6 p -88.49 130.58 37.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 123.182 0.593 . . . . 74.51 110.782 -174.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.3 p -78.64 175.27 10.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.232 1.013 . . . . 74.43 111.092 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.548 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 52.0 p -63.29 -48.49 77.89 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.784 0.661 . . . . 53.22 112.784 -174.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 58.3 p -65.79 -39.98 91.49 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.121 0.568 . . . . 71.12 110.95 -176.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.555 HG21 HD23 ' A' ' 91' ' ' LEU . 50.2 mm -74.8 -41.95 47.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.764 -0.653 . . . . 73.1 110.397 -176.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 6' ' ' LEU . 44.7 tp -66.63 -44.53 81.76 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.83 -0.433 . . . . 71.25 109.83 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -55.16 -45.5 75.69 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.82 0.7 . . . . 73.14 110.303 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 49' ' ' THR . 25.1 tttp -66.56 -46.52 75.77 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 114.055 -1.43 . . . . 75.3 110.559 -173.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.409 HG13 HD12 ' A' ' 98' ' ' LEU . 55.3 t -63.09 -47.91 90.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.106 0.879 . . . . 54.35 110.719 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.456 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 82.5 mt -65.17 -42.59 93.55 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.707 0.629 . . . . 75.44 110.945 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.44 -32.81 66.61 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.697 0.799 . . . . 71.34 110.72 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.432 ' HA ' ' HE2' ' A' ' 76' ' ' TYR . 78.4 t80 -62.76 -45.67 91.62 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.532 -0.758 . . . . 75.33 110.282 171.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 99.2 m -63.55 -37.25 86.6 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 124.222 0.951 . . . . 62.01 110.577 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.547 ' HA ' HD12 ' A' ' 20' ' ' ILE . 75.3 mtp180 -67.49 -47.91 68.65 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.07 0.548 . . . . 75.23 110.246 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -61.36 -43.16 99.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.811 0.844 . . . . 73.0 111.249 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -73.79 -25.44 60.13 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.629 -0.714 . . . . 74.54 110.095 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -76.77 -31.89 57.34 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.867 0.467 . . . . 75.22 110.1 174.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -82.73 -10.88 58.7 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.561 0.744 . . . . 73.42 111.33 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 CA--C 1.552 1.027 0 C-N-CA 123.772 0.829 . . . . 73.42 109.359 171.238 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.7 mt . . . . . 0 CA--C 1.546 0.824 0 N-CA-C 108.026 -1.101 . . . . 73.12 108.026 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.58 152.33 56.25 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.367 2.711 . . . . 73.12 112.619 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -46.75 -52.13 8.04 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.945 3.096 . . . . 75.12 113.537 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.432 ' HE2' ' HA ' ' A' ' 57' ' ' TYR . 81.4 t80 -62.04 -41.63 98.32 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.934 0.493 . . . . 71.55 111.803 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.84 -28.25 68.84 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.977 0.511 . . . . 72.31 110.909 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.34 -39.15 54.74 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.601 0.76 . . . . 70.43 109.388 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -69.51 -22.93 63.55 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 123.781 0.833 . . . . 75.52 111.283 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -65.41 -34.08 77.45 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.442 1.097 . . . . 72.42 110.102 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 63.6 m -80.14 -7.33 58.87 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.096 0.959 . . . . 74.3 111.96 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -79.94 72.92 6.72 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.734 0.814 . . . . 74.44 110.921 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 m -142.72 156.87 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.812 0.845 . . . . 64.23 110.393 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.37 158.83 33.24 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.237 -0.892 . . . . 74.0 109.357 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -51.0 -55.57 26.8 Favored Pre-proline 0 CA--C 1.564 1.49 0 CA-C-O 117.163 -1.399 . . . . 74.34 113.44 -173.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.491 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 72.2 Cg_exo -51.46 -48.21 22.39 Favored 'Trans proline' 0 C--N 1.393 2.875 0 C-N-CA 121.988 1.792 . . . . 72.03 112.025 176.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.5 m -63.02 -33.39 75.32 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.027 0.931 . . . . 75.2 111.781 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 tt -72.33 -43.84 63.52 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.206 1.003 . . . . 74.14 109.626 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -73.45 -26.55 60.98 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.305 0.642 . . . . 71.25 111.007 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 56.5 mm-40 -60.73 -35.08 75.47 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.811 0.444 . . . . 73.33 111.008 169.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.555 HD23 HG21 ' A' ' 50' ' ' ILE . 96.4 mt -68.26 -34.37 76.08 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.236 0.615 . . . . 73.41 111.304 175.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.3 mt -70.54 -42.77 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 123.539 0.736 . . . . 71.54 110.276 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.37 -35.92 82.44 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.87 0.868 . . . . 72.44 110.335 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.96 -33.61 59.79 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.468 0.707 . . . . 62.31 110.908 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.72 70.15 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.732 0.413 . . . . 53.02 110.956 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -79.69 -42.25 25.13 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.81 0.844 . . . . 75.43 110.602 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.17 -40.78 90.75 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.854 0.862 . . . . 74.22 110.944 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.409 HD12 HG13 ' A' ' 54' ' ' VAL . 72.7 mt -90.97 -5.51 55.32 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.52 0.728 . . . . 74.54 110.945 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.413 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 5.8 t70 62.32 26.86 16.07 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.365 1.466 . . . . 75.02 111.577 172.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.55 HG12 ' HA ' ' A' ' 24' ' ' SER . 14.3 mt -81.92 89.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.566 0 N-CA-C 108.379 -0.971 . . . . 74.34 108.379 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -58.77 -42.79 96.11 Favored Pre-proline 0 CA--C 1.565 1.545 0 CA-C-O 117.924 -1.036 . . . . 72.51 113.485 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.4 ' O ' HG22 ' A' ' 106' ' ' VAL . 18.2 Cg_endo -59.63 -40.93 60.7 Favored 'Trans proline' 0 C--N 1.388 2.615 0 CA-C-N 121.543 1.587 . . . . 64.41 112.695 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.15 -44.24 84.7 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.145 0.578 . . . . 73.23 110.386 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.43 -45.09 76.79 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.435 1.085 . . . . 74.24 110.076 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.27 -48.85 74.12 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.061 0.944 . . . . 71.12 111.477 -177.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 102' ' ' PRO . 74.0 t -57.02 -48.93 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.343 0.657 . . . . 72.41 110.929 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.6 m -70.41 -31.18 68.27 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.275 0.63 . . . . 72.34 111.824 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 88.7 m -72.72 -29.5 63.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.5 0.72 . . . . 74.15 111.244 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -39.73 63.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.041 0.536 . . . . 75.23 109.696 174.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -59.26 -49.89 76.09 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.528 0.731 . . . . 73.14 111.686 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.544 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 26.5 m -63.14 -37.8 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 122.412 0.285 . . . . 75.42 110.735 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.39 -27.9 68.21 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.548 0.739 . . . . 73.52 111.767 178.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -80.55 -33.49 36.2 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.772 0.829 . . . . 72.42 111.53 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.544 ' HE3' ' HA ' ' A' ' 111' ' ' VAL . 49.7 mtm -71.23 -39.18 71.86 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.088 0.471 . . . . 75.01 110.704 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' B' ' 86' ' ' PRO . 19.7 pt -89.29 -2.35 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.479 0.712 . . . . 74.31 111.586 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -59.48 98.69 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.398 0.679 . . . . 75.1 111.516 -168.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 CA-C-N 115.323 -0.853 . . . . 65.0 111.349 177.07 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 120.941 0.401 . . . . 73.13 111.337 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 78.8 mt -77.98 128.04 33.28 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.954 -0.567 . . . . 72.44 109.623 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.7 m -89.59 126.95 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-O 121.388 0.613 . . . . 75.31 109.369 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.536 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 61.3 mttp -82.44 110.38 17.51 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.113 0.965 . . . . 74.41 110.52 -176.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.51 HD21 HD11 ' B' ' 27' ' ' ILE . 11.2 mp -106.36 98.67 8.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.484 0.714 . . . . 61.31 109.422 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -79.38 123.63 27.67 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.351 -0.611 . . . . 74.21 109.351 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 64.1 p -82.09 -179.95 7.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.602 0.761 . . . . 74.43 111.389 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -67.65 -20.46 65.32 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.718 0.807 . . . . 72.33 111.644 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . 0.558 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 36.3 t70 -92.14 13.23 19.6 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.177 0.991 . . . . 75.23 110.62 175.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 68.43 11.9 8.52 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 125.022 1.329 . . . . 75.44 113.028 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -90.51 121.84 32.81 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.281 0.632 . . . . 75.42 110.012 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 51.7 t -90.13 118.82 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.825 0.85 . . . . 75.51 109.521 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -111.35 104.87 13.36 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 124.127 0.971 . . . . 74.24 108.386 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 32.6 mt-10 -84.16 78.99 9.67 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.356 -0.838 . . . . 75.04 109.352 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.428 HD11 ' HB3' ' B' ' 55' ' ' LEU . 6.0 tt -79.71 149.49 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.298 -0.865 . . . . 75.23 109.69 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.31 124.44 18.9 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.083 0.953 . . . . 74.52 109.686 171.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -55.84 -41.55 74.44 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.959 0.904 . . . . 75.21 112.059 -173.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -58.39 -34.4 70.68 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.989 0.915 . . . . 73.34 111.67 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' B' ' 59' ' ' ARG . 50.5 mt -82.31 -34.76 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 115.056 -0.975 . . . . 75.53 110.818 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.37 -17.77 64.32 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.392 0.677 . . . . 64.12 111.74 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . 0.461 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 85.9 m -70.44 -23.23 62.68 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.966 0.906 . . . . 73.21 112.828 176.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 19.5 mtm -66.33 -29.96 70.26 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.151 0.501 . . . . 72.54 110.689 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.564 ' HA ' HG12 ' B' ' 100' ' ' ILE . 48.3 t -76.75 114.46 15.54 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.003 -1.11 . . . . 74.14 108.003 168.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.41 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 37.8 t -63.34 -47.48 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 O-C-N 123.837 0.711 . . . . 73.25 110.529 -175.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 89.0 m -62.16 -50.38 72.07 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.335 0.654 . . . . 72.11 112.182 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.51 HD11 HD21 ' B' ' 6' ' ' LEU . 97.5 mt -61.51 -43.5 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.251 0.62 . . . . 74.25 110.239 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' B' ' 22' ' ' CYS . 22.9 ttpp -59.04 -45.46 90.71 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.488 0.715 . . . . 74.41 110.512 176.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -69.08 -29.9 68.1 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.429 0.692 . . . . 74.11 111.419 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.5 mtt -64.18 -47.02 81.43 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.192 0.597 . . . . 73.02 109.612 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 82.8 mt -63.52 -44.8 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 C-N-CA 123.977 0.911 . . . . 70.24 110.145 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.18 -39.11 89.47 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.563 0.745 . . . . 75.13 111.666 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.7 -43.89 79.01 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.544 0.738 . . . . 74.45 110.442 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.79 -31.72 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.464 0.706 . . . . 72.12 110.218 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.64 18.1 66.75 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.781 -0.645 . . . . 70.41 111.663 -169.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 71.16 141.49 0.05 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.619 1.968 . . . . 74.12 111.245 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 44.5 t -151.18 160.48 43.83 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.67 0.788 . . . . 63.32 109.427 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.57 -11.07 59.82 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.253 0.621 . . . . 74.25 110.67 173.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -65.4 124.09 86.15 Favored Pre-proline 0 CA--C 1.559 1.323 0 C-N-CA 123.544 0.738 . . . . 65.31 110.214 175.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.78 117.67 4.43 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.947 2.431 . . . . 75.04 111.862 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -62.84 110.58 3.6 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 123.938 0.895 . . . . 75.22 109.468 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -91.25 114.7 0.41 Allowed 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.497 2.132 . . . . 73.5 112.072 -178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mp -96.19 101.47 8.66 Favored Pre-proline 0 CA--C 1.558 1.287 0 N-CA-C 108.761 -0.829 . . . . 75.02 108.761 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -88.05 42.52 0.74 Allowed 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.551 2.834 . . . . 63.42 112.49 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -141.67 -52.68 0.44 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.552 0.741 . . . . 74.03 109.959 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 p -89.86 130.68 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 CA-C-N 115.651 -0.704 . . . . 71.51 110.777 -175.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 68.3 p -78.88 175.57 10.39 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.917 0.887 . . . . 63.43 110.987 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.558 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 43.3 p -62.61 -49.19 76.21 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.192 0.597 . . . . 63.3 112.582 -174.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' B' ' 53' ' ' LYS . 56.4 p -65.58 -40.46 92.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.213 0.605 . . . . 74.33 110.986 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.549 HG21 HD23 ' B' ' 91' ' ' LEU . 50.6 mm -74.73 -41.52 47.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 CA-C-N 115.924 -0.58 . . . . 74.45 110.329 -176.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' B' ' 6' ' ' LEU . 46.1 tp -66.87 -44.85 79.87 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.805 -0.443 . . . . 71.11 109.805 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -55.1 -45.25 75.47 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.525 0.73 . . . . 75.32 110.039 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' B' ' 49' ' ' THR . 23.4 tttp -66.46 -46.38 76.57 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.234 -1.348 . . . . 75.14 110.62 -172.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.414 HG13 HD12 ' B' ' 98' ' ' LEU . 54.8 t -63.36 -47.7 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 124.15 0.906 . . . . 70.33 110.699 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' B' ' 59' ' ' ARG . 82.0 mt -65.49 -42.62 91.99 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.598 0.561 . . . . 75.32 110.839 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.94 -32.52 67.41 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.758 0.823 . . . . 63.52 110.437 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . 0.43 ' HA ' ' HE2' ' B' ' 76' ' ' TYR . 78.5 t80 -63.65 -45.86 88.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.748 0.819 . . . . 75.24 110.297 171.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.17 -37.65 88.05 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.223 0.952 . . . . 54.23 110.512 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.533 ' HA ' HD12 ' B' ' 20' ' ' ILE . 76.3 mtp180 -66.88 -47.64 71.21 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.042 0.537 . . . . 73.14 110.397 179.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -61.24 -43.77 98.34 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.63 0.772 . . . . 72.3 111.553 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -74.07 -25.06 59.62 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.518 -0.764 . . . . 65.25 109.908 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -76.67 -32.6 58.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.85 0.46 . . . . 53.33 110.111 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 82.3 mm-40 -81.6 -11.9 58.94 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.644 0.778 . . . . 72.33 111.453 177.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 . . . . . 0 CA--C 1.556 1.207 0 C-N-CA 123.978 0.911 . . . . 73.31 109.477 171.257 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 55.1 mt . . . . . 0 CA--C 1.551 0.982 0 N-CA-C 108.084 -1.08 . . . . 75.32 108.084 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.5 151.43 61.96 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.415 2.744 . . . . 74.25 112.719 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -45.75 -52.56 6.71 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.911 3.074 . . . . 75.23 113.619 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . 0.43 ' HE2' ' HA ' ' B' ' 57' ' ' TYR . 81.6 t80 -61.21 -41.91 97.67 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.178 0.591 . . . . 73.33 111.792 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.96 -28.35 68.84 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.211 0.604 . . . . 75.52 110.821 -177.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -75.91 -39.17 56.84 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.55 0.74 . . . . 74.45 109.48 173.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -70.03 -22.95 63.05 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.796 0.838 . . . . 75.31 111.471 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.8 -34.72 79.03 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.362 1.065 . . . . 75.25 110.019 176.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.9 m -79.17 -8.72 59.22 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.091 -0.959 . . . . 74.41 111.89 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -79.13 74.31 5.69 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.766 0.826 . . . . 73.53 110.886 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 m -143.86 157.67 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.931 0.892 . . . . 71.22 109.954 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -75.13 158.88 32.36 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.955 0.902 . . . . 74.14 109.462 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -50.78 -54.87 31.91 Favored Pre-proline 0 N--CA 1.489 1.483 0 CA-C-O 117.269 -1.348 . . . . 73.31 113.087 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . 0.574 ' HA ' HD12 ' A' ' 115' ' ' ILE . 72.9 Cg_exo -50.98 -50.04 15.12 Favored 'Trans proline' 0 C--N 1.394 2.971 0 CA-C-N 121.981 1.743 . . . . 74.52 112.518 175.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.0 m -62.06 -33.02 73.62 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 123.972 0.909 . . . . 75.22 111.97 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tt -72.67 -44.16 62.17 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.02 0.928 . . . . 75.32 109.854 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -74.5 -26.09 59.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.974 -0.557 . . . . 72.43 111.266 177.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 52.9 mm-40 -59.89 -34.74 73.58 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.641 0.376 . . . . 75.5 110.887 169.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.549 HD23 HG21 ' B' ' 50' ' ' ILE . 96.4 mt -68.43 -34.36 75.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.333 0.653 . . . . 71.33 111.43 174.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 54.4 mt -70.7 -42.34 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 C-N-CA 123.63 0.772 . . . . 75.05 110.089 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.46 -36.53 84.18 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.981 0.913 . . . . 75.11 110.469 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.97 -33.39 59.77 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.547 0.739 . . . . 71.12 110.86 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.3 -31.87 70.65 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.783 0.433 . . . . 73.54 111.035 177.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -79.78 -42.43 24.48 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.561 0.744 . . . . 74.4 110.294 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -66.76 -37.69 85.1 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.513 0.725 . . . . 74.52 111.243 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.414 HD12 HG13 ' B' ' 54' ' ' VAL . 74.1 mt -93.23 -3.99 52.73 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.279 0.632 . . . . 73.42 111.017 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.41 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 9.8 t70 60.87 26.13 16.02 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.298 1.439 . . . . 62.13 111.697 173.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.564 HG12 ' HA ' ' B' ' 24' ' ' SER . 14.3 mt -81.36 89.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 108.472 -0.936 . . . . 74.03 108.472 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -58.67 -42.6 95.22 Favored Pre-proline 0 CA--C 1.564 1.489 0 C-N-CA 124.252 1.021 . . . . 75.34 113.497 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.6 -40.98 60.54 Favored 'Trans proline' 0 C--N 1.39 2.712 0 CA-C-N 121.641 1.622 . . . . 70.4 112.876 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 62.4 tp -66.19 -44.37 84.14 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.105 0.562 . . . . 75.33 110.312 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -54.59 -45.97 73.68 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.388 1.055 . . . . 65.45 110.238 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.46 -47.61 78.41 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.351 1.032 . . . . 71.12 111.315 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 72.8 t -57.87 -49.18 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.181 0.593 . . . . 75.01 110.765 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 8.9 m -70.27 -30.76 67.87 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 123.323 0.649 . . . . 74.14 111.926 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.8 -29.44 63.26 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.585 0.754 . . . . 74.54 111.182 176.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -74.19 -40.1 62.74 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.932 0.493 . . . . 74.3 109.711 174.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.2 m -58.96 -49.71 76.83 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 123.458 0.703 . . . . 72.52 111.57 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.514 ' HA ' ' HE3' ' B' ' 114' ' ' MET . 30.9 m -63.37 -37.8 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.371 0.268 . . . . 74.24 111.014 177.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.49 -28.81 68.86 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.563 0.745 . . . . 53.45 111.393 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.29 -34.4 42.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.965 0.906 . . . . 75.11 111.696 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.514 ' HE3' ' HA ' ' B' ' 111' ' ' VAL . 51.4 mtm -70.76 -39.03 73.5 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 121.09 0.471 . . . . 74.0 110.588 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.8 pt -89.14 -1.38 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.683 0.793 . . . . 72.11 111.642 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 . . . . . 0 N--CA 1.476 0.841 0 C-N-CA 123.479 0.712 . . . . 74.53 111.593 -170.031 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 110.465 -0.198 . . . . 73.22 110.465 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.8 m -83.65 126.11 40.15 Favored 'Isoleucine or valine' 0 C--O 1.244 0.816 0 N-CA-C 108.767 -0.827 . . . . 71.35 108.767 170.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.479 ' HD2' ' HG3' ' A' ' 40' ' ' PRO . 91.3 mttt -90.35 88.58 7.25 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.552 -0.749 . . . . 71.33 109.987 -173.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.4 mt -83.54 94.45 8.05 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.458 -0.792 . . . . 74.51 109.727 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -79.27 133.73 36.65 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.151 -0.685 . . . . 75.14 109.151 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 p -84.75 176.57 8.46 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.739 0.815 . . . . 72.33 111.037 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.6 p -68.93 -22.84 64.12 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.722 0.809 . . . . 62.55 110.98 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -84.76 5.69 27.4 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 124.47 1.108 . . . . 74.32 110.855 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 67.57 20.41 9.69 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.599 1.56 . . . . 74.43 112.954 173.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -88.05 122.35 31.53 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 109.344 -0.613 . . . . 75.23 109.344 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -91.03 105.26 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.181 0.993 . . . . 74.05 109.964 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -93.25 102.18 14.46 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.642 0.777 . . . . 74.43 109.229 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 34.4 mt-10 -82.87 78.6 9.44 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 123.699 0.8 . . . . 72.14 109.597 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.578 HD13 ' HB3' ' A' ' 55' ' ' LEU . 13.8 tt -93.85 150.12 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.133 0.973 . . . . 74.31 109.392 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 138.86 58.63 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.374 0.669 . . . . 64.4 109.955 -178.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.61 -37.74 79.39 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.755 0.659 . . . . 75.14 111.419 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -54.23 -36.97 64.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.793 0.837 . . . . 74.32 111.628 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.0 mt -78.09 -38.81 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.392 -0.822 . . . . 75.02 109.9 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.47 -9.47 58.61 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.035 0.934 . . . . 73.14 112.514 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -70.65 -32.34 69.6 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.054 0.542 . . . . 71.21 110.842 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.5 mtm -63.57 -31.29 72.41 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.338 0.589 . . . . 75.32 110.365 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.419 ' HA ' HG12 ' A' ' 100' ' ' ILE . 33.1 t -76.08 104.85 6.81 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.705 -1.134 . . . . 72.33 108.193 168.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.8 -38.07 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.589 0.556 . . . . 75.41 111.682 -171.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.8 m -64.37 -42.73 96.02 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.384 0.273 . . . . 72.43 111.219 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.417 ' O ' HG13 ' A' ' 31' ' ' ILE . 87.1 mt -67.17 -45.25 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.133 0.573 . . . . 73.3 110.042 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -56.21 -44.59 79.65 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.859 0.864 . . . . 74.4 110.43 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -68.01 -32.51 72.94 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.132 -0.94 . . . . 72.11 111.329 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.1 mtt -68.57 -36.98 79.49 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 123.77 0.669 . . . . 74.55 110.683 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 27' ' ' ILE . 83.7 mt -64.18 -46.2 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.19 -0.67 . . . . 73.04 109.19 176.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.66 -32.23 71.92 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.847 0.859 . . . . 71.1 111.568 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.59 -43.86 79.52 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.567 1.147 . . . . 73.51 110.747 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -80.03 -20.88 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 124.387 1.075 . . . . 74.23 110.205 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.86 -46.7 1.37 Allowed Glycine 0 C--N 1.346 1.118 0 N-CA-C 110.049 -1.221 . . . . 64.51 110.049 -172.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -162.19 108.67 1.29 Allowed 'General case' 0 C--O 1.244 0.815 0 C-N-CA 124.885 1.274 . . . . 74.05 107.914 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB3' HD11 ' A' ' 41' ' ' ILE . 53.0 m -75.64 80.27 2.62 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.637 0.732 . . . . 73.15 109.821 175.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.89 -35.98 57.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 114.808 -1.087 . . . . 61.53 109.61 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 p -78.47 149.52 75.33 Favored Pre-proline 0 CA--C 1.555 1.154 0 CA-C-N 115.131 -0.941 . . . . 73.12 111.003 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HG3' ' HD2' ' A' ' 5' ' ' LYS . 52.5 Cg_exo -57.45 130.3 38.38 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 123.163 2.576 . . . . 74.35 112.238 175.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.402 HD11 ' HB3' ' A' ' 37' ' ' SER . 49.7 mm -91.46 109.05 33.46 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 123.307 0.643 . . . . 72.01 109.346 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.96 129.83 10.9 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.675 2.25 . . . . 60.15 110.551 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.2 mt -114.63 93.35 32.57 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 108.067 -1.086 . . . . 73.54 108.067 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -82.33 35.57 0.58 Allowed 'Trans proline' 0 C--N 1.381 2.238 0 C-N-CA 123.493 2.795 . . . . 73.15 112.748 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -133.38 -66.44 0.65 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.308 1.043 . . . . 74.42 108.872 -174.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -79.78 126.47 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-N 115.625 -0.716 . . . . 74.31 110.28 -175.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.3 p -73.54 169.48 17.15 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.518 0.727 . . . . 73.33 111.034 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -62.11 -45.17 94.67 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.543 0.737 . . . . 71.21 111.694 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 35.8 p -57.03 -51.15 70.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 124.4 1.063 . . . . 73.44 111.236 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.533 HG21 HD23 ' A' ' 91' ' ' LEU . 51.5 mm -73.18 -42.7 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 115.996 -0.547 . . . . 72.55 110.725 -175.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 tp -62.55 -35.37 79.23 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.15 0.58 . . . . 75.45 110.56 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.44 -47.11 87.21 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.36 0.664 . . . . 63.21 110.102 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HE2' HG11 ' A' ' 83' ' ' VAL . 27.5 mtpp -64.68 -45.59 86.01 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.25 0.968 . . . . 73.24 111.643 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -63.6 -46.01 96.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.336 -0.847 . . . . 72.23 110.295 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.578 ' HB3' HD13 ' A' ' 16' ' ' ILE . 71.2 mt -72.95 -30.79 64.13 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.909 -0.587 . . . . 74.23 111.527 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.17 -36.83 69.38 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.277 0.631 . . . . 73.15 110.279 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -69.74 -32.49 71.06 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.046 -0.524 . . . . 75.5 109.923 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 90.6 m -68.51 -35.11 77.02 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.951 -0.568 . . . . 50.21 110.613 173.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 64.1 mtm180 -68.53 -34.75 76.41 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.942 0.497 . . . . 73.34 110.213 173.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -58.51 -50.42 73.82 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 124.102 0.876 . . . . 62.01 109.593 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.55 -24.37 61.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.163 0.585 . . . . 74.34 111.503 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -73.3 -48.67 32.65 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.248 0.547 . . . . 74.34 111.057 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -96.54 -19.24 19.23 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.789 -1.096 . . . . 72.3 110.846 -169.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 107.498 -1.297 . . . . 70.01 107.498 170.197 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 CA--C 1.562 1.407 0 N-CA-C 110.834 -0.061 . . . . 71.03 110.834 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.7 158.0 25.75 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 123.133 2.555 . . . . 74.24 112.919 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -45.12 -49.95 9.41 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 124.206 3.271 . . . . 72.33 113.961 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.63 -40.22 68.73 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.498 0.719 . . . . 74.35 111.795 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.57 -35.64 75.55 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.773 0.67 . . . . 72.51 111.126 -175.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -62.67 -53.36 55.59 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.513 0.508 . . . . 75.54 109.804 170.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -62.03 -31.17 71.53 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.841 0.856 . . . . 73.51 111.93 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.03 -42.44 89.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.149 0.979 . . . . 74.23 109.733 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 67.1 m -75.63 -26.67 57.95 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.886 -1.052 . . . . 54.3 111.275 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -81.52 74.65 8.51 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.266 0.626 . . . . 74.44 109.708 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.571 HG11 ' HE2' ' A' ' 53' ' ' LYS . 31.2 m -125.79 169.09 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.625 1.17 . . . . 75.33 109.002 175.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -67.86 160.56 28.15 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.565 0.746 . . . . 74.54 111.087 -173.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -54.19 -51.58 76.29 Favored Pre-proline 0 CA--C 1.567 1.621 0 C-N-CA 124.281 1.032 . . . . 75.44 113.3 -173.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.44 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 38.2 Cg_endo -64.81 -35.33 45.72 Favored 'Trans proline' 0 C--N 1.39 2.751 0 C-N-CA 121.733 1.622 . . . . 73.45 112.259 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.9 m -61.88 -32.73 73.12 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.14 0.976 . . . . 72.43 111.883 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.63 -48.69 78.73 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.113 0.965 . . . . 74.31 110.552 173.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -69.16 -30.45 68.68 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.748 -0.66 . . . . 75.24 111.537 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 12.8 mm-40 -63.51 -39.6 94.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.965 0.506 . . . . 73.33 110.65 175.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.533 HD23 HG21 ' A' ' 50' ' ' ILE . 96.3 mt -69.02 -34.86 75.93 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.456 -0.793 . . . . 74.31 110.853 175.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 82.0 mt -66.83 -44.53 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.581 0.752 . . . . 74.14 110.265 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.54 -41.02 89.33 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.736 0.814 . . . . 74.24 110.712 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.93 -38.06 72.89 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.679 0.791 . . . . 65.44 111.601 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.466 ' HB1' HD11 ' A' ' 103' ' ' LEU . . . -72.2 -28.69 63.35 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.276 0.63 . . . . 71.41 111.653 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -78.86 -38.46 37.78 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.896 0.478 . . . . 75.25 109.756 173.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -64.37 -43.82 93.29 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.786 0.835 . . . . 75.14 111.815 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.2 -8.78 35.21 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.777 0.831 . . . . 71.43 111.69 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.8 t0 50.16 68.94 0.67 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.73 1.212 . . . . 72.11 110.968 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.419 HG12 ' HA ' ' A' ' 24' ' ' SER . 30.4 mt -117.99 92.71 2.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 107.092 -1.447 . . . . 73.13 107.092 172.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.94 -35.89 14.46 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 118.219 -0.896 . . . . 74.2 113.042 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -50.76 -33.5 40.75 Favored 'Trans proline' 0 C--N 1.397 3.114 0 C-N-CA 122.255 1.97 . . . . 72.13 113.768 166.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.466 HD11 ' HB1' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -80.28 -50.9 9.57 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 109.287 -0.635 . . . . 75.22 109.287 176.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.9 -51.52 69.33 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.554 1.142 . . . . 71.23 111.721 -170.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.72 -39.29 93.4 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 124.591 1.182 . . . . 74.14 111.611 -173.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.51 -45.19 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.51 0.724 . . . . 75.52 110.762 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.7 m -69.05 -31.06 69.56 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 122.832 0.453 . . . . 73.4 110.943 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 85.2 m -70.28 -33.43 71.56 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.631 0.772 . . . . 74.44 110.729 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -69.94 -39.73 75.91 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.069 0.548 . . . . 72.23 110.133 174.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.8 m -61.12 -52.9 62.94 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.829 0.706 . . . . 64.4 111.154 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.516 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 35.1 m -67.03 -32.63 58.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.626 -0.715 . . . . 75.44 111.189 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.62 86.9 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.206 0.602 . . . . 75.33 110.824 175.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -67.78 -25.69 65.73 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.561 0.744 . . . . 75.34 111.759 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.516 ' HE3' ' HA ' ' A' ' 111' ' ' VAL . 38.9 mtm -69.88 -48.69 57.77 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.899 0.381 . . . . 75.0 110.634 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 43.9 pt -85.14 -4.89 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-N 115.606 -0.724 . . . . 74.04 112.235 -177.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -63.41 96.2 0.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.963 1.305 . . . . 74.44 111.112 -176.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 CA-C-O 118.59 -1.117 . . . . 75.25 110.718 173.521 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 110.429 -0.211 . . . . 73.02 110.429 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -75.95 116.91 17.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.81 0.444 . . . . 75.22 110.378 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -82.57 126.1 39.98 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 N-CA-C 108.76 -0.83 . . . . 73.05 108.76 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.46 ' HD2' ' HG3' ' B' ' 40' ' ' PRO . 91.2 mttt -90.91 87.71 6.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.452 -0.794 . . . . 73.04 109.785 -172.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.15 94.61 7.88 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.176 -0.92 . . . . 72.14 109.577 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -79.21 133.92 36.68 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.097 -0.705 . . . . 74.34 109.097 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.0 p -85.67 175.99 8.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.786 0.835 . . . . 65.31 111.014 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.9 p -68.12 -23.13 64.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.699 0.799 . . . . 65.54 110.935 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -84.24 5.24 27.37 Favored 'General case' 0 CA--C 1.563 1.463 0 C-N-CA 124.395 1.078 . . . . 73.24 110.693 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 68.43 19.9 8.7 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.793 1.637 . . . . 74.35 112.885 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -88.32 121.85 31.17 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 109.474 -0.565 . . . . 73.31 109.474 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.7 t -90.41 107.15 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.21 1.004 . . . . 73.44 109.524 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.37 102.29 14.09 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 123.878 0.871 . . . . 71.25 109.133 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.405 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 37.8 mt-10 -83.02 77.54 9.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.753 0.821 . . . . 71.1 109.344 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.563 HD13 ' HB3' ' B' ' 55' ' ' LEU . 13.3 tt -92.91 151.17 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.629 0.772 . . . . 73.11 109.462 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.16 138.42 58.26 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.738 0.815 . . . . 63.34 109.754 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . 0.413 ' HE3' HG23 ' B' ' 31' ' ' ILE . 81.0 tttt -59.09 -37.94 78.34 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.302 0.641 . . . . 72.15 111.259 -177.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.92 -35.95 64.71 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.997 0.919 . . . . 74.41 111.795 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 mt -78.87 -38.43 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 115.276 -0.874 . . . . 74.31 109.748 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.64 -9.47 58.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.026 0.93 . . . . 70.41 112.527 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.8 m -70.65 -31.75 68.79 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.075 0.55 . . . . 74.15 110.846 172.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 33.5 mtm -64.06 -31.22 72.33 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 121.248 0.547 . . . . 71.23 110.346 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.419 ' HA ' HG12 ' B' ' 100' ' ' ILE . 33.4 t -76.63 105.5 7.73 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.096 -1.076 . . . . 63.52 108.096 169.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 63.2 t -67.37 -37.8 79.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 123.112 0.565 . . . . 73.42 111.604 -171.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.6 m -64.07 -43.41 95.54 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 122.515 0.326 . . . . 72.21 111.134 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.407 ' O ' HG13 ' B' ' 31' ' ' ILE . 86.2 mt -66.82 -45.01 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.166 0.586 . . . . 75.12 110.159 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -56.66 -44.71 81.65 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.716 0.806 . . . . 72.12 110.4 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -67.57 -32.64 73.53 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.221 -0.9 . . . . 72.11 111.222 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.7 mtt -68.05 -37.43 81.32 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.037 0.535 . . . . 74.42 110.712 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.413 HG23 ' HE3' ' B' ' 18' ' ' LYS . 83.1 mt -64.24 -45.6 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 109.386 -0.598 . . . . 71.2 109.386 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -69.54 -31.2 69.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.692 0.797 . . . . 74.41 111.535 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.53 -44.33 74.82 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.145 0.978 . . . . 61.22 110.592 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 72.5 mt -78.39 -24.08 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 124.537 1.135 . . . . 74.32 110.011 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.19 -43.02 1.77 Allowed Glycine 0 C--N 1.348 1.207 0 N-CA-C 110.394 -1.082 . . . . 62.03 110.394 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -165.07 108.97 0.87 Allowed 'General case' 0 C--O 1.24 0.569 0 C-N-CA 125.2 1.4 . . . . 61.42 107.761 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.423 ' HB3' HD11 ' B' ' 41' ' ' ILE . 50.8 m -75.98 80.24 2.85 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 121.24 0.543 . . . . 73.43 110.226 174.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -76.74 -37.28 56.25 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.074 -0.966 . . . . 75.42 109.581 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -76.6 149.02 80.63 Favored Pre-proline 0 CA--C 1.553 1.091 0 CA-C-N 115.031 -0.986 . . . . 65.33 110.928 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . 0.46 ' HG3' ' HD2' ' B' ' 5' ' ' LYS . 52.0 Cg_exo -56.31 131.49 46.12 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.074 2.516 . . . . 74.35 112.445 175.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' B' ' 37' ' ' SER . 49.4 mm -92.25 107.9 26.78 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 123.297 0.639 . . . . 73.12 109.529 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.03 129.46 11.46 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.659 2.239 . . . . 71.01 110.601 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.9 mt -114.77 93.47 33.72 Favored Pre-proline 0 CA--C 1.549 0.928 0 N-CA-C 108.193 -1.04 . . . . 64.5 108.193 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.04 34.12 0.54 Allowed 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.722 2.948 . . . . 74.11 112.974 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -132.52 -65.2 0.73 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.295 1.038 . . . . 74.3 109.198 -174.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.5 126.36 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 115.549 -0.75 . . . . 74.41 110.24 -175.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 39.2 p -73.37 169.84 16.31 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.599 0.76 . . . . 74.11 110.888 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 59.8 p -61.68 -46.54 89.27 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.429 0.691 . . . . 71.22 111.489 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 33.9 p -56.85 -50.04 73.65 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 124.621 1.201 . . . . 73.43 111.248 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.52 HG21 HD23 ' B' ' 91' ' ' LEU . 51.0 mm -73.4 -42.89 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.016 -0.538 . . . . 74.4 110.709 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -62.65 -34.85 77.9 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.095 0.558 . . . . 74.14 110.624 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.62 -47.16 86.67 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.524 0.73 . . . . 74.44 109.895 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.56 ' HE2' HG11 ' B' ' 83' ' ' VAL . 27.8 mtpp -65.52 -45.18 84.5 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 124.3 1.0 . . . . 71.24 111.332 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.7 t -63.63 -46.09 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 O-C-N 123.996 0.81 . . . . 73.41 110.352 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.563 ' HB3' HD13 ' B' ' 16' ' ' ILE . 69.7 mt -72.7 -31.04 64.72 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.206 0.602 . . . . 64.44 111.281 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -71.53 -37.92 71.11 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.584 0.754 . . . . 70.43 110.432 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.83 -32.72 72.62 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.093 -0.503 . . . . 74.33 110.068 174.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 92.3 m -68.26 -35.36 77.77 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.817 -0.629 . . . . 72.4 110.71 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 63.2 mtm180 -68.38 -34.98 77.02 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.096 0.558 . . . . 73.45 110.202 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -58.77 -50.22 74.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.791 0.837 . . . . 73.53 109.383 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -71.68 -26.49 62.54 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 123.895 0.747 . . . . 74.53 111.299 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -71.6 -49.32 41.45 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.21 0.604 . . . . 73.42 110.965 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -95.16 -19.6 19.94 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.048 -0.978 . . . . 74.45 110.878 -169.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 . . . . . 0 CA--C 1.551 0.981 0 N-CA-C 107.43 -1.322 . . . . 73.44 107.43 171.482 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 CA--C 1.564 1.485 0 CA-C-O 119.926 -0.083 . . . . 75.13 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -58.49 158.53 22.9 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 123.268 2.646 . . . . 73.24 113.056 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -45.8 -50.07 10.09 Favored 'Trans proline' 0 C--N 1.391 2.801 0 C-N-CA 123.836 3.024 . . . . 75.33 113.782 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -53.99 -41.04 67.48 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 123.918 0.761 . . . . 75.22 112.084 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.76 -35.92 77.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.298 0.639 . . . . 74.32 111.171 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.42 -53.52 53.74 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.597 0.561 . . . . 74.1 109.998 171.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -62.1 -31.01 71.41 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 123.939 0.774 . . . . 74.2 112.18 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -66.31 -42.12 88.73 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.01 0.924 . . . . 74.5 109.918 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 66.9 m -75.45 -27.08 58.77 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.905 -1.043 . . . . 65.01 111.207 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -81.38 75.67 8.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.185 0.594 . . . . 75.52 109.784 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.56 HG11 ' HE2' ' B' ' 53' ' ' LYS . 31.3 m -126.55 170.36 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.494 1.118 . . . . 70.24 109.144 175.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -68.72 159.99 31.19 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.172 0.589 . . . . 64.43 110.893 -174.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -53.74 -51.6 75.07 Favored Pre-proline 0 CA--C 1.564 1.496 0 C-N-CA 124.434 1.094 . . . . 70.03 113.377 -173.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 39.1 Cg_endo -64.52 -35.62 47.56 Favored 'Trans proline' 0 C--N 1.39 2.719 0 C-N-CA 121.523 1.482 . . . . 63.41 112.251 175.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 9.8 m -62.5 -32.36 73.26 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 124.079 0.951 . . . . 74.43 111.863 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 64.3 mt -57.4 -48.72 78.35 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.128 0.971 . . . . 72.21 110.532 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -69.05 -30.76 69.17 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.74 -0.664 . . . . 71.2 111.677 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 21.2 mm-40 -63.6 -39.51 94.55 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.132 0.573 . . . . 74.53 110.78 175.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.52 HD23 HG21 ' B' ' 50' ' ' ILE . 96.3 mt -68.91 -34.96 76.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.579 0.752 . . . . 71.44 110.605 175.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 82.0 mt -66.8 -44.51 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.662 0.785 . . . . 64.41 110.224 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.27 -41.72 89.48 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.825 0.85 . . . . 72.32 110.659 -178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.49 -38.0 74.3 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.732 0.813 . . . . 65.24 111.569 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' B' ' 103' ' ' LEU . . . -72.21 -28.58 63.27 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.421 0.688 . . . . 74.42 111.797 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -79.0 -38.3 37.04 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.036 0.534 . . . . 74.32 110.028 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.68 -42.31 91.44 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.409 1.083 . . . . 71.12 111.735 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 97.2 mt -96.35 -9.37 30.2 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.514 0.726 . . . . 74.33 111.605 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 38.9 t0 51.31 68.18 0.83 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.9 1.28 . . . . 74.31 111.242 -174.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.419 HG12 ' HA ' ' B' ' 24' ' ' SER . 30.9 mt -117.96 92.23 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 106.958 -1.497 . . . . 74.41 106.958 173.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.34 -36.46 19.11 Favored Pre-proline 0 CA--C 1.561 1.386 0 C-N-CA 124.103 0.961 . . . . 73.14 113.013 177.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -50.45 -33.51 38.31 Favored 'Trans proline' 0 C--N 1.398 3.158 0 C-N-CA 122.324 2.016 . . . . 75.41 113.993 166.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.482 HD11 ' HB1' ' B' ' 95' ' ' ALA . 0.8 OUTLIER -80.39 -50.91 9.48 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.231 -0.655 . . . . 72.44 109.231 177.005 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.39 -51.94 67.76 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.591 1.156 . . . . 74.41 111.828 -171.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.07 -38.69 91.6 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 124.415 1.072 . . . . 74.3 111.451 -173.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.79 -45.33 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.504 0.722 . . . . 71.1 110.546 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.7 m -69.01 -31.03 69.56 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.968 0.507 . . . . 73.11 110.953 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.25 -33.23 71.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.639 0.776 . . . . 74.45 110.642 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -70.7 -38.79 73.7 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.905 0.482 . . . . 74.01 110.244 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 28.8 m -61.77 -52.86 62.5 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.869 0.73 . . . . 60.24 111.131 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.534 ' HA ' ' HE3' ' B' ' 114' ' ' MET . 34.5 m -66.79 -32.54 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.675 -0.693 . . . . 74.35 111.248 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.5 85.83 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 123.225 0.61 . . . . 72.11 110.662 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -66.66 -25.86 66.77 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.56 0.744 . . . . 75.32 111.78 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.534 ' HE3' ' HA ' ' B' ' 111' ' ' VAL . 41.7 mtm -70.02 -48.75 56.76 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 120.958 0.408 . . . . 72.12 110.481 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.0 pt -85.52 -3.81 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 115.683 -0.689 . . . . 75.43 111.827 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 . . . . . 0 N--CA 1.474 0.772 0 C-N-CA 124.74 1.216 . . . . 74.42 110.979 -177.803 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.475 0.179 . . . . 74.5 111.021 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.6 m -103.86 143.81 15.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 N-CA-C 108.474 -0.936 . . . . 75.2 108.474 164.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.509 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 90.5 mttt -94.75 121.67 36.57 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 109.543 -0.54 . . . . 64.52 109.543 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 mt -116.15 91.09 3.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.716 0.806 . . . . 73.15 109.237 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.536 ' HG3' HG23 ' A' ' 13' ' ' VAL . 2.3 mp0 -74.85 119.17 18.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.622 -0.51 . . . . 74.05 109.622 176.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.2 p -66.32 178.7 1.13 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.832 0.453 . . . . 75.11 110.986 170.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -62.79 -29.34 70.64 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.925 0.49 . . . . 72.33 110.491 173.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 33.8 t70 -83.8 8.67 14.03 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.163 0.985 . . . . 73.23 111.179 177.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 70.74 7.13 6.11 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.245 1.418 . . . . 75.05 113.295 172.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -71.46 121.52 18.78 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.33 -0.619 . . . . 74.34 109.33 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG23 ' HG3' ' A' ' 7' ' ' GLU . 34.7 t -86.86 96.39 5.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 C-N-CA 124.394 1.077 . . . . 75.41 109.489 -173.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -82.39 87.5 6.61 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.503 0.721 . . . . 74.13 109.773 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.509 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 34.6 mt-10 -78.08 88.94 4.19 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.941 -1.027 . . . . 74.11 109.061 176.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 tt -119.9 156.03 22.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.07 0.948 . . . . 75.4 108.729 -173.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.96 139.2 56.97 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.969 0.507 . . . . 75.51 110.725 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -58.63 -31.91 68.54 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 124.08 0.862 . . . . 74.3 110.738 -178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.09 -40.73 90.58 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.738 0.815 . . . . 72.33 111.753 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 59' ' ' ARG . 24.6 mt -76.19 -34.71 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 115.516 -0.765 . . . . 65.23 109.975 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.475 ' HB2' HG23 ' A' ' 27' ' ' ILE . . . -67.86 -28.96 67.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.716 -0.675 . . . . 54.13 111.438 174.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.1 m -75.84 -23.15 55.71 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.371 0.668 . . . . 63.13 111.449 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.8 mtp -62.45 -25.38 67.94 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 122.909 0.484 . . . . 64.54 110.416 171.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -76.73 115.26 16.34 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.275 -1.009 . . . . 75.2 108.275 161.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.79 -31.84 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.313 0.645 . . . . 64.13 110.414 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.8 m -68.0 -47.13 69.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.96 0.504 . . . . 74.44 111.172 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' ' 21' ' ' ALA . 1.7 mp -72.49 -34.96 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.245 -0.65 . . . . 64.42 109.245 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -56.11 -51.5 67.67 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.462 0.705 . . . . 71.24 110.192 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -61.68 -39.46 91.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 115.168 -0.924 . . . . 74.34 111.043 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.494 ' O ' HG12 ' A' ' 34' ' ' ILE . 60.2 mtt -60.25 -55.6 31.8 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.06 0.544 . . . . 75.45 110.418 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.9 -48.37 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.528 0.731 . . . . 73.31 110.526 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.36 -36.14 73.98 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.739 0.416 . . . . 74.13 111.984 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -67.67 -37.85 82.92 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 123.519 0.728 . . . . 72.32 110.987 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 30' ' ' MET . 48.0 mm -72.98 -39.42 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 115.791 -0.64 . . . . 71.31 109.39 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.28 23.24 8.15 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 115.717 -0.674 . . . . 73.43 112.691 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 72.28 126.32 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.063 1.745 . . . . 74.15 110.674 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.9 m -144.09 159.29 42.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.688 0.756 . . . . 71.45 111.374 -175.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.91 -12.76 60.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.12 -1.4 . . . . 73.13 110.831 175.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m -63.45 131.79 94.94 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.048 0.939 . . . . 75.32 110.816 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 44.6 Cg_endo -68.56 160.23 50.19 Favored 'Trans proline' 0 C--N 1.373 1.86 0 C-N-CA 122.595 2.197 . . . . 74.11 111.54 171.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.0 mm -107.94 95.87 16.06 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 108.931 -0.766 . . . . 73.51 108.931 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -78.89 131.08 9.88 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.016 1.811 . . . . 74.41 111.262 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 mt -108.93 87.79 4.91 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.872 1.269 . . . . 73.52 108.74 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.83 -5.95 14.91 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 123.131 2.554 . . . . 74.32 113.571 -171.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.7 -41.66 20.99 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.37 0.668 . . . . 74.2 110.567 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -101.81 136.65 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 123.234 0.614 . . . . 63.21 110.445 -173.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.8 p -80.1 171.91 14.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.447 0.699 . . . . 75.33 110.732 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.403 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 36.0 p -64.69 -47.59 77.81 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.624 0.77 . . . . 71.24 111.966 -176.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.2 p -61.02 -36.57 79.87 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.292 1.037 . . . . 74.44 112.324 -176.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.497 HG23 HD23 ' A' ' 91' ' ' LEU . 42.4 mm -81.05 -47.18 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 115.845 -0.616 . . . . 73.12 109.899 -178.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.1 -30.45 71.61 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.832 0.853 . . . . 74.32 111.042 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.18 -51.26 68.53 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 123.478 0.711 . . . . 73.32 110.794 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' HD2' HD22 ' A' ' 91' ' ' LEU . 36.3 mttm -63.83 -41.88 97.76 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 123.986 0.804 . . . . 64.32 110.549 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.644 HG12 ' HG ' ' A' ' 103' ' ' LEU . 75.5 t -60.83 -51.07 77.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 114.728 -1.124 . . . . 55.02 110.348 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.3 mt -72.42 -28.71 63.14 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.779 -0.646 . . . . 75.11 111.772 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.88 -51.37 48.9 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.963 0.905 . . . . 75.33 110.668 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -59.57 -48.53 81.29 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.74 -0.664 . . . . 73.35 110.413 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.674 ' SG ' HG21 ' A' ' 100' ' ' ILE . 78.7 m -65.18 -31.88 73.28 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.056 0.848 . . . . 75.34 111.731 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.512 ' HA ' HD13 ' A' ' 20' ' ' ILE . 55.8 ttp180 -64.22 -51.35 64.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.464 0.705 . . . . 74.31 110.204 175.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -63.82 -34.62 78.33 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.888 0.875 . . . . 75.23 111.405 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -76.34 -19.02 58.61 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.305 0.642 . . . . 73.43 110.007 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -82.81 -30.67 28.64 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.926 0.491 . . . . 75.42 110.136 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 24.8 mm-40 -70.32 -35.43 73.64 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.588 -0.523 . . . . 64.22 109.588 176.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 CA--C 1.545 0.764 0 N-CA-C 108.329 -0.989 . . . . 74.13 108.329 175.013 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.4 mm . . . . . 0 CA--C 1.551 0.987 0 N-CA-C 110.01 -0.367 . . . . 70.41 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.79 127.29 18.37 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 122.275 1.983 . . . . 75.34 111.34 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -50.93 -26.54 18.52 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.434 2.756 . . . . 74.1 113.114 172.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -53.19 -49.27 67.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.211 1.404 . . . . 75.01 111.906 175.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.26 -39.01 93.4 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.207 1.003 . . . . 74.32 111.163 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -72.83 -33.6 66.27 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.074 -0.967 . . . . 73.5 110.418 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.527 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 60.5 m-20 -79.5 -22.58 43.82 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.464 -0.789 . . . . 73.53 111.615 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.57 -33.42 75.88 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.311 0.645 . . . . 75.25 109.827 170.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.1 m -70.88 -11.48 60.99 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.138 -0.937 . . . . 72.32 112.505 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.527 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 32.1 mmtp -82.17 74.01 9.18 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.518 -0.549 . . . . 75.23 109.518 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.413 HG13 HD13 ' A' ' 91' ' ' LEU . 24.5 m -131.71 171.51 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.754 1.222 . . . . 72.11 108.561 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.67 156.78 38.43 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.04 -0.356 . . . . 72.44 110.04 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -55.76 -51.79 77.49 Favored Pre-proline 0 CA--C 1.568 1.659 0 C-N-CA 124.099 0.96 . . . . 75.43 111.058 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 22.3 Cg_exo -68.51 -39.85 8.74 Favored 'Trans proline' 0 C--N 1.387 2.594 0 C-N-CA 121.649 1.566 . . . . 73.52 112.405 176.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.6 m -57.36 -32.05 66.38 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.336 1.054 . . . . 74.02 111.763 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.91 -46.54 89.03 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.979 1.312 . . . . 70.31 109.526 177.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -73.18 -30.63 63.68 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.594 -0.73 . . . . 74.44 111.643 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -60.77 -35.77 77.28 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.456 0.473 . . . . 72.21 110.708 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.497 HD23 HG23 ' A' ' 50' ' ' ILE . 96.0 mt -68.69 -34.36 75.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.54 0.736 . . . . 75.14 111.323 176.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 43.7 mt -69.9 -41.49 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 123.171 0.588 . . . . 74.21 110.137 175.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.26 -38.98 92.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.828 0.851 . . . . 74.13 110.498 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.84 -34.52 64.56 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.731 0.812 . . . . 71.31 110.935 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.492 ' HB1' HD13 ' A' ' 103' ' ' LEU . . . -70.21 -29.79 66.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.404 0.682 . . . . 75.53 111.46 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -79.89 -42.06 24.93 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.802 0.841 . . . . 74.25 110.004 173.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -63.22 -36.14 82.65 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.848 0.859 . . . . 74.45 111.58 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.529 HD13 HG11 ' A' ' 54' ' ' VAL . 60.3 mt -95.61 -19.54 19.68 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.087 0.555 . . . . 74.43 110.572 177.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.6 t0 50.38 68.37 0.77 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.402 1.481 . . . . 70.54 111.932 -174.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.674 HG21 ' SG ' ' A' ' 58' ' ' CYS . 25.8 mt -104.46 114.89 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 107.494 -1.299 . . . . 71.31 107.494 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -63.41 -48.75 81.3 Favored Pre-proline 0 CA--C 1.563 1.457 0 CA-C-O 118.603 -0.713 . . . . 74.31 112.743 -171.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.03 -44.02 26.86 Favored 'Trans proline' 0 C--N 1.392 2.833 0 C-N-CA 121.874 1.716 . . . . 62.12 113.21 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.644 ' HG ' HG12 ' A' ' 54' ' ' VAL . 1.6 tm? -63.96 -51.04 66.23 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.347 0.659 . . . . 72.14 109.668 -175.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.85 -44.64 91.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 114.994 -1.003 . . . . 72.32 110.769 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.406 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 23.9 t70 -65.01 -51.23 62.79 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.365 -0.834 . . . . 60.11 110.903 -175.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.82 -46.18 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.627 0.771 . . . . 70.23 111.397 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 13.2 m -72.16 -32.47 66.9 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.204 0.602 . . . . 71.51 111.945 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 98.3 m -70.93 -39.35 72.7 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.804 0.442 . . . . 70.14 110.185 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 105' ' ' ASP . 1.5 mptm? -67.25 -30.38 70.26 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.586 0.755 . . . . 73.43 110.872 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.2 m -57.35 -45.76 84.03 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.013 0.525 . . . . 74.04 110.543 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.512 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 13.0 t -71.42 -40.88 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.301 178.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.27 -30.33 71.05 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.224 -0.898 . . . . 73.53 111.353 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -70.89 -34.52 71.67 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.67 0.788 . . . . 71.41 110.907 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.512 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 42.2 mtm -69.86 -33.51 72.35 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.737 0.415 . . . . 71.31 111.095 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.4 pt -99.87 -2.71 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.962 0.505 . . . . 73.12 112.043 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -57.73 -54.96 41.03 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.056 0.942 . . . . 75.32 112.367 -170.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.372 0 N-CA-C 110.152 -1.179 . . . . 72.01 110.152 -170.742 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.513 0.197 . . . . 63.32 110.5 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.0 mt -78.99 133.13 36.85 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.347 0.659 . . . . 74.42 110.88 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 29.0 m -104.89 143.45 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.318 -0.993 . . . . 74.11 108.318 164.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.555 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 91.1 mttt -94.31 121.9 36.31 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.043 0.537 . . . . 73.22 109.875 -176.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.24 91.19 3.52 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.544 0.738 . . . . 74.24 109.459 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.521 ' HG3' HG23 ' B' ' 13' ' ' VAL . 2.8 mp0 -74.45 119.48 18.7 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.522 -0.548 . . . . 75.41 109.522 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -66.83 178.95 1.19 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.754 0.421 . . . . 71.42 110.96 171.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p -62.91 -29.19 70.59 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.046 0.539 . . . . 71.45 110.505 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.22 7.79 17.94 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 124.345 1.058 . . . . 75.52 111.386 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 71.92 6.84 5.72 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 125.063 1.345 . . . . 73.25 113.502 172.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -71.12 121.51 18.42 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.506 -0.554 . . . . 71.31 109.506 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.521 HG23 ' HG3' ' B' ' 7' ' ' GLU . 38.7 t -87.29 96.65 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 124.096 0.959 . . . . 70.54 109.379 -173.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.37 86.9 6.64 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.454 0.702 . . . . 75.53 109.797 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.555 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.3 mt-10 -77.32 88.86 3.73 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.912 -1.04 . . . . 63.52 109.018 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.1 tt -119.86 155.58 22.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.936 0.894 . . . . 74.51 108.903 -173.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.98 138.75 57.36 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.192 0.597 . . . . 72.02 110.55 -177.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -58.31 -31.77 67.84 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 124.065 0.853 . . . . 72.1 110.821 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.1 -41.54 92.76 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.94 0.896 . . . . 72.51 111.556 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' B' ' 59' ' ' ARG . 24.0 mt -75.35 -34.74 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.559 0.744 . . . . 74.55 109.971 -179.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.469 ' HB2' HG23 ' B' ' 27' ' ' ILE . . . -68.02 -28.73 67.66 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.715 -0.675 . . . . 74.23 111.456 174.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 74.0 m -76.39 -21.71 55.7 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.498 0.719 . . . . 74.2 111.566 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.86 -24.89 67.92 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.928 0.491 . . . . 73.44 110.551 170.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -77.08 115.01 16.49 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 108.267 -1.012 . . . . 75.24 108.267 161.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.36 -31.87 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.134 0.574 . . . . 73.1 110.408 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -67.94 -47.03 69.81 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.155 0.582 . . . . 71.53 111.275 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.469 HG23 ' HB2' ' B' ' 21' ' ' ALA . 1.7 mp -72.86 -35.03 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 N-CA-C 109.203 -0.665 . . . . 74.22 109.203 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -56.03 -51.29 68.33 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.562 0.745 . . . . 75.45 110.058 172.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -61.65 -40.05 93.53 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.09 -0.959 . . . . 74.13 110.887 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.477 ' O ' HG12 ' B' ' 34' ' ' ILE . 60.0 mtt -59.86 -55.57 32.59 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 123.555 0.535 . . . . 73.41 110.476 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.09 -48.52 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 123.917 0.761 . . . . 72.12 110.544 -175.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.29 -35.91 74.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.293 0.37 . . . . 75.13 111.996 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.59 -38.21 83.69 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.252 0.621 . . . . 75.41 110.897 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.477 HG12 ' O ' ' B' ' 30' ' ' MET . 49.0 mm -73.54 -37.75 50.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.794 -0.639 . . . . 75.22 109.358 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.93 23.39 8.67 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 115.873 -0.603 . . . . 74.12 112.743 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 72.32 125.4 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.113 1.765 . . . . 74.15 110.272 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 74.4 m -142.56 160.48 40.21 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.598 0.713 . . . . 65.33 111.218 -175.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.91 -12.56 59.97 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.036 -1.438 . . . . 75.3 110.92 173.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.4 m -64.97 130.57 94.92 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.051 0.94 . . . . 73.5 110.814 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . 0.499 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 41.7 Cg_endo -68.18 160.51 48.52 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.318 2.012 . . . . 71.43 111.538 172.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -107.58 95.59 14.43 Favored Pre-proline 0 CA--C 1.547 0.865 0 N-CA-C 108.979 -0.748 . . . . 73.13 108.979 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.66 129.93 9.48 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.095 1.864 . . . . 75.32 111.276 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -108.1 88.41 4.68 Favored Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 124.587 1.155 . . . . 75.32 108.919 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -79.71 -5.06 13.85 Favored 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.987 2.458 . . . . 75.04 113.655 -171.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -81.98 -41.92 20.08 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.471 0.708 . . . . 72.35 110.369 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -101.56 136.88 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.455 0.702 . . . . 73.45 110.412 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 53.3 p -80.21 171.8 14.6 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.297 0.639 . . . . 74.13 110.896 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.4 p -64.69 -47.5 78.13 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.733 0.813 . . . . 73.24 112.135 -177.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 38.0 p -61.07 -36.42 79.58 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.257 1.023 . . . . 73.51 112.053 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.487 HG23 HD23 ' B' ' 91' ' ' LEU . 42.2 mm -80.91 -47.46 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 123.21 0.604 . . . . 75.04 110.059 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.2 tp -63.28 -30.29 71.46 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.878 0.871 . . . . 74.23 111.011 -178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.03 -51.29 68.59 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.545 0.738 . . . . 72.23 110.631 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.499 ' HD2' HD22 ' B' ' 91' ' ' LEU . 37.2 mttm -63.9 -42.02 97.55 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 123.713 0.633 . . . . 75.11 110.642 -177.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.641 HG12 ' HG ' ' B' ' 103' ' ' LEU . 77.4 t -60.7 -50.74 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.68 -1.145 . . . . 73.11 110.436 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.9 -28.68 62.62 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.26 0.624 . . . . 75.12 111.864 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -68.3 -50.21 55.18 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.016 0.926 . . . . 75.33 110.897 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -60.57 -48.49 81.52 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.632 -0.713 . . . . 74.21 110.33 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.663 ' SG ' HG21 ' B' ' 100' ' ' ILE . 79.9 m -65.28 -31.55 72.74 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.921 0.763 . . . . 75.13 111.771 -178.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.508 ' HA ' HD13 ' B' ' 20' ' ' ILE . 54.7 ttp180 -64.77 -51.11 64.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.374 0.669 . . . . 74.21 110.024 175.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -63.27 -35.47 80.47 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.155 0.909 . . . . 72.21 111.496 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -75.55 -19.93 58.99 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.269 0.628 . . . . 73.53 109.882 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -82.59 -30.43 29.54 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.941 0.496 . . . . 74.31 110.07 171.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 26.0 mm-40 -70.21 -34.09 72.48 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 109.811 -0.44 . . . . 64.42 109.811 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 108.314 -0.995 . . . . 75.33 108.314 175.51 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mm . . . . . 0 CA--C 1.551 1.003 0 N-CA-C 110.201 -0.296 . . . . 74.43 110.201 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.76 128.05 20.1 Favored 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 122.221 1.947 . . . . 73.1 111.121 -176.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.6 -26.28 22.14 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 123.122 2.548 . . . . 72.11 113.293 172.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -54.13 -48.65 70.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.274 1.43 . . . . 71.52 111.834 175.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.21 -38.9 92.98 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.206 1.002 . . . . 73.34 111.098 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -72.19 -34.26 68.29 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.068 -0.969 . . . . 74.41 110.547 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.523 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 53.8 m-20 -79.55 -21.89 44.54 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.356 -0.838 . . . . 54.25 111.787 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -65.5 -33.52 76.13 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.159 0.584 . . . . 73.54 109.861 170.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.06 -10.67 60.15 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.145 -0.934 . . . . 74.52 112.632 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.523 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 32.6 mmtp -82.18 73.89 9.19 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.199 0.599 . . . . 72.25 109.708 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.428 HG13 HD13 ' B' ' 91' ' ' LEU . 29.4 m -132.75 170.29 20.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 C-N-CA 124.979 1.312 . . . . 74.41 108.313 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -69.8 157.89 36.51 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 110.019 -0.363 . . . . 74.34 110.019 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.43 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 0.9 OUTLIER -56.61 -51.85 78.03 Favored Pre-proline 0 CA--C 1.571 1.77 0 C-N-CA 123.75 0.82 . . . . 73.45 111.091 -179.347 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . 0.43 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 21.7 Cg_exo -68.63 -39.82 8.46 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.815 1.677 . . . . 72.04 112.484 175.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 85.2 m -57.1 -32.16 66.02 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.195 0.998 . . . . 73.14 111.778 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.94 -46.43 89.43 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.78 1.232 . . . . 75.03 109.569 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -73.32 -30.52 63.41 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.679 -0.691 . . . . 74.05 111.694 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.72 -35.57 76.67 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.941 0.496 . . . . 74.23 110.644 173.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.499 HD22 ' HD2' ' B' ' 53' ' ' LYS . 95.7 mt -69.07 -34.44 75.15 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.634 0.774 . . . . 74.41 111.285 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 44.6 mt -69.91 -41.54 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 123.13 0.572 . . . . 75.24 110.057 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.17 -38.87 92.62 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.795 0.838 . . . . 75.31 110.532 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.08 -34.46 64.01 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.692 0.797 . . . . 74.11 110.888 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.491 ' HB1' HD13 ' B' ' 103' ' ' LEU . . . -70.22 -29.68 66.57 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.333 0.653 . . . . 71.11 111.49 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -80.06 -41.48 25.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.833 0.853 . . . . 75.44 110.058 173.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -63.72 -35.53 80.87 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.9 0.88 . . . . 74.11 111.678 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.535 HD13 HG11 ' B' ' 54' ' ' VAL . 60.3 mt -96.4 -19.19 19.38 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.037 0.535 . . . . 75.32 110.594 177.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 28.7 t0 50.41 67.28 0.95 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.444 1.498 . . . . 73.11 111.962 -174.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.663 HG21 ' SG ' ' B' ' 58' ' ' CYS . 25.5 mt -103.6 115.07 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 107.569 -1.271 . . . . 64.33 107.569 174.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -63.41 -49.14 80.13 Favored Pre-proline 0 CA--C 1.562 1.429 0 CA-C-O 118.56 -0.733 . . . . 74.42 112.768 -171.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -61.1 -43.9 27.15 Favored 'Trans proline' 0 C--N 1.392 2.851 0 C-N-CA 121.859 1.706 . . . . 62.0 113.142 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.641 ' HG ' HG12 ' B' ' 54' ' ' VAL . 1.6 tm? -63.76 -51.08 66.46 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.361 0.664 . . . . 75.53 109.713 -175.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.88 -44.44 91.12 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.044 -0.98 . . . . 64.4 110.728 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' B' ' 109' ' ' LYS . 23.7 t70 -64.67 -51.78 60.72 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.015 0.822 . . . . 71.13 110.841 -175.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.82 -46.0 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.715 0.806 . . . . 72.13 111.373 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.5 m -72.15 -32.61 67.05 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.15 0.58 . . . . 74.13 111.908 -175.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 96.1 m -71.02 -39.25 72.48 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.763 0.425 . . . . 75.13 110.094 175.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' B' ' 105' ' ' ASP . 1.4 mptm? -67.47 -30.29 69.96 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.603 0.761 . . . . 73.35 110.879 175.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 85.0 m -57.27 -46.04 83.47 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 123.585 0.553 . . . . 70.53 110.571 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.521 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 13.0 t -71.17 -40.74 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 121.065 0.46 . . . . 71.44 110.26 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.5 71.35 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.156 -0.929 . . . . 62.23 111.466 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -69.88 -35.84 74.98 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.364 0.666 . . . . 71.25 110.689 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.521 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 44.3 mtm -69.22 -32.79 72.27 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.025 0.53 . . . . 74.32 111.311 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.9 pt -100.68 -2.59 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.097 0.559 . . . . 71.31 111.79 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 . . . . . 0 N--CA 1.483 1.222 0 C-N-CA 123.875 0.87 . . . . 74.12 112.52 -170.413 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.4 mt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.649 -0.13 . . . . 73.33 110.649 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.9 m -85.78 130.86 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 109.42 -0.585 . . . . 73.34 109.42 168.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.536 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 89.2 mttt -86.17 83.14 7.81 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.088 -0.96 . . . . 75.11 109.88 -174.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.02 90.13 5.97 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.3 0.64 . . . . 74.04 110.195 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -79.07 134.27 36.76 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.651 -0.704 . . . . 72.14 110.01 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.9 p -87.0 175.17 8.26 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 124.057 0.943 . . . . 74.51 110.707 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p -70.0 -13.74 62.37 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.288 0.635 . . . . 74.44 111.413 173.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.447 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 27.9 t70 -91.77 5.32 50.3 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.307 1.043 . . . . 74.2 110.316 175.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 77.97 -2.96 2.42 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.185 1.394 . . . . 71.32 112.794 173.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -77.07 125.44 29.33 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 121.171 -0.955 . . . . 75.24 110.367 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -95.28 110.13 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 124.56 1.144 . . . . 73.14 110.214 -174.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.58 95.23 7.47 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.49 0.716 . . . . 74.15 109.436 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 31.8 mt-10 -79.81 78.73 6.38 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.056 -0.975 . . . . 73.45 109.64 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.414 HG13 ' NH2' ' A' ' 59' ' ' ARG . 20.5 tt -103.33 157.73 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 108.885 -0.783 . . . . 73.5 108.885 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 133.6 55.33 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.355 0.662 . . . . 75.34 110.159 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -58.88 -36.86 75.34 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.109 0.881 . . . . 73.11 111.42 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.26 -30.55 68.37 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.98 0.912 . . . . 75.44 112.22 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.9 mt -80.9 -36.68 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.21 0.604 . . . . 74.22 109.898 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.32 -16.18 62.97 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.825 -0.625 . . . . 74.01 111.991 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.4 m -75.05 -26.72 59.62 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.508 0.723 . . . . 74.4 111.01 173.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.6 mtp -63.33 -32.67 74.16 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.33 0.652 . . . . 74.43 109.635 173.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.596 ' HA ' HG12 ' A' ' 100' ' ' ILE . 44.5 t -73.95 105.16 5.08 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.862 -1.063 . . . . 52.13 108.251 164.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.4 t -67.17 -36.48 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 119.273 -0.394 . . . . 65.25 111.555 -172.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.43 HG22 ' HE1' ' A' ' 30' ' ' MET . 95.7 m -64.47 -48.87 73.62 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.603 0.361 . . . . 71.41 111.587 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.89 -42.25 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.818 0.447 . . . . 75.12 110.021 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -55.43 -50.23 70.34 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.079 0.952 . . . . 73.21 110.196 173.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.02 -32.46 74.02 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.349 -0.842 . . . . 72.42 111.084 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.43 ' HE1' HG22 ' A' ' 26' ' ' THR . 64.7 mtt -65.04 -49.41 70.26 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.109 0.564 . . . . 72.34 110.403 177.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -61.65 -39.61 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.632 0.773 . . . . 71.3 110.49 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.85 -34.24 62.25 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.459 0.704 . . . . 72.42 111.704 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.27 -38.91 71.83 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.59 0.756 . . . . 73.05 110.755 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -74.2 -29.82 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.176 -0.92 . . . . 73.32 109.473 172.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.1 -56.2 0.75 Allowed Glycine 0 C--N 1.344 1.027 0 N-CA-C 111.086 -0.806 . . . . 74.24 111.086 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -138.51 123.91 19.42 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.588 1.155 . . . . 74.44 108.435 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 m -126.64 85.3 2.36 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.053 0.454 . . . . 70.02 110.869 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.78 -34.7 26.96 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.683 -0.689 . . . . 65.1 109.983 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -63.16 144.5 97.36 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.676 0.79 . . . . 74.01 110.706 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 73.9 Cg_exo -52.88 118.74 5.08 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.969 2.446 . . . . 75.44 112.803 178.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -73.04 111.31 11.0 Favored Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 108.715 -0.846 . . . . 73.14 108.715 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -85.9 123.3 2.38 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.474 2.116 . . . . 63.3 111.103 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.7 mt -107.22 94.27 10.9 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 107.971 -1.122 . . . . 71.32 107.971 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.17 -1.75 10.57 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 123.43 2.754 . . . . 71.32 114.463 -172.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -140.19 72.44 1.4 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.208 0.527 . . . . 74.35 110.847 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.3 p -174.2 123.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 114.726 -1.125 . . . . 74.1 108.37 165.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.2 p -69.16 154.14 42.55 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.91 0.484 . . . . 71.4 110.167 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.447 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 57.5 p -60.69 -47.85 84.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.8 0.84 . . . . 73.34 112.898 -171.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.472 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 40.0 p -58.82 -46.86 86.67 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 124.05 0.844 . . . . 73.42 111.195 -177.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.545 HG21 HD21 ' A' ' 91' ' ' LEU . 49.2 mm -69.31 -42.44 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.291 0.636 . . . . 74.12 110.595 -178.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.02 -41.94 88.98 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.731 0.644 . . . . 65.4 110.276 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.3 -47.17 87.2 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.828 0.851 . . . . 73.5 110.92 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 49' ' ' THR . 31.0 mtpp -59.09 -43.98 91.88 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 124.03 0.831 . . . . 72.12 111.208 -178.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.8 t -69.44 -43.64 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 115.525 -0.761 . . . . 70.43 110.474 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.25 -32.99 73.56 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.237 0.615 . . . . 74.14 111.632 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.32 -44.5 68.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.501 0.721 . . . . 75.35 109.624 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.44 ' CD2' HD21 ' A' ' 103' ' ' LEU . 89.0 t80 -60.58 -45.96 92.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.218 -0.447 . . . . 75.43 110.551 175.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 85.5 m -59.81 -36.33 76.54 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.712 0.632 . . . . 74.54 110.656 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.414 ' NH2' HG13 ' A' ' 16' ' ' ILE . 35.2 ttm180 -65.69 -42.05 91.66 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.836 0.454 . . . . 75.23 110.92 175.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -62.79 -45.24 93.58 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.227 0.611 . . . . 74.51 111.025 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -78.37 -14.41 59.41 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.666 -0.697 . . . . 73.31 110.664 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -79.37 -37.48 37.26 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 109.652 -0.499 . . . . 74.54 109.652 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 85.9 mm-40 -72.84 -24.37 60.88 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.503 0.721 . . . . 72.31 110.869 176.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 . . . . . 0 CA--C 1.548 0.883 0 C-N-CA 124.008 0.923 . . . . 74.32 108.661 174.746 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.7 mm . . . . . 0 CA--C 1.558 1.278 0 N-CA-C 109.633 -0.506 . . . . 73.2 109.633 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -66.33 152.45 80.99 Favored 'Trans proline' 0 C--N 1.377 2.077 0 C-N-CA 122.367 2.045 . . . . 74.42 111.934 173.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.09 -30.89 72.7 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.865 2.377 . . . . 73.41 111.925 172.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -56.54 -50.91 70.47 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 123.778 0.831 . . . . 72.53 111.992 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.21 -32.94 73.66 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.718 0.807 . . . . 74.4 111.265 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -65.44 -46.38 80.12 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.995 -0.548 . . . . 74.13 109.948 173.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.19 -24.65 64.08 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.745 -0.661 . . . . 72.43 112.055 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 58.9 t80 -69.64 -38.55 77.21 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.671 0.788 . . . . 65.43 109.071 175.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.428 ' SG ' HG23 ' A' ' 110' ' ' THR . 65.3 m -71.84 -24.31 61.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.805 -1.089 . . . . 71.24 111.348 177.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.95 76.66 2.18 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.099 0.56 . . . . 71.35 110.099 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.439 HG11 ' HE2' ' A' ' 53' ' ' LYS . 16.3 m -142.49 156.6 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.859 1.264 . . . . 74.43 108.203 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.33 164.18 23.45 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.185 0.594 . . . . 74.13 109.872 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.502 ' HA ' HD13 ' A' ' 88' ' ' LEU . 26.0 tp60 -56.56 -48.68 96.68 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 112.907 0.706 . . . . 71.34 112.907 -176.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.47 -35.41 96.08 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 121.871 1.714 . . . . 74.32 112.67 172.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 m -69.58 -29.98 67.65 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.737 0.815 . . . . 74.1 111.314 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 85' ' ' GLN . 78.2 mt -59.72 -47.09 87.02 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.729 0.812 . . . . 74.12 110.187 171.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -65.83 -30.06 70.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.496 0.718 . . . . 74.32 111.576 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -66.38 -37.16 84.65 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.506 0.722 . . . . 71.43 111.595 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.545 HD21 HG21 ' A' ' 50' ' ' ILE . 93.1 mt -67.93 -36.53 80.3 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.052 0.541 . . . . 72.13 110.497 175.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.417 HD13 HD13 ' B' ' 92' ' ' ILE . 77.7 mt -67.2 -41.85 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.662 0.785 . . . . 73.41 109.954 175.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.95 -48.39 79.11 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.317 0.647 . . . . 73.41 110.724 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.07 -42.88 88.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.411 0.684 . . . . 72.11 111.227 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.59 93.25 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.076 0.551 . . . . 75.13 111.624 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -74.06 -32.61 63.37 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.129 0.572 . . . . 74.32 110.759 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -72.04 -38.97 69.41 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.143 0.977 . . . . 72.14 110.771 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.8 mt -91.33 -6.77 52.54 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.778 0.831 . . . . 74.53 111.057 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 t70 54.22 65.05 1.62 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.838 1.255 . . . . 71.32 110.203 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.596 HG12 ' HA ' ' A' ' 24' ' ' SER . 35.2 mt -120.39 90.96 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 107.015 -1.476 . . . . 75.21 107.015 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -57.18 -45.46 99.92 Favored Pre-proline 0 CA--C 1.564 1.5 0 CA-C-O 118.131 -0.937 . . . . 75.43 111.318 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -49.34 -56.98 2.63 Favored 'Trans proline' 0 C--N 1.396 3.04 0 C-N-CA 122.193 1.929 . . . . 72.13 114.213 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 57' ' ' TYR . 2.6 tm? -67.21 -39.16 86.26 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.838 0.455 . . . . 75.02 110.537 -175.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.584 HD21 HD21 ' B' ' 104' ' ' LEU . 49.7 tp -62.06 -40.91 97.4 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.889 0.743 . . . . 73.32 110.233 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.5 -38.92 65.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.614 -0.721 . . . . 74.02 110.581 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.53 -46.15 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.984 0.514 . . . . 74.14 110.043 175.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.3 m -65.41 -41.06 94.0 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.031 0.532 . . . . 63.45 110.889 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.439 ' HB3' HD21 ' B' ' 93' ' ' LEU . 97.2 m -65.57 -39.48 91.71 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.533 0.733 . . . . 73.11 110.745 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.8 -51.26 63.12 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.844 0.458 . . . . 75.01 109.886 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.428 HG23 ' SG ' ' A' ' 81' ' ' CYS . 98.4 m -58.07 -51.19 70.71 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.802 0.841 . . . . 72.13 112.03 -175.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.435 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 26.8 m -61.42 -34.4 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 122.674 0.389 . . . . 74.04 110.902 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.503 ' HA ' HD13 ' A' ' 115' ' ' ILE . . . -73.62 -34.18 64.91 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.601 0.76 . . . . 72.41 111.933 177.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -73.52 -39.41 64.81 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.952 0.501 . . . . 74.43 111.148 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.435 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 59.3 mtm -70.36 -40.41 74.07 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.034 0.534 . . . . 75.54 111.526 -175.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' B' ' 86' ' ' PRO . 18.6 pt -69.8 -24.57 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 C-N-CA 123.057 0.543 . . . . 74.23 111.893 179.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -90.16 -19.59 24.07 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.461 0.704 . . . . 74.41 110.616 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.321 0 CA-C-O 118.999 -0.89 . . . . 45.24 112.475 -178.001 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.617 0.246 . . . . 75.13 110.654 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.8 mt -81.75 117.42 22.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.036 0.534 . . . . 71.24 110.642 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 m -86.08 129.68 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 109.502 -0.555 . . . . 74.42 109.502 169.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.536 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 88.1 mttt -85.43 83.41 7.95 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.097 -0.956 . . . . 71.11 109.872 -174.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.49 89.74 6.18 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.753 -0.658 . . . . 74.45 110.209 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -78.76 134.41 37.03 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.71 -0.677 . . . . 73.31 109.956 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 54.1 p -86.69 176.49 7.74 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 123.982 0.913 . . . . 71.32 110.672 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.1 p -70.78 -13.92 62.23 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.129 0.572 . . . . 70.03 111.291 172.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . 0.427 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 28.2 t70 -92.06 4.85 52.2 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.549 1.14 . . . . 73.5 110.517 175.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 77.94 -2.51 2.47 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.228 1.411 . . . . 73.04 112.771 172.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -76.7 125.64 29.61 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 121.399 -0.813 . . . . 74.44 110.063 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.59 111.76 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.582 1.153 . . . . 73.34 109.984 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -98.72 95.36 7.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.833 0.853 . . . . 74.24 109.525 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 31.9 mt-10 -81.02 78.21 7.85 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.158 -0.928 . . . . 74.52 109.527 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.419 HG13 ' NH2' ' B' ' 59' ' ' ARG . 20.5 tt -102.61 158.06 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.074 -0.713 . . . . 74.11 109.074 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.1 133.04 54.65 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.367 0.667 . . . . 53.22 110.085 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -58.3 -36.81 73.89 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.23 0.956 . . . . 75.41 111.541 -176.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.25 -29.76 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.969 0.908 . . . . 75.12 112.281 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 39.3 mt -81.18 -36.9 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 C-N-CA 123.313 0.645 . . . . 73.4 109.803 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.43 -16.15 62.91 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.906 -0.588 . . . . 74.43 112.065 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 75.7 m -74.11 -28.94 61.6 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.339 0.655 . . . . 62.13 110.54 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 81.1 mtp -60.94 -33.21 72.82 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.473 0.709 . . . . 74.53 109.939 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.594 ' HA ' HG12 ' B' ' 100' ' ' ILE . 44.3 t -73.72 105.77 5.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.704 -1.134 . . . . 75.13 108.224 165.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.38 -36.77 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 122.577 0.351 . . . . 74.41 111.621 -172.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 95.4 m -63.95 -49.4 72.71 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.737 0.415 . . . . 74.54 111.613 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.8 -42.18 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 122.804 0.442 . . . . 71.32 109.983 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -55.2 -50.31 69.7 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.086 0.954 . . . . 75.43 110.211 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -64.35 -32.17 73.67 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.426 -0.806 . . . . 65.44 111.09 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.8 mtt -64.96 -49.25 71.04 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.152 0.581 . . . . 74.02 110.398 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.81 -39.56 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 123.644 0.777 . . . . 65.5 110.567 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -74.23 -35.33 63.85 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.465 0.706 . . . . 71.44 111.724 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.23 -39.67 74.95 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.682 0.793 . . . . 74.32 110.614 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.73 -28.33 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 115.385 -0.825 . . . . 73.42 109.727 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.15 -58.19 0.77 Allowed Glycine 0 C--N 1.345 1.046 0 N-CA-C 110.906 -0.878 . . . . 74.1 110.906 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -137.01 125.12 22.95 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.59 1.156 . . . . 73.02 107.983 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 32.8 m -127.89 81.12 2.0 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.81 0.444 . . . . 74.25 110.877 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -79.79 -32.85 40.87 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 115.773 -0.648 . . . . 72.14 110.125 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.0 m -64.13 144.63 98.27 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 123.752 0.821 . . . . 63.15 110.846 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . 0.438 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 73.3 Cg_exo -52.36 120.8 7.91 Favored 'Trans proline' 0 C--N 1.384 2.419 0 C-N-CA 122.791 2.327 . . . . 73.14 112.368 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -74.94 112.01 15.92 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 108.761 -0.829 . . . . 75.15 108.761 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -85.56 124.55 2.73 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.67 2.246 . . . . 63.45 111.161 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.5 mt -108.33 93.83 12.23 Favored Pre-proline 0 CA--C 1.544 0.744 0 N-CA-C 107.998 -1.112 . . . . 75.23 107.998 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -71.6 -2.73 11.8 Favored 'Trans proline' 0 C--N 1.383 2.369 0 C-N-CA 123.392 2.728 . . . . 74.34 114.306 -172.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -139.29 72.53 1.4 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.258 0.551 . . . . 74.0 110.806 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 11.5 p -174.32 124.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 114.748 -1.115 . . . . 73.22 108.341 165.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 42.3 p -70.06 154.19 42.25 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.915 0.486 . . . . 74.34 110.085 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 65.8 p -60.51 -48.07 83.39 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.985 0.914 . . . . 71.55 112.839 -172.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.479 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 36.3 p -58.9 -46.99 86.55 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.049 0.843 . . . . 75.31 110.895 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.561 HG21 HD21 ' B' ' 91' ' ' LEU . 49.5 mm -69.01 -42.28 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.25 0.62 . . . . 71.45 110.922 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.16 -42.33 90.47 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.392 0.677 . . . . 75.41 110.225 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.67 -46.46 89.65 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.91 0.884 . . . . 71.32 110.712 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' B' ' 49' ' ' THR . 31.0 mtpp -58.72 -44.23 90.37 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.925 0.766 . . . . 72.32 111.281 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 98.1 t -70.08 -43.2 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-N 115.472 -0.785 . . . . 73.21 110.625 -177.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.33 -33.3 74.05 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.282 0.633 . . . . 73.55 111.443 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.36 -44.31 68.37 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.486 0.715 . . . . 73.45 109.709 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . 0.438 ' CD2' HD21 ' B' ' 103' ' ' LEU . 88.6 t80 -60.63 -45.79 92.74 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.768 0.427 . . . . 72.22 110.446 175.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 89.5 m -59.59 -36.72 76.82 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 123.814 0.696 . . . . 71.03 110.683 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.419 ' NH2' HG13 ' B' ' 16' ' ' ILE . 35.1 ttm180 -65.06 -42.48 94.15 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.998 0.519 . . . . 74.51 110.996 175.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -62.59 -45.59 92.19 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.182 0.593 . . . . 73.34 110.866 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -77.68 -14.22 59.68 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.587 -0.733 . . . . 74.31 110.846 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -80.39 -36.12 34.35 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.645 -0.502 . . . . 74.34 109.645 173.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -73.53 -24.49 60.14 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.288 0.635 . . . . 65.23 110.71 175.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 . . . . . 0 CA--C 1.551 1.0 0 C-N-CA 124.118 0.967 . . . . 72.44 108.513 174.74 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 CA--C 1.555 1.138 0 N-CA-C 109.825 -0.435 . . . . 73.44 109.825 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -65.98 152.5 81.19 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.512 2.142 . . . . 75.44 111.813 173.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.8 -31.26 71.53 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 123.005 2.47 . . . . 74.21 111.973 172.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -56.3 -50.29 71.83 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.65 0.78 . . . . 71.43 112.105 175.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.05 -32.4 73.76 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.748 0.819 . . . . 74.42 111.334 -176.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -65.51 -46.63 78.9 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.83 0.707 . . . . 73.41 109.873 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.56 -24.26 63.68 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.319 0.648 . . . . 63.22 112.069 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.41 ' CZ ' HD23 ' B' ' 103' ' ' LEU . 58.8 t80 -70.1 -38.47 75.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.598 0.759 . . . . 73.33 109.175 175.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . 0.444 ' SG ' HG23 ' B' ' 110' ' ' THR . 72.4 m -72.04 -24.9 61.61 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.833 -1.076 . . . . 73.33 111.443 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -74.68 78.44 2.03 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.938 0.495 . . . . 74.2 109.745 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.432 HG11 ' HE2' ' B' ' 53' ' ' LYS . 16.4 m -143.8 154.72 15.9 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 C-N-CA 125.03 1.332 . . . . 73.01 107.86 175.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -67.99 163.55 21.98 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.302 0.641 . . . . 61.4 109.657 -175.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.486 ' HA ' HD13 ' B' ' 88' ' ' LEU . 27.4 tp60 -56.3 -47.35 99.04 Favored Pre-proline 0 N--CA 1.488 1.466 0 CA-C-O 118.84 -0.6 . . . . 72.0 112.524 -176.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . 0.587 ' HA ' HD12 ' A' ' 115' ' ' ILE . 24.3 Cg_endo -60.34 -35.41 91.38 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 121.522 1.482 . . . . 72.54 113.631 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.1 m -69.87 -29.6 66.86 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 123.977 0.911 . . . . 75.22 111.241 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' B' ' 85' ' ' GLN . 77.9 mt -59.17 -47.41 85.39 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.837 0.855 . . . . 74.12 110.662 171.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.405 ' CD2' HD11 ' A' ' 115' ' ' ILE . 59.0 m-85 -66.73 -29.38 69.35 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.45 -0.795 . . . . 63.53 111.698 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -66.4 -36.83 83.82 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.61 0.764 . . . . 64.45 111.692 173.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.561 HD21 HG21 ' B' ' 50' ' ' ILE . 94.1 mt -67.91 -36.72 80.67 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.169 0.588 . . . . 75.42 110.421 175.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.417 HD13 HD13 ' A' ' 92' ' ' ILE . 77.0 mt -67.12 -41.8 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.675 0.79 . . . . 74.23 109.921 175.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.439 HD21 ' HB3' ' A' ' 108' ' ' CYS . 10.9 mt -61.89 -49.52 75.88 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.288 0.635 . . . . 73.51 111.045 176.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.42 89.22 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.906 0.754 . . . . 73.12 111.093 -174.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.54 92.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.03 0.532 . . . . 75.32 111.255 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -73.76 -34.54 64.74 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.006 0.522 . . . . 73.33 110.698 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -70.84 -38.26 73.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.862 0.865 . . . . 75.34 110.783 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 89.0 mt -91.4 -6.92 52.1 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.757 0.823 . . . . 71.43 110.976 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.9 t70 54.19 65.51 1.49 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.959 1.303 . . . . 73.13 110.081 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.594 HG12 ' HA ' ' B' ' 24' ' ' SER . 35.6 mt -120.51 91.25 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 107.029 -1.471 . . . . 72.5 107.029 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -57.79 -44.94 99.8 Favored Pre-proline 0 CA--C 1.567 1.601 0 CA-C-O 118.008 -0.996 . . . . 75.53 111.282 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -49.35 -57.08 2.56 Favored 'Trans proline' 0 C--N 1.396 3.039 0 C-N-CA 122.169 1.913 . . . . 72.23 114.207 173.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' B' ' 57' ' ' TYR . 2.6 tm? -67.27 -38.94 85.91 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.804 0.442 . . . . 75.41 110.527 -175.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 104' ' ' LEU . 53.1 tp -61.89 -42.28 98.88 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.922 0.764 . . . . 75.04 110.384 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -73.46 -38.07 65.57 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.541 -0.754 . . . . 63.22 110.21 -175.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.15 -46.56 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 122.955 0.502 . . . . 74.12 110.001 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 56.6 m -65.23 -40.87 94.64 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.199 0.6 . . . . 72.2 111.115 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 93.1 m -66.19 -37.42 85.56 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.559 0.744 . . . . 74.23 110.876 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.94 -51.1 59.34 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.739 0.416 . . . . 72.45 109.882 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' THR . . . . . 0.444 HG23 ' SG ' ' B' ' 81' ' ' CYS . 98.6 m -57.51 -51.33 69.89 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.039 0.837 . . . . 72.11 111.949 -175.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.4 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 35.6 m -61.82 -34.69 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 122.73 0.412 . . . . 72.31 110.714 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.1 -34.84 66.43 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.347 0.659 . . . . 73.4 111.275 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -72.59 -40.3 66.67 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.173 0.589 . . . . 64.13 110.944 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.4 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 63.6 mtm -70.31 -40.02 74.47 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.014 0.526 . . . . 75.54 111.479 -175.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.6 pt -71.0 -22.34 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 122.665 0.386 . . . . 73.23 111.792 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 . . . . . 0 N--CA 1.48 1.068 0 C-N-CA 123.669 0.787 . . . . 75.25 110.743 173.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 CA--C 1.538 0.499 0 N-CA-C 109.254 -0.647 . . . . 75.15 109.254 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' ' 38' ' ' ASP . 13.8 m -89.25 136.01 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 109.062 -0.718 . . . . 74.31 109.062 168.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.536 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 64.2 mttp -83.8 120.0 25.51 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.585 -0.734 . . . . 74.51 109.674 -178.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.461 HD23 HD13 ' A' ' 27' ' ' ILE . 9.2 mp -109.41 95.83 5.88 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.563 0.745 . . . . 71.32 109.265 177.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -80.75 121.85 26.42 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.91 -0.774 . . . . 75.52 108.91 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -82.35 174.99 10.61 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.349 0.66 . . . . 73.44 110.811 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.6 t -65.59 -22.08 66.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.93 0.892 . . . . 70.21 111.181 172.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.45 5.12 36.64 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.951 0.901 . . . . 71.02 111.031 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 74.01 5.45 4.74 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.938 1.295 . . . . 73.15 112.784 171.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -90.79 127.72 36.44 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.019 0.528 . . . . 73.43 109.888 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.6 t -96.33 124.05 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 C-N-CA 124.294 1.038 . . . . 75.24 110.447 -175.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -109.4 106.46 16.25 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.398 1.079 . . . . 75.51 109.119 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 41.4 mt-10 -77.98 83.38 4.29 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.104 0.562 . . . . 73.22 109.487 178.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.5 151.97 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 108.7 -0.852 . . . . 72.21 108.7 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.15 132.36 53.45 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.272 0.629 . . . . 64.12 109.435 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -53.42 -40.5 65.19 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.089 0.868 . . . . 74.54 111.351 -175.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -61.08 -33.91 74.07 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.953 0.901 . . . . 73.31 112.446 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.4 mt -79.05 -31.84 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.371 0.668 . . . . 72.01 110.123 177.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.3 -21.05 59.91 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.161 0.584 . . . . 74.31 111.92 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.6 m -73.48 -23.23 60.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.566 0.746 . . . . 64.15 111.765 175.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.414 ' HE3' ' HB3' ' A' ' 61' ' ' HIS . 79.7 mtp -60.84 -38.05 84.15 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.442 0.639 . . . . 74.54 110.293 173.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.42 ' HA ' HG12 ' A' ' 100' ' ' ILE . 48.0 t -73.72 112.86 10.22 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 114.545 -1.207 . . . . 74.11 108.434 170.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.58 -45.08 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 123.177 0.591 . . . . 72.15 111.219 -175.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.436 HG23 ' HE1' ' A' ' 30' ' ' MET . 42.4 m -64.84 -48.93 72.56 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.093 0.557 . . . . 71.05 111.864 -177.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.461 HD13 HD23 ' A' ' 6' ' ' LEU . 92.8 mt -62.61 -41.31 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 C-N-CA 123.181 0.592 . . . . 74.45 110.399 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -56.98 -47.66 80.25 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.091 0.956 . . . . 74.1 110.249 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -65.52 -32.65 74.36 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.43 0.692 . . . . 75.44 111.291 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.436 ' HE1' HG23 ' A' ' 26' ' ' THR . 61.9 mtt -63.76 -43.99 94.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.193 0.597 . . . . 74.43 110.718 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.56 -43.26 87.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.585 -0.734 . . . . 74.54 110.121 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.7 -27.91 65.39 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.556 0.743 . . . . 75.52 111.833 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.14 -39.49 71.95 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.492 0.717 . . . . 62.13 110.315 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.6 mt -79.81 -11.5 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 CA-C-N 115.19 -0.914 . . . . 72.15 109.502 172.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.88 -73.23 1.18 Allowed Glycine 0 C--N 1.348 1.221 0 N-CA-C 110.64 -0.984 . . . . 34.35 110.64 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -137.79 107.39 6.2 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.386 -0.968 . . . . 75.32 108.386 177.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.7 p -141.56 106.39 4.92 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.056 0.542 . . . . 72.23 111.033 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.55 ' HA ' HG12 ' A' ' 4' ' ' VAL . 8.8 p-10 -89.48 -17.03 29.45 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.832 0.853 . . . . 74.35 109.828 168.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -56.95 151.66 32.33 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 124.936 1.295 . . . . 74.54 111.757 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.16 105.91 0.13 Allowed 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 123.266 2.644 . . . . 75.43 114.03 -173.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -71.39 108.58 4.04 Favored Pre-proline 0 CA--C 1.558 1.255 0 N-CA-C 108.229 -1.026 . . . . 75.05 108.229 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.11 126.36 7.77 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.352 2.034 . . . . 75.24 111.06 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.6 mt -115.31 88.27 18.19 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.139 0.976 . . . . 71.21 108.702 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -85.78 62.74 5.41 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.564 2.843 . . . . 74.25 111.414 -174.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -161.94 -58.02 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.004 -0.998 . . . . 75.45 108.846 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.63 128.64 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 CA-C-N 115.468 -0.787 . . . . 72.25 110.037 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.8 p -80.26 175.7 10.42 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.235 0.614 . . . . 73.42 110.703 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.9 p -65.79 -47.82 73.83 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.57 0.748 . . . . 74.22 112.38 -173.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.8 p -63.28 -39.33 94.29 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.633 0.773 . . . . 72.12 111.134 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.636 HG21 HD22 ' A' ' 91' ' ' LEU . 50.4 mm -72.81 -46.52 52.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.23 -0.896 . . . . 75.54 109.765 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 6' ' ' LEU . 44.9 tp -62.7 -34.67 77.63 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.345 0.658 . . . . 73.44 111.203 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.5 -51.82 67.84 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.03 0.932 . . . . 72.12 110.152 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HB3' ' HE1' ' A' ' 80' ' ' PHE . 28.4 mtmm -62.12 -41.94 98.74 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.101 -0.954 . . . . 73.53 111.904 178.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.417 ' HA ' HD22 ' A' ' 103' ' ' LEU . 40.8 t -63.26 -45.89 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 C-N-CA 123.74 0.816 . . . . 74.31 110.781 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.03 -36.0 72.2 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.938 0.495 . . . . 74.41 111.171 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.465 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 33.3 t70 -70.83 -35.62 72.54 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.77 0.669 . . . . 71.34 110.654 -177.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.705 ' HH ' HG23 ' A' ' 106' ' ' VAL . 66.4 t80 -66.23 -44.98 82.27 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.976 -0.556 . . . . 74.12 109.751 174.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.38 -30.61 71.32 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.778 0.831 . . . . 75.4 111.738 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HD2' ' HA ' ' A' ' 56' ' ' ASP . 90.2 mtt-85 -56.99 -53.91 52.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.106 0.563 . . . . 74.52 110.531 172.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -59.11 -42.72 91.2 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 123.704 0.627 . . . . 75.14 111.395 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.414 ' HB3' ' HE3' ' A' ' 23' ' ' MET . 61.9 t-80 -63.26 -31.91 73.18 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 123.879 0.737 . . . . 73.04 111.245 -178.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -82.76 -46.31 13.29 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.638 0.775 . . . . 74.24 112.124 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -70.94 -28.35 64.42 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.889 0.875 . . . . 74.21 110.89 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 . . . . . 0 C--O 1.242 0.706 0 N-CA-C 107.321 -1.363 . . . . 71.31 107.321 170.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm . . . . . 0 CA--C 1.563 1.462 0 N-CA-C 111.829 0.307 . . . . 74.53 111.829 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.9 148.37 88.9 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.866 2.377 . . . . 74.41 113.45 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.44 -57.27 2.45 Favored 'Trans proline' 0 C--N 1.387 2.605 0 C-N-CA 124.613 3.542 . . . . 64.0 115.527 -171.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -52.75 -45.84 67.22 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.228 0.611 . . . . 75.21 111.202 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.82 -26.96 62.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.686 1.194 . . . . 73.1 110.529 -171.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -74.11 -37.06 64.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.797 0.839 . . . . 74.21 110.326 173.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -70.46 -28.4 64.98 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.863 0.465 . . . . 72.0 110.922 174.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.414 ' HE1' ' HB3' ' A' ' 53' ' ' LYS . 79.8 t80 -63.52 -36.14 82.79 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.834 0.854 . . . . 74.14 110.487 175.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.8 m -65.7 -28.65 69.22 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.66 -0.7 . . . . 75.34 111.69 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -91.08 86.98 6.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.14 0.576 . . . . 71.25 109.716 -177.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.77 -179.23 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.26 1.024 . . . . 64.21 109.283 173.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.31 152.15 45.86 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.499 0.72 . . . . 73.5 109.554 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -59.09 -53.5 65.71 Favored Pre-proline 0 CA--C 1.569 1.694 0 C-N-CA 123.625 0.77 . . . . 75.02 112.692 -172.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.428 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 53.7 Cg_exo -57.29 -43.51 51.74 Favored 'Trans proline' 0 C--N 1.39 2.734 0 C-N-CA 122.163 1.909 . . . . 61.24 112.728 171.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.1 m -57.86 -33.56 68.8 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.595 1.158 . . . . 71.54 112.024 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.44 -45.42 83.9 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.958 0.903 . . . . 72.24 109.239 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -67.38 -31.15 71.19 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.961 -0.563 . . . . 75.11 111.414 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 23.5 mm-40 -66.4 -36.65 83.36 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.974 0.51 . . . . 72.25 111.105 175.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.636 HD22 HG21 ' A' ' 50' ' ' ILE . 97.6 mt -68.16 -35.77 78.6 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.487 0.715 . . . . 72.12 110.815 175.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.58 -46.03 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.364 0.666 . . . . 63.25 109.977 175.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.39 -38.68 92.09 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.852 0.861 . . . . 72.55 111.022 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.78 -37.52 70.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.685 0.794 . . . . 70.41 111.152 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.502 ' HB3' HD13 ' A' ' 103' ' ' LEU . . . -69.16 -29.03 66.97 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.397 0.679 . . . . 75.24 111.719 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' B' ' 105' ' ' ASP . 20.5 t30 -76.22 -50.02 15.6 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.882 0.873 . . . . 75.22 110.336 172.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -61.67 -36.34 80.55 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.34 1.056 . . . . 74.12 111.93 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.8 mt -99.54 -13.01 19.63 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.6 0.76 . . . . 70.14 111.119 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.1 t70 47.11 82.84 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.435 1.494 . . . . 74.4 112.09 -172.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 24' ' ' SER . 38.5 mt -125.83 103.55 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 107.431 -1.322 . . . . 72.45 107.431 174.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -57.1 -46.64 99.84 Favored Pre-proline 0 CA--C 1.561 1.388 0 C-N-CA 124.095 0.958 . . . . 74.12 113.432 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.3 -38.39 94.95 Favored 'Trans proline' 0 C--N 1.397 3.094 0 C-N-CA 122.147 1.898 . . . . 74.15 113.516 174.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -70.71 -46.95 62.15 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.914 -0.773 . . . . 73.22 108.914 -179.165 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.3 tp -65.11 -47.91 75.5 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.632 -1.167 . . . . 74.14 111.012 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.504 ' HA ' ' ND2' ' B' ' 96' ' ' ASN . 34.7 t70 -62.15 -51.01 69.58 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 124.23 0.956 . . . . 72.33 110.736 -175.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.705 HG23 ' HH ' ' A' ' 57' ' ' TYR . 37.6 t -61.09 -52.65 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 O-C-N 124.217 0.948 . . . . 73.1 112.373 -177.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.443 HG23 ' HB2' ' A' ' 91' ' ' LEU . 31.1 m -68.96 -41.13 78.41 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 111.976 0.361 . . . . 73.12 111.976 -172.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 85.7 m -70.07 -30.61 67.9 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.039 0.536 . . . . 73.41 110.88 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.404 ' HB2' ' HE3' ' A' ' 109' ' ' LYS . 31.9 ttmt -73.52 -32.16 64.09 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.435 0.694 . . . . 74.24 110.068 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.1 m -62.91 -49.03 76.41 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.392 0.677 . . . . 74.44 111.399 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.429 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 14.9 p -65.05 -33.21 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 123.028 0.205 . . . . 65.41 110.453 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.25 -30.3 70.16 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.671 0.788 . . . . 74.03 111.797 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -79.12 -31.08 44.04 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.675 0.79 . . . . 63.12 110.671 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.429 ' HE3' ' HA ' ' A' ' 111' ' ' VAL . 41.1 mtm -70.53 -43.9 68.65 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.975 0.51 . . . . 75.31 110.472 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 pt -71.78 -32.73 45.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 N-CA-C 109.592 -0.521 . . . . 74.01 109.592 175.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 54.42 82.87 0.08 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.067 1.347 . . . . 74.43 111.703 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.251 0 CA-C-O 118.98 -0.9 . . . . 64.13 113.133 178.019 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.689 0.281 . . . . 75.33 110.436 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 80.5 mt -87.03 121.84 30.04 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.771 -0.65 . . . . 73.32 109.605 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' B' ' 38' ' ' ASP . 12.7 m -87.56 136.09 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.985 -0.746 . . . . 73.33 108.985 169.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.561 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 64.1 mttp -83.96 120.23 25.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.581 -0.736 . . . . 74.03 109.656 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.465 HD23 HD13 ' B' ' 27' ' ' ILE . 9.2 mp -109.7 95.54 5.67 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.683 0.793 . . . . 73.32 109.265 177.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.64 121.99 26.54 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.017 -0.735 . . . . 73.4 109.017 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -82.51 175.19 10.4 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 123.381 0.673 . . . . 75.12 111.114 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -64.33 -24.28 67.59 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.049 0.94 . . . . 64.44 111.17 172.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -85.63 5.79 30.29 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.817 0.847 . . . . 75.23 110.849 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 73.31 6.4 5.16 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.785 1.234 . . . . 75.24 112.822 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.06 128.54 37.94 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.029 0.531 . . . . 73.32 109.724 176.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 80.3 t -97.72 123.37 50.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 124.242 1.017 . . . . 75.3 110.334 -174.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.92 106.19 16.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.303 1.041 . . . . 73.44 109.171 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.561 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 40.3 mt-10 -77.89 83.13 4.23 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 123.228 0.611 . . . . 75.12 109.498 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.16 151.92 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.338 -0.846 . . . . 75.52 108.816 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.48 132.42 53.85 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 109.368 -0.604 . . . . 74.4 109.368 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -53.64 -39.82 65.32 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 124.119 0.887 . . . . 72.55 111.454 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.07 -35.92 78.24 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 124.058 0.849 . . . . 73.3 111.862 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 52.1 mt -76.73 -32.52 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 123.769 0.828 . . . . 73.44 110.333 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.36 -20.58 60.03 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.107 0.563 . . . . 63.22 112.036 176.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 74.4 m -74.05 -22.99 59.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.675 0.79 . . . . 72.33 111.679 175.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' MET . . . . . 0.408 ' HE3' ' HB3' ' B' ' 61' ' ' HIS . 81.9 mtp -61.5 -37.79 84.99 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.454 0.645 . . . . 73.0 110.203 173.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.438 ' HA ' HG12 ' B' ' 100' ' ' ILE . 48.4 t -73.55 112.97 10.14 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.563 -1.199 . . . . 73.21 108.579 169.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 97.3 t -63.81 -45.3 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 123.285 0.634 . . . . 74.04 111.324 -175.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.412 HG23 ' HE1' ' B' ' 30' ' ' MET . 38.0 m -64.32 -48.71 74.57 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.202 0.601 . . . . 74.25 112.09 -177.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.465 HD13 HD23 ' B' ' 6' ' ' LEU . 93.5 mt -62.99 -41.51 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 123.235 0.614 . . . . 73.32 110.26 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -56.35 -48.4 76.87 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.195 0.998 . . . . 73.04 110.331 174.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.92 -31.86 73.03 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.496 0.718 . . . . 74.14 111.284 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.412 ' HE1' HG23 ' B' ' 26' ' ' THR . 60.6 mtt -64.53 -43.7 93.16 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.183 0.593 . . . . 74.42 110.639 177.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.22 -43.01 88.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.577 -0.738 . . . . 74.3 110.067 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -70.42 -27.9 64.64 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.747 0.819 . . . . 73.34 112.04 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -70.16 -41.22 74.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.716 0.806 . . . . 70.14 110.234 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 57.7 mt -77.6 -14.49 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 CA-C-N 114.987 -1.006 . . . . 74.52 109.461 172.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.59 -73.1 0.9 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 110.741 -0.944 . . . . 63.1 110.741 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -137.48 107.13 6.19 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 108.389 -0.967 . . . . 73.14 108.389 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 38.4 p -142.03 106.61 4.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.255 0.622 . . . . 73.31 111.073 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . 0.549 ' HA ' HG12 ' B' ' 4' ' ' VAL . 8.8 p-10 -91.54 -12.96 32.95 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.67 0.788 . . . . 73.22 110.045 169.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -58.87 151.91 51.86 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 124.73 1.212 . . . . 51.12 111.593 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.23 106.69 0.15 Allowed 'Trans proline' 0 C--N 1.386 2.504 0 C-N-CA 123.237 2.625 . . . . 72.21 113.777 -174.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -72.34 108.97 4.92 Favored Pre-proline 0 CA--C 1.555 1.137 0 N-CA-C 108.009 -1.108 . . . . 73.22 108.009 171.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.7 127.61 8.88 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.242 1.961 . . . . 72.12 110.834 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.1 mt -116.68 88.11 23.74 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.051 0.94 . . . . 73.11 108.666 -177.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -85.73 63.12 5.51 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 123.65 2.9 . . . . 75.35 111.679 -173.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -162.62 -56.8 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.009 -0.996 . . . . 73.33 108.882 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.52 128.46 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 115.382 -0.826 . . . . 74.43 110.119 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 77.4 p -79.86 174.76 11.26 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.216 0.607 . . . . 72.23 110.617 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 70.5 p -64.75 -48.18 75.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.445 0.698 . . . . 50.41 112.233 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -63.32 -39.01 93.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.735 0.814 . . . . 72.21 111.045 -176.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.639 HG21 HD22 ' B' ' 91' ' ' LEU . 50.2 mm -72.95 -46.7 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.232 -0.894 . . . . 71.01 109.719 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.445 HD21 ' HB3' ' B' ' 6' ' ' LEU . 45.2 tp -62.5 -34.83 77.64 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.572 0.749 . . . . 75.02 111.124 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -52.04 66.79 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.997 0.919 . . . . 72.35 109.952 176.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.402 ' HB3' ' HE1' ' B' ' 80' ' ' PHE . 28.4 mtmm -61.93 -41.65 98.19 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.087 -0.961 . . . . 71.2 111.802 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.424 ' HA ' HD22 ' B' ' 103' ' ' LEU . 40.8 t -63.35 -45.58 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 123.751 0.821 . . . . 72.53 110.86 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.4 -36.18 71.28 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 116.108 -0.496 . . . . 70.13 111.179 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . 0.445 ' HA ' ' HD2' ' B' ' 59' ' ' ARG . 35.8 t70 -71.21 -35.46 71.52 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.834 0.709 . . . . 73.12 110.717 -177.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . 0.702 ' HH ' HG23 ' B' ' 106' ' ' VAL . 66.8 t80 -65.52 -45.06 84.96 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 122.937 0.495 . . . . 74.24 109.88 174.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 92.7 m -62.43 -30.45 71.24 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.62 0.768 . . . . 73.51 111.74 177.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.445 ' HD2' ' HA ' ' B' ' 56' ' ' ASP . 90.4 mtt-85 -57.23 -53.75 54.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.081 0.553 . . . . 73.32 110.507 172.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -59.17 -43.35 92.14 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 123.653 0.596 . . . . 75.43 111.431 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.408 ' HB3' ' HE3' ' B' ' 23' ' ' MET . 63.1 t-80 -62.48 -33.65 75.28 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.984 0.803 . . . . 73.25 111.125 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -80.95 -46.96 14.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.495 0.718 . . . . 75.41 111.825 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -70.45 -27.94 64.64 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.023 0.929 . . . . 73.21 111.003 -174.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 107.2 -1.407 . . . . 74.41 107.2 171.113 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm . . . . . 0 CA--C 1.563 1.467 0 N-CA-C 111.778 0.288 . . . . 75.14 111.778 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.61 148.26 88.31 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.89 2.393 . . . . 75.11 113.19 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.63 -55.75 3.81 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 124.664 3.576 . . . . 74.52 115.459 -171.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -53.66 -46.87 70.73 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.342 0.657 . . . . 74.5 111.29 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.49 -27.05 63.91 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.647 1.179 . . . . 74.13 110.385 -172.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -74.27 -37.52 63.7 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.041 0.937 . . . . 54.35 110.38 173.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . 0.451 ' HA ' ' HE2' ' B' ' 82' ' ' LYS . 13.7 m-20 -69.31 -30.45 68.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.796 0.439 . . . . 75.21 110.671 174.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.402 ' HE1' ' HB3' ' B' ' 53' ' ' LYS . 78.4 t80 -61.82 -36.43 81.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.143 0.977 . . . . 62.45 110.451 176.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 58.2 m -65.78 -28.98 69.42 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.644 -0.707 . . . . 73.32 111.653 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' B' ' 79' ' ' ASP . 49.0 mtmt -90.5 89.21 7.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.1 0.56 . . . . 73.31 109.515 -178.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -128.1 -179.78 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.436 1.094 . . . . 72.11 109.069 173.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.73 152.63 45.29 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.444 0.698 . . . . 74.15 109.488 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -59.2 -53.81 62.54 Favored Pre-proline 0 CA--C 1.569 1.704 0 CA-C-O 118.257 -0.878 . . . . 74.03 112.799 -172.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . 0.425 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 53.7 Cg_exo -56.76 -43.71 52.05 Favored 'Trans proline' 0 C--N 1.392 2.85 0 C-N-CA 122.163 1.909 . . . . 72.15 112.463 171.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 87.5 m -57.75 -33.46 68.5 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.434 1.093 . . . . 75.41 112.209 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.74 -45.0 84.26 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.66 0.784 . . . . 75.32 109.25 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.404 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 35.0 m-85 -67.73 -31.14 70.85 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.879 -0.601 . . . . 75.54 111.324 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 33.2 mm-40 -66.54 -36.64 83.17 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.021 0.528 . . . . 74.3 111.107 176.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.639 HD22 HG21 ' B' ' 50' ' ' ILE . 97.6 mt -68.15 -35.34 77.93 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.626 0.77 . . . . 73.55 110.899 175.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.81 -46.22 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.452 0.701 . . . . 74.53 110.021 175.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 95.3 mt -63.43 -38.69 92.11 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.808 0.843 . . . . 72.35 110.911 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.72 -37.59 70.6 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.554 0.741 . . . . 72.12 111.077 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.492 ' HB3' HD13 ' B' ' 103' ' ' LEU . . . -69.28 -29.13 66.94 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.372 0.669 . . . . 51.33 111.65 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . 0.504 ' ND2' ' HA ' ' A' ' 105' ' ' ASP . 21.2 t30 -76.39 -50.24 14.69 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.57 0.748 . . . . 75.01 110.136 172.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -61.4 -35.82 78.59 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.329 1.052 . . . . 64.42 111.881 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.6 mt -99.92 -12.81 19.49 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.7 0.8 . . . . 73.14 111.223 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 38.2 t70 47.53 81.31 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.696 1.598 . . . . 64.23 112.222 -173.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.438 HG12 ' HA ' ' B' ' 24' ' ' SER . 37.5 mt -124.71 103.11 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 107.445 -1.317 . . . . 74.33 107.445 175.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -56.79 -46.5 99.84 Favored Pre-proline 0 CA--C 1.562 1.406 0 C-N-CA 124.044 0.938 . . . . 74.32 113.472 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.55 -38.29 94.29 Favored 'Trans proline' 0 C--N 1.397 3.131 0 C-N-CA 122.049 1.833 . . . . 65.54 113.535 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' B' ' 95' ' ' ALA . 0.2 OUTLIER -70.75 -46.92 62.1 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.886 -0.783 . . . . 73.31 108.886 -179.145 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 38.8 tp -65.37 -47.69 75.51 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 114.594 -1.184 . . . . 64.12 111.086 -172.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.432 ' HA ' ' ND2' ' A' ' 96' ' ' ASN . 34.1 t70 -61.88 -51.76 66.86 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 124.065 0.853 . . . . 75.22 110.534 -175.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.702 HG23 ' HH ' ' B' ' 57' ' ' TYR . 37.5 t -60.61 -52.94 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 124.274 0.984 . . . . 64.04 112.421 -177.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.451 HG23 ' HB2' ' B' ' 91' ' ' LEU . 31.2 m -68.59 -41.12 80.08 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 111.997 0.369 . . . . 71.43 111.997 -172.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.42 -29.97 66.72 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.961 0.504 . . . . 74.54 111.093 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -73.75 -32.87 64.05 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.599 0.759 . . . . 73.22 109.898 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 98.5 m -62.54 -49.42 75.39 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.711 0.804 . . . . 64.33 111.247 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.446 ' HA ' ' HE3' ' B' ' 114' ' ' MET . 14.9 p -64.71 -33.18 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 122.997 0.186 . . . . 70.04 110.559 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.42 -28.78 67.37 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.599 0.76 . . . . 70.45 111.611 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -79.38 -31.73 42.92 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.644 0.778 . . . . 74.3 110.738 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.446 ' HE3' ' HA ' ' B' ' 111' ' ' VAL . 39.7 mtm -70.3 -42.63 71.77 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.051 0.54 . . . . 74.22 110.533 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.1 pt -72.75 -32.74 41.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 N-CA-C 109.679 -0.489 . . . . 74.42 109.679 175.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? . . . . . 0 C--N 1.36 1.028 0 C-N-CA 125.08 1.352 . . . . 75.11 111.655 175.74 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.2 mt . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 110.388 -0.227 . . . . 75.31 110.388 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 m -91.11 130.71 39.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 108.867 -0.79 . . . . 63.43 108.867 166.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.512 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 96.4 mttt -85.33 94.65 9.0 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.639 0.776 . . . . 74.14 109.793 -174.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.443 HD13 HD12 ' A' ' 27' ' ' ILE . 81.8 mt -93.17 92.49 7.79 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.681 -0.488 . . . . 63.21 109.681 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 43.2 tt0 -75.67 135.4 40.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.536 -0.756 . . . . 75.14 109.386 175.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.7 p -82.05 175.47 10.32 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 123.561 0.744 . . . . 74.21 110.765 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.0 p -63.98 -25.85 68.32 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.248 0.619 . . . . 74.42 110.532 170.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -83.57 8.67 13.45 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.203 1.001 . . . . 71.03 111.407 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 71.08 5.88 5.63 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.602 1.161 . . . . 71.1 113.72 172.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -92.15 123.49 35.54 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.511 -0.552 . . . . 72.21 109.511 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.496 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 46.4 t -87.63 124.02 40.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 123.676 0.791 . . . . 62.35 110.257 -175.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -110.14 101.54 10.32 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.002 0.921 . . . . 74.24 108.906 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.512 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 38.5 mt-10 -81.84 95.24 7.25 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.359 0.664 . . . . 73.44 109.462 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 tp -104.22 152.23 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.047 -1.094 . . . . 73.55 108.047 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.6 142.11 57.59 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.882 -0.414 . . . . 64.22 109.882 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.92 -40.89 97.52 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.461 0.704 . . . . 74.34 111.167 -174.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -56.04 -27.63 54.02 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.515 1.126 . . . . 73.41 112.486 176.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.4 mt -81.55 -45.86 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 124.081 0.952 . . . . 64.21 109.611 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.04 -9.44 58.63 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.041 0.936 . . . . 74.44 112.564 -175.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.3 m -69.88 -29.64 66.9 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.68 0.792 . . . . 74.25 111.494 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 50.8 mtm -66.09 -26.24 67.39 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.105 0.562 . . . . 74.32 110.486 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.6 t -74.19 102.76 4.38 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 107.937 -1.134 . . . . 73.41 107.937 167.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 74.9 t -59.22 -44.39 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.504 0.722 . . . . 62.33 111.129 -176.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.1 m -60.44 -51.64 68.6 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.396 0.679 . . . . 55.43 111.834 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.443 HD12 HD13 ' A' ' 6' ' ' LEU . 86.6 mt -64.91 -43.35 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.106 0.562 . . . . 64.52 110.808 -178.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -58.29 -48.18 81.28 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.614 0.766 . . . . 75.33 110.181 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -64.44 -32.68 74.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.796 0.839 . . . . 75.41 111.435 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.9 mtt -67.06 -43.52 82.44 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.935 0.494 . . . . 70.15 110.7 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.5 -44.37 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.48 0.712 . . . . 71.12 109.929 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -75.41 -25.0 57.22 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.807 0.843 . . . . 64.34 111.734 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.34 -40.49 74.07 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.738 0.815 . . . . 71.43 109.952 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.419 HG23 ' HB2' ' A' ' 37' ' ' SER . 59.8 mt -76.04 -26.49 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.19 -0.914 . . . . 74.41 109.789 172.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.52 -75.99 0.85 Allowed Glycine 0 C--N 1.346 1.125 0 N-CA-C 110.01 -1.236 . . . . 53.13 110.01 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -137.11 137.5 39.34 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.555 1.142 . . . . 75.2 108.347 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.419 ' HB2' HG23 ' A' ' 34' ' ' ILE . 40.0 t -149.58 107.28 3.67 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.326 0.65 . . . . 75.43 110.347 -176.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -83.58 -20.55 33.57 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.487 0.715 . . . . 63.12 110.27 175.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.5 p -65.17 139.79 97.72 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 123.385 0.674 . . . . 65.42 110.225 175.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -57.56 132.75 52.31 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.886 2.391 . . . . 54.44 112.298 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -87.45 107.23 14.09 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 108.107 -1.071 . . . . 75.21 108.107 176.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -90.0 122.28 1.03 Allowed 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.71 2.273 . . . . 75.22 112.021 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -98.95 101.16 11.43 Favored Pre-proline 0 CA--C 1.548 0.891 0 N-CA-C 108.58 -0.896 . . . . 74.22 108.58 175.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.77 50.63 3.22 Favored 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 123.107 2.538 . . . . 72.41 112.641 -175.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -148.39 -56.5 0.22 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.84 0.856 . . . . 74.23 109.419 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -80.93 121.12 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 CA-C-N 115.954 -0.567 . . . . 73.45 110.092 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.1 p -75.19 170.97 14.99 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.356 0.663 . . . . 73.42 110.574 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.8 p -65.79 -41.63 91.72 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.213 0.605 . . . . 74.12 111.45 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.1 m -58.34 -41.9 85.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.355 1.062 . . . . 72.54 111.16 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.613 HG21 HD21 ' A' ' 91' ' ' LEU . 44.5 mm -80.47 -46.14 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.572 -0.74 . . . . 72.15 110.556 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.34 -29.57 70.55 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.126 0.97 . . . . 73.22 111.075 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -51.92 -52.33 50.71 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.08 0.952 . . . . 73.33 110.191 171.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -77.75 -33.89 52.69 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.131 0.972 . . . . 73.11 112.574 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.536 HG11 HD13 ' A' ' 98' ' ' LEU . 54.9 t -59.83 -50.9 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 109.668 -0.493 . . . . 74.43 109.668 178.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.81 -26.11 59.49 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.658 0.783 . . . . 73.22 111.818 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.34 -53.13 61.31 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.186 0.594 . . . . 73.24 110.607 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -68.11 -36.46 79.79 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.857 0.723 . . . . 72.02 110.491 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.603 ' SG ' HD11 ' A' ' 100' ' ' ILE . 90.7 m -60.43 -42.88 96.99 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.163 0.289 . . . . 65.02 110.83 177.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -65.44 -44.65 86.62 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.018 -0.734 . . . . 74.33 109.018 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -57.54 -37.57 73.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.604 1.162 . . . . 71.02 111.824 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -79.44 -20.93 46.25 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.662 0.785 . . . . 73.21 110.88 -176.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -81.99 -38.15 25.55 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 116.303 -0.408 . . . . 74.11 109.907 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -71.41 -37.86 71.48 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.513 0.725 . . . . 74.31 110.205 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 . . . . . 0 N--CA 1.469 0.479 0 C-N-CA 124.647 1.179 . . . . 74.33 107.844 179.236 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 CA--C 1.552 1.054 0 N-CA-C 107.17 -1.418 . . . . 74.24 107.17 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.92 143.54 45.51 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.107 1.872 . . . . 73.24 111.82 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.57 -26.72 38.07 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 123.209 2.606 . . . . 62.12 113.06 173.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -58.43 -52.51 65.33 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.426 1.09 . . . . 74.05 110.269 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.47 -28.35 63.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.045 0.938 . . . . 74.14 111.116 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -66.1 -39.38 89.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.546 0.738 . . . . 75.4 110.544 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.93 -29.26 60.91 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.494 0.718 . . . . 71.23 110.96 174.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -64.88 -39.86 94.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.866 0.866 . . . . 74.43 110.433 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.0 m -73.54 -6.25 45.29 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.983 0.913 . . . . 72.5 112.642 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -80.07 77.01 6.79 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.236 0.541 . . . . 74.21 109.984 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.4 m -137.37 175.44 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.933 0.893 . . . . 73.33 109.769 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -75.47 163.48 27.35 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.103 0.561 . . . . 72.13 111.112 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.417 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 56.7 tp60 -62.01 -48.4 88.66 Favored Pre-proline 0 CA--C 1.562 1.425 0 CA-C-O 118.252 -0.88 . . . . 75.23 111.418 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 31.4 Cg_exo -60.9 -40.82 49.94 Favored 'Trans proline' 0 C--N 1.401 3.332 0 C-N-CA 121.973 1.782 . . . . 71.11 111.928 173.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 26.6 m -60.47 -36.02 77.29 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.12 0.968 . . . . 75.02 111.549 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 mt -55.44 -46.3 76.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.422 0.689 . . . . 75.52 110.539 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.46 ' HE2' ' HE2' ' B' ' 89' ' ' PHE . 66.7 m-85 -70.8 -34.25 71.55 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.851 -0.613 . . . . 74.33 111.416 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 10.1 mm-40 -64.66 -33.96 77.16 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.011 0.524 . . . . 75.22 110.635 177.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.613 HD21 HG21 ' A' ' 50' ' ' ILE . 96.1 mt -69.16 -38.98 79.04 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.299 0.64 . . . . 74.42 110.512 175.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.46 -43.03 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.727 0.811 . . . . 75.45 110.526 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 91.8 mt -68.27 -40.01 82.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.487 0.715 . . . . 74.52 110.618 -177.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.32 66.95 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.401 0.68 . . . . 74.25 111.401 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.438 ' HB3' HD12 ' A' ' 103' ' ' LEU . . . -72.34 -34.7 68.24 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.281 0.632 . . . . 64.05 111.022 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -73.98 -37.4 64.46 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.678 0.791 . . . . 62.13 110.024 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -66.39 -40.4 89.63 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.884 0.874 . . . . 74.02 111.009 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.536 HD13 HG11 ' A' ' 54' ' ' VAL . 86.4 mt -95.91 -3.58 45.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.274 0.63 . . . . 75.3 111.632 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.536 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 2.9 t70 60.42 30.14 19.56 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.315 1.446 . . . . 72.33 111.825 175.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.603 HD11 ' SG ' ' A' ' 58' ' ' CYS . 46.1 mt -81.79 91.51 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 108.708 -0.849 . . . . 75.05 108.708 176.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -59.87 -42.62 91.77 Favored Pre-proline 0 CA--C 1.56 1.349 0 CA-C-N 114.517 -1.22 . . . . 74.43 112.436 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.7 -53.18 6.92 Favored 'Trans proline' 0 C--N 1.403 3.432 0 C-N-CA 122.633 2.222 . . . . 72.11 113.35 173.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 95' ' ' ALA . 2.4 tm? -68.18 -39.21 82.59 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.042 0.537 . . . . 71.12 110.33 -176.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.507 HD23 HD23 ' B' ' 104' ' ' LEU . 59.9 tp -58.54 -47.49 84.02 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.79 0.836 . . . . 73.41 110.412 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.1 -50.85 60.16 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.089 0.868 . . . . 72.22 110.71 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.1 -47.79 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.526 0.73 . . . . 73.13 111.452 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 111' ' ' VAL . 35.8 m -68.94 -42.35 76.86 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.712 0.405 . . . . 62.41 111.319 -177.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.1 m -65.71 -33.61 76.27 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.665 0.386 . . . . 74.3 111.11 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.42 -37.23 71.49 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.571 0.748 . . . . 75.55 110.017 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -61.83 -45.87 91.93 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.775 0.83 . . . . 74.54 111.015 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.558 ' HA ' ' HE1' ' A' ' 114' ' ' MET . 42.1 t -65.77 -37.53 80.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.863 0 CA-C-N 115.914 -0.585 . . . . 74.52 109.914 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.22 -35.37 80.26 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.349 -0.842 . . . . 75.32 110.969 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.38 -33.16 75.22 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.73 0.812 . . . . 71.31 111.27 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.558 ' HE1' ' HA ' ' A' ' 111' ' ' VAL . 35.8 mtm -66.84 -38.01 85.57 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.737 -0.665 . . . . 64.13 110.965 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.4 pt -92.92 -8.74 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.856 0.463 . . . . 75.33 111.422 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.01 91.77 1.6 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.243 0.617 . . . . 74.44 110.794 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.186 0 CA-C-N 115.095 -0.957 . . . . 55.11 111.403 170.534 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.373 -0.232 . . . . 74.55 110.373 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.0 mt -90.74 122.55 33.59 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.743 0.817 . . . . 74.35 110.514 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 m -90.49 131.1 38.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 N-CA-C 108.7 -0.852 . . . . 74.21 108.7 167.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.489 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 96.5 mttt -85.82 94.69 9.21 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.569 0.748 . . . . 72.31 109.976 -174.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.443 HD13 HD12 ' B' ' 27' ' ' ILE . 81.4 mt -93.37 92.72 7.8 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.685 -0.487 . . . . 72.13 109.685 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.49 ' HA ' ' HA ' ' B' ' 13' ' ' VAL . 43.1 tt0 -75.97 135.8 40.03 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.669 -0.696 . . . . 74.42 109.702 175.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 63.1 p -83.17 175.64 9.8 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.574 0.75 . . . . 74.32 110.561 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 55.9 p -65.21 -23.39 67.07 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.267 0.627 . . . . 74.31 110.777 171.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -85.62 8.25 20.22 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.305 1.042 . . . . 64.34 111.171 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 71.01 7.33 6.18 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 125.061 1.344 . . . . 73.21 113.742 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -92.67 123.46 35.97 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.12 -0.696 . . . . 73.33 109.12 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.49 ' HA ' ' HA ' ' B' ' 7' ' ' GLU . 47.6 t -87.84 123.34 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.009 0.924 . . . . 51.23 110.229 -175.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -109.2 102.43 11.37 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.013 0.925 . . . . 74.13 108.76 175.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.489 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 37.6 mt-10 -81.79 94.94 7.14 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.3 0.64 . . . . 74.0 109.955 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 tp -104.5 152.17 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.061 -1.089 . . . . 74.12 108.061 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.11 143.19 57.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.995 -0.372 . . . . 71.42 109.995 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.37 -40.95 96.84 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.71 0.804 . . . . 73.12 110.841 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.46 -27.65 57.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.478 1.111 . . . . 73.44 112.115 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -81.69 -45.63 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.906 0.882 . . . . 75.03 109.722 175.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.26 -9.36 58.53 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.13 0.972 . . . . 74.02 112.617 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 95.4 m -71.16 -27.03 63.26 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.545 0.738 . . . . 74.32 111.545 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 50.2 mtm -66.71 -29.31 69.27 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.075 0.55 . . . . 71.42 110.19 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -71.41 103.02 2.78 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.121 -1.066 . . . . 70.44 108.121 167.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 88.3 t -59.89 -43.78 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.361 0.664 . . . . 75.41 111.099 -175.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.8 m -60.87 -51.37 69.57 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.337 0.655 . . . . 74.43 111.766 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.443 HD12 HD13 ' B' ' 6' ' ' LEU . 85.8 mt -64.83 -43.77 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 123.189 0.596 . . . . 71.11 110.848 -178.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -57.98 -48.33 80.31 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.017 0.823 . . . . 74.55 110.364 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -64.45 -32.21 73.74 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.812 0.845 . . . . 75.12 111.4 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 60.3 mtt -67.57 -43.3 80.96 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.985 0.514 . . . . 74.41 110.533 176.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.51 -45.54 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.473 0.709 . . . . 73.51 109.786 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -73.48 -26.33 60.86 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.025 0.93 . . . . 63.03 111.726 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.08 -41.54 77.38 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.49 0.716 . . . . 65.03 110.092 176.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 0.41 HG23 ' HB2' ' B' ' 37' ' ' SER . 61.7 mt -75.48 -26.15 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 CA-C-N 115.189 -0.914 . . . . 73.51 109.872 173.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.87 -77.07 0.9 Allowed Glycine 0 C--N 1.348 1.23 0 N-CA-C 109.865 -1.294 . . . . 65.35 109.865 -173.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -137.12 136.14 38.03 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.233 1.013 . . . . 72.45 108.598 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.41 ' HB2' HG23 ' B' ' 34' ' ' ILE . 31.5 t -147.79 109.24 4.35 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.253 0.621 . . . . 73.23 109.804 -176.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -84.81 -20.91 30.21 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.569 0.748 . . . . 75.2 110.396 174.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.3 p -63.9 140.37 97.83 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.51 0.724 . . . . 63.32 110.455 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -58.27 131.67 44.4 Favored 'Trans proline' 0 C--N 1.381 2.247 0 C-N-CA 122.709 2.273 . . . . 74.43 112.236 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -86.53 107.38 13.47 Favored Pre-proline 0 CA--C 1.554 1.102 0 N-CA-C 108.222 -1.029 . . . . 75.24 108.222 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -90.21 122.44 0.98 Allowed 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.568 2.179 . . . . 71.44 111.827 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -98.76 101.64 12.62 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 123.953 0.901 . . . . 72.4 108.611 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -84.58 51.26 3.19 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 123.14 2.56 . . . . 64.54 112.33 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -149.0 -56.47 0.2 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.728 0.811 . . . . 72.4 109.445 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -81.14 121.24 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 CA-C-N 116.1 -0.5 . . . . 71.31 110.242 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 80.4 p -74.62 170.63 15.4 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.768 0.827 . . . . 64.25 110.628 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 84.7 p -67.09 -40.65 86.99 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.993 0.517 . . . . 74.41 111.296 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 61.9 m -58.73 -41.48 86.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.142 0.977 . . . . 75.52 111.08 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.595 HG21 HD21 ' B' ' 91' ' ' LEU . 44.5 mm -80.66 -45.81 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 115.784 -0.643 . . . . 73.42 110.421 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 tp -62.41 -29.29 70.39 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.005 0.922 . . . . 73.11 111.226 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -52.1 -52.49 51.1 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.155 0.982 . . . . 72.04 110.147 171.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -77.56 -34.04 53.84 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.029 0.932 . . . . 75.24 112.567 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.563 HG11 HD13 ' B' ' 98' ' ' LEU . 54.1 t -59.6 -50.73 78.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 109.734 -0.469 . . . . 73.33 109.734 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 86.9 mt -75.0 -26.43 59.54 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.667 0.787 . . . . 75.35 111.784 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.79 -51.67 67.34 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.239 0.615 . . . . 74.35 110.491 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -67.69 -37.33 82.17 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 116.051 -0.522 . . . . 74.43 110.564 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.604 ' SG ' HD11 ' B' ' 100' ' ' ILE . 90.4 m -60.29 -42.82 96.27 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 123.072 0.232 . . . . 63.11 110.792 178.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -64.76 -45.2 87.38 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.045 -0.724 . . . . 73.25 109.045 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -57.83 -37.37 73.7 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.53 1.132 . . . . 64.13 111.71 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -79.36 -20.9 46.61 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.737 0.815 . . . . 75.42 110.854 -175.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -81.65 -38.79 25.37 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.817 -0.438 . . . . 70.33 109.817 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -71.39 -38.05 71.53 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.665 0.786 . . . . 74.42 110.015 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 . . . . . 0 N--CA 1.471 0.609 0 C-N-CA 124.914 1.286 . . . . 75.02 107.9 178.738 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 CA--C 1.551 0.991 0 N-CA-C 107.226 -1.398 . . . . 74.55 107.226 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.43 143.07 46.57 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.057 1.838 . . . . 74.52 111.728 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.01 -26.82 33.45 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.219 2.613 . . . . 74.12 112.879 172.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -58.53 -52.32 66.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.432 1.093 . . . . 65.03 110.5 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.45 -28.27 63.84 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.971 0.908 . . . . 71.45 111.343 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -65.83 -40.22 91.57 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.624 0.77 . . . . 75.31 110.634 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.04 -30.66 62.53 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.483 0.713 . . . . 74.4 110.808 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.96 -39.71 95.49 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.485 0.714 . . . . 75.03 110.493 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 71.9 m -73.86 -6.73 48.95 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.117 -0.947 . . . . 71.22 112.377 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -79.75 76.3 6.42 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.022 0.529 . . . . 75.4 110.093 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.3 m -137.08 173.64 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.967 0.907 . . . . 74.11 109.787 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.23 164.44 26.68 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.203 0.601 . . . . 71.11 110.89 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.414 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 54.1 tp60 -63.01 -48.35 84.72 Favored Pre-proline 0 CA--C 1.557 1.232 0 CA-C-O 118.229 -0.891 . . . . 72.31 111.571 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 32.3 Cg_exo -60.17 -40.99 55.2 Favored 'Trans proline' 0 C--N 1.403 3.399 0 C-N-CA 122.061 1.84 . . . . 72.03 111.988 173.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.7 m -61.09 -35.84 78.05 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.368 1.067 . . . . 74.35 111.549 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 37.4 mt -55.73 -46.39 77.8 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.358 0.663 . . . . 75.3 110.568 173.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.46 ' HE2' ' HE2' ' A' ' 89' ' ' PHE . 66.6 m-85 -70.58 -34.44 72.18 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.693 0.621 . . . . 70.32 111.376 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 17.2 mm-40 -64.07 -34.54 78.26 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.139 0.576 . . . . 72.52 110.803 177.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.595 HD21 HG21 ' B' ' 50' ' ' ILE . 96.1 mt -68.99 -38.82 79.53 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.404 0.681 . . . . 74.44 110.421 175.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 86.1 mt -65.62 -42.92 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 123.666 0.786 . . . . 74.55 110.524 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 90.5 mt -68.28 -40.24 81.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.487 0.715 . . . . 74.23 110.637 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.79 -32.29 67.48 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.54 0.736 . . . . 72.54 111.381 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.434 ' HB3' HD12 ' B' ' 103' ' ' LEU . . . -72.55 -34.08 67.27 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.339 0.656 . . . . 74.34 111.083 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -73.96 -38.95 64.05 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.657 0.783 . . . . 74.23 110.122 175.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.07 -40.91 95.35 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.106 0.962 . . . . 73.41 111.059 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.563 HD13 HG11 ' B' ' 54' ' ' VAL . 86.0 mt -95.58 -4.61 44.31 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.51 0.724 . . . . 74.35 111.623 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.538 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 1.8 t70 62.06 29.26 17.6 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 125.28 1.432 . . . . 73.33 111.734 174.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.604 HD11 ' SG ' ' B' ' 58' ' ' CYS . 45.5 mt -81.51 92.32 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 108.801 -0.814 . . . . 73.53 108.801 176.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -60.54 -42.53 88.85 Favored Pre-proline 0 CA--C 1.56 1.342 0 CA-C-N 114.654 -1.157 . . . . 71.43 112.477 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.06 -52.63 7.92 Favored 'Trans proline' 0 C--N 1.403 3.415 0 C-N-CA 122.605 2.204 . . . . 75.53 113.353 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' B' ' 95' ' ' ALA . 2.4 tm? -68.37 -39.67 81.69 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 122.965 0.506 . . . . 55.41 110.301 -176.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.507 HD23 HD23 ' A' ' 104' ' ' LEU . 59.3 tp -58.06 -47.51 82.94 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.834 0.853 . . . . 73.33 110.527 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -67.2 -50.82 59.46 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 124.103 0.877 . . . . 71.13 110.73 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.13 -48.05 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.539 0.736 . . . . 72.43 111.394 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.403 HG23 ' HB2' ' B' ' 91' ' ' LEU . 36.1 m -68.59 -42.57 78.02 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 122.723 0.409 . . . . 73.01 111.361 -176.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 94.2 m -65.32 -34.15 77.66 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.742 0.417 . . . . 74.44 111.089 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.1 -36.47 72.2 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.616 0.767 . . . . 74.1 110.234 175.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 99.8 m -62.59 -46.0 90.34 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.698 0.799 . . . . 63.34 110.896 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.551 ' HA ' ' HE1' ' B' ' 114' ' ' MET . 42.7 t -65.56 -36.98 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 123.142 0.577 . . . . 71.42 110.055 177.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.84 81.2 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.289 -0.869 . . . . 64.03 110.924 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -64.55 -32.45 74.11 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.554 0.742 . . . . 74.45 111.185 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.551 ' HE1' ' HA ' ' B' ' 111' ' ' VAL . 34.9 mtm -67.49 -38.35 84.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.944 -0.571 . . . . 74.43 110.782 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.2 pt -91.42 -10.24 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 122.81 0.444 . . . . 72.45 111.468 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.918 0 C-N-CA 123.092 0.557 . . . . 73.32 110.847 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.2 mt . . . . . 0 CA--C 1.539 0.556 0 N-CA-C 110.342 -0.244 . . . . 75.23 110.342 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.6 m -70.32 111.37 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 108.458 -0.941 . . . . 75.4 108.458 168.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.54 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 93.4 mttt -81.75 81.57 7.74 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.964 -1.016 . . . . 75.4 109.481 -174.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.411 HD21 ' HB ' ' A' ' 41' ' ' ILE . 85.8 mt -79.06 84.84 5.02 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 114.618 -1.173 . . . . 74.51 110.205 -176.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 42.8 tt0 -75.27 118.93 18.72 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.126 -0.943 . . . . 71.1 108.978 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 p -67.45 175.52 2.76 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.724 0.81 . . . . 73.12 111.748 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 p -65.41 -25.1 67.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.416 0.686 . . . . 71.52 110.738 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.05 0.37 32.14 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.246 1.018 . . . . 72.32 111.187 175.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 73.39 10.7 4.99 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.133 1.373 . . . . 73.34 113.164 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -84.54 123.21 30.04 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.474 -0.565 . . . . 72.54 109.474 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 40.6 t -88.2 109.08 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 123.784 0.834 . . . . 74.23 110.375 -172.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -92.23 90.89 7.48 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.584 0.754 . . . . 75.53 109.521 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.54 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 35.5 mt-10 -77.58 86.13 3.92 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.924 -1.034 . . . . 74.13 109.106 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.439 HD11 HG21 ' A' ' 20' ' ' ILE . 17.7 tt -110.74 152.6 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 115.066 -0.97 . . . . 73.4 108.854 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.541 ' HB2' HG13 ' A' ' 20' ' ' ILE . 38.2 mt-10 -61.7 137.39 58.24 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.944 0.498 . . . . 63.41 110.36 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HB3' ' HZ1' ' A' ' 18' ' ' LYS . 6.2 ttpm? -65.69 -31.35 72.31 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.399 0.437 . . . . 73.21 110.868 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.85 -23.98 67.57 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.563 0.745 . . . . 75.23 112.152 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.541 HG13 ' HB2' ' A' ' 17' ' ' GLU . 46.2 mt -80.16 -44.05 22.38 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 121.41 0.624 . . . . 75.22 109.39 172.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.62 8.31 4.55 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.243 1.017 . . . . 63.14 112.625 -178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.0 m -75.26 -28.03 59.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.183 0.593 . . . . 74.1 110.978 168.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.47 -25.3 65.82 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.037 0.535 . . . . 74.01 110.224 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.0 m -73.39 101.8 3.57 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.345 -0.843 . . . . 72.24 108.828 163.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.445 HG11 ' HE3' ' A' ' 28' ' ' LYS . 97.6 t -67.12 -34.86 72.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 116.011 -0.54 . . . . 73.35 110.241 176.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.1 m -64.02 -48.22 77.2 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.646 0.378 . . . . 75.22 110.679 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.449 ' HA ' ' HE3' ' A' ' 30' ' ' MET . 73.4 mt -62.81 -48.36 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 123.576 0.547 . . . . 74.41 110.54 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.551 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 17.2 pttp -60.12 -43.51 95.58 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 123.626 0.579 . . . . 65.22 109.667 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -58.86 -44.77 91.09 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 123.627 0.771 . . . . 74.13 111.061 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.449 ' HE3' ' HA ' ' A' ' 27' ' ' ILE . 71.5 mtm -60.55 -43.01 97.72 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 124.123 0.889 . . . . 74.41 110.573 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.5 mt -66.44 -32.88 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.634 0.774 . . . . 71.04 110.653 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 47.0 mt-10 -76.26 -33.93 59.16 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.327 0.651 . . . . 73.21 111.202 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -71.52 -44.18 65.1 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.188 0.518 . . . . 73.15 110.241 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.9 mt -71.58 -30.33 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.035 -0.984 . . . . 74.23 109.823 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.51 -60.09 1.84 Allowed Glycine 0 C--N 1.343 0.924 0 N-CA-C 110.901 -0.88 . . . . 75.43 110.901 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -136.29 98.09 3.76 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.158 0.983 . . . . 73.11 109.458 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.583 ' HB3' HD13 ' A' ' 41' ' ' ILE . 44.0 m -95.45 68.59 2.99 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.61 0.764 . . . . 74.11 110.043 177.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.11 -28.2 62.13 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.503 -0.771 . . . . 72.13 110.458 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.7 m -65.38 150.48 95.74 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 124.189 0.996 . . . . 74.55 111.714 176.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.26 130.3 35.42 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 122.882 2.388 . . . . 72.51 111.369 175.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.583 HD13 ' HB3' ' A' ' 37' ' ' SER . 50.7 mm -91.4 107.94 25.33 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 123.412 0.685 . . . . 74.43 109.69 -177.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.46 142.54 21.02 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 121.831 1.688 . . . . 72.42 110.98 173.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -123.59 84.71 53.14 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 106.88 -1.526 . . . . 73.33 106.88 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -83.48 52.34 3.83 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 123.55 2.833 . . . . 75.21 112.595 -170.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -149.5 -58.32 0.2 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.482 1.113 . . . . 64.22 108.549 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -84.15 129.02 38.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 115.397 -0.82 . . . . 71.03 110.695 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.8 p -77.37 171.08 15.44 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.296 1.038 . . . . 72.32 110.789 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.2 p -69.59 -41.94 75.11 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.565 0.346 . . . . 70.24 111.852 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.6 m -57.57 -43.79 84.83 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.045 0.938 . . . . 73.41 111.011 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.449 HG23 HD21 ' A' ' 91' ' ' LEU . 48.1 mm -79.91 -44.99 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.151 -0.931 . . . . 73.55 110.453 -174.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.4 -30.08 70.86 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.313 0.645 . . . . 74.42 110.774 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.33 -48.96 79.49 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.405 0.682 . . . . 73.01 109.621 175.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.576 ' HD2' HD23 ' A' ' 91' ' ' LEU . 58.5 mttm -61.71 -51.94 66.31 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.107 0.879 . . . . 73.03 111.163 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 50' ' ' ILE . 48.3 t -61.2 -45.48 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-N 115.516 -0.766 . . . . 74.33 110.544 -173.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HB3' HD13 ' A' ' 16' ' ' ILE . 73.5 mt -74.06 -29.11 61.73 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.294 0.638 . . . . 72.14 112.413 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -72.59 -36.8 68.23 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.694 0.398 . . . . 73.04 110.206 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -71.36 -36.55 71.52 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.027 -0.533 . . . . 75.42 110.038 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.65 ' SG ' HD12 ' A' ' 100' ' ' ILE . 98.8 m -61.39 -40.48 94.51 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.493 0.496 . . . . 61.14 110.615 174.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 48.5 ttp180 -61.6 -46.96 87.64 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.626 -0.715 . . . . 74.0 110.022 176.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -59.17 -43.48 92.12 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.158 0.983 . . . . 74.02 111.885 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -74.62 -21.01 59.68 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.886 0.874 . . . . 74.32 110.878 -178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -80.61 -36.03 33.29 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 110.053 -0.351 . . . . 71.42 110.053 174.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 65.5 mt-30 -70.93 -34.43 71.49 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.802 0.841 . . . . 74.53 110.301 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 CA--C 1.549 0.906 0 C-N-CA 124.207 1.003 . . . . 75.23 109.415 177.471 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.8 mm . . . . . 0 CA--C 1.556 1.18 0 N-CA-C 110.562 -0.162 . . . . 72.12 110.562 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -58.53 153.76 46.39 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.815 2.343 . . . . 61.23 112.602 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -51.8 -48.36 21.84 Favored 'Trans proline' 0 C--N 1.38 2.208 0 C-N-CA 123.999 3.133 . . . . 71.53 113.104 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -54.14 -50.95 65.79 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.766 0.666 . . . . 74.53 111.247 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.67 -32.97 74.13 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.07 0.856 . . . . 72.11 111.431 -173.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 52.7 ttp180 -74.78 -55.09 6.21 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.321 -0.4 . . . . 71.14 110.177 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.3 -33.07 67.3 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 123.999 0.919 . . . . 71.34 111.622 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -61.29 -51.67 67.91 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.494 1.117 . . . . 75.1 110.292 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 81.8 m -76.58 -13.55 60.07 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.433 -0.803 . . . . 72.32 111.663 -175.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 78' ' ' ARG . 31.8 mmmt -75.17 84.69 2.38 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.106 -0.702 . . . . 72.21 109.106 172.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -125.37 171.13 14.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 124.64 1.176 . . . . 74.53 109.386 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.83 167.03 21.78 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.37 0.668 . . . . 74.1 110.384 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.425 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 55.7 tp60 -59.56 -51.28 82.28 Favored Pre-proline 0 CA--C 1.567 1.623 0 N-CA-C 113.391 0.886 . . . . 73.25 113.391 -169.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 23.9 Cg_exo -65.29 -32.98 50.07 Favored 'Trans proline' 0 C--N 1.391 2.808 0 C-N-CA 121.998 1.799 . . . . 75.1 112.075 174.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.6 m -66.04 -32.43 73.89 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.954 0.902 . . . . 71.33 111.213 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.2 mt -56.33 -49.67 73.65 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.963 0.905 . . . . 72.03 109.729 172.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -69.48 -34.33 74.18 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.091 -0.958 . . . . 75.22 111.443 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -61.32 -40.75 95.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.081 0.553 . . . . 65.11 111.202 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.576 HD23 ' HD2' ' A' ' 53' ' ' LYS . 83.7 mt -73.47 -32.89 64.57 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.58 0.752 . . . . 73.42 111.437 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.95 -43.94 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 123.373 0.669 . . . . 72.01 109.794 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.4 -40.2 77.49 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.746 0.818 . . . . 73.53 110.901 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.86 76.51 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.863 0.865 . . . . 73.01 111.719 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.471 ' HB3' HD13 ' A' ' 103' ' ' LEU . . . -68.36 -40.38 81.48 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.381 -0.827 . . . . 75.31 111.008 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -70.37 -32.72 70.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.225 0.61 . . . . 73.44 110.385 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -62.45 -44.0 97.47 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.253 1.021 . . . . 74.35 111.178 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.7 mt -98.61 -4.73 33.31 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.944 0.497 . . . . 72.54 111.887 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.9 t0 51.58 50.17 19.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.185 1.394 . . . . 70.44 111.593 -173.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.65 HD12 ' SG ' ' A' ' 58' ' ' CYS . 58.6 mt -88.05 91.7 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 114.595 -1.184 . . . . 74.41 108.215 171.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 102' ' ' PRO . 53.4 mttm -62.5 -43.04 83.17 Favored Pre-proline 0 CA--C 1.557 1.249 0 CA-C-N 114.35 -1.296 . . . . 74.33 112.997 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 9.6 Cg_endo -52.49 -41.37 68.16 Favored 'Trans proline' 0 C--N 1.4 3.282 0 C-N-CA 122.363 2.042 . . . . 63.42 113.469 174.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' A' ' 95' ' ' ALA . 2.6 tm? -81.06 -42.0 21.72 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.674 0.39 . . . . 73.24 110.106 -178.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.605 HD23 HD23 ' B' ' 104' ' ' LEU . 48.7 tp -58.5 -48.62 80.21 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.813 0.845 . . . . 74.32 110.888 -176.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.52 -51.7 68.34 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.316 1.01 . . . . 71.03 110.407 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.98 -40.82 90.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 115.674 -0.694 . . . . 75.44 111.865 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -70.3 -36.2 74.18 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 120.918 0.39 . . . . 74.14 110.976 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 71.3 m -69.62 -29.25 66.71 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.181 0.592 . . . . 73.35 110.697 174.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.64 -31.5 59.85 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.249 0.62 . . . . 75.25 110.597 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.5 m -65.67 -45.75 81.72 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.473 0.709 . . . . 75.31 110.936 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.446 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 35.0 m -68.7 -32.15 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.322 175.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.63 -25.21 62.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.294 0.638 . . . . 50.54 111.592 173.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.487 ' HA ' ' HB2' ' A' ' 116' ' ' ARG . 14.3 m-80 -67.73 -26.6 66.22 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.799 0.44 . . . . 74.15 111.025 176.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.446 ' HE3' ' HA ' ' A' ' 111' ' ' VAL . 69.3 mtm -72.6 -29.05 63.17 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.845 0.458 . . . . 75.15 111.108 179.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 37.5 pt -101.88 -1.92 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.507 0.723 . . . . 73.42 111.62 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.487 ' HB2' ' HA ' ' A' ' 113' ' ' ASN . 32.2 tpt180 -59.41 99.86 0.07 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.191 0.997 . . . . 63.41 111.212 -176.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.814 -0.992 . . . . 60.05 112.145 176.058 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.026 0.441 . . . . 71.44 110.477 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -99.1 119.08 37.25 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.27 -0.877 . . . . 74.4 110.354 -174.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.5 m -70.01 110.99 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.485 -0.932 . . . . 73.25 108.485 168.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.554 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 92.6 mttt -81.38 81.84 7.4 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.876 -1.056 . . . . 74.45 109.3 -174.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.0 mt -79.42 84.99 5.25 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 114.728 -1.123 . . . . 74.23 110.19 -176.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' B' ' 13' ' ' VAL . 39.9 tt0 -75.55 119.15 19.21 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.245 -0.889 . . . . 74.15 108.97 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.9 p -67.8 174.4 3.67 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.845 0.858 . . . . 61.33 111.597 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.8 p -64.52 -25.67 68.09 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.537 0.735 . . . . 71.02 110.794 172.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.73 -1.3 33.9 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.363 1.065 . . . . 75.22 111.478 175.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 74.7 11.92 3.78 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.293 1.437 . . . . 74.43 113.142 173.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -85.75 123.7 31.42 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.488 -0.56 . . . . 73.34 109.488 172.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' B' ' 7' ' ' GLU . 40.1 t -88.36 109.34 19.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.047 0.939 . . . . 60.21 110.193 -172.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -92.49 91.61 7.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.385 0.674 . . . . 74.43 109.443 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.554 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.1 mt-10 -78.56 84.98 4.65 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.177 -0.92 . . . . 73.42 109.541 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.449 HD11 HG21 ' B' ' 20' ' ' ILE . 17.6 tt -109.91 152.19 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.072 0.949 . . . . 73.45 108.924 -176.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.525 ' HB2' HG13 ' B' ' 20' ' ' ILE . 40.5 mt-10 -61.61 136.81 58.15 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.901 0.48 . . . . 74.31 110.289 -178.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . 0.543 ' HZ1' ' HB3' ' B' ' 18' ' ' LYS . 6.1 ttpm? -65.19 -30.87 71.81 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 123.468 0.48 . . . . 70.43 110.826 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.93 -22.99 67.17 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.387 0.675 . . . . 62.12 112.246 176.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.525 HG13 ' HB2' ' B' ' 17' ' ' GLU . 46.8 mt -80.53 -43.71 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.376 0.67 . . . . 75.12 109.526 171.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.03 8.22 5.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.235 1.014 . . . . 64.41 112.438 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.2 m -74.82 -29.79 61.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.073 0.549 . . . . 74.22 110.808 168.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 71.0 mtm -65.8 -25.7 67.36 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 122.994 0.517 . . . . 74.25 110.407 173.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 72.4 m -72.99 101.68 3.29 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 108.855 -0.794 . . . . 74.05 108.855 163.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.456 HG11 ' HE3' ' B' ' 28' ' ' LYS . 91.7 t -67.44 -33.95 65.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 116.064 -0.516 . . . . 72.4 110.074 176.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -64.39 -48.5 75.21 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.612 0.365 . . . . 74.4 110.606 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.479 ' HA ' ' HE3' ' B' ' 30' ' ' MET . 73.6 mt -62.97 -48.28 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.048 0.539 . . . . 74.12 110.472 -177.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' B' ' 32' ' ' GLU . 16.7 pttp -59.97 -43.58 95.01 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 123.587 0.554 . . . . 74.14 109.844 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.49 -44.53 93.04 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.577 0.751 . . . . 72.32 110.944 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.479 ' HE3' ' HA ' ' B' ' 27' ' ' ILE . 72.0 mtm -60.25 -42.68 95.83 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.005 0.816 . . . . 74.51 110.32 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.09 -33.49 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.491 0.716 . . . . 74.4 110.665 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 47.5 mt-10 -74.91 -33.88 62.08 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.316 0.646 . . . . 73.45 111.009 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -72.43 -43.19 64.18 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.233 0.613 . . . . 73.23 110.722 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 80.2 mt -72.98 -28.69 27.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 115.034 -0.984 . . . . 75.45 109.868 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.44 -59.33 2.61 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.671 -0.695 . . . . 73.24 111.412 -176.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -135.93 96.73 3.47 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.962 0.905 . . . . 73.2 109.428 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' SER . . . . . 0.573 ' HB3' HD13 ' B' ' 41' ' ' ILE . 30.6 m -94.78 73.01 3.59 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.342 0.592 . . . . 73.51 109.815 176.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.38 -28.72 56.86 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.161 -0.927 . . . . 74.45 110.35 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.9 m -66.52 149.45 98.08 Favored Pre-proline 0 CA--C 1.558 1.27 0 C-N-CA 123.999 0.919 . . . . 74.11 111.46 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.57 131.01 39.98 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.926 2.417 . . . . 74.11 111.012 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.573 HD13 ' HB3' ' B' ' 37' ' ' SER . 50.4 mm -91.7 107.77 24.74 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 123.3 0.64 . . . . 75.1 109.503 -176.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.97 142.28 21.95 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 121.784 1.656 . . . . 74.52 110.975 174.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.7 mt -123.64 85.63 53.03 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 106.971 -1.492 . . . . 74.24 106.971 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -83.83 49.85 2.98 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 123.651 2.901 . . . . 72.24 112.722 -170.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -147.07 -58.75 0.27 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.586 1.154 . . . . 75.43 108.857 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.65 128.64 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 115.235 -0.893 . . . . 74.43 110.653 -177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 82.5 p -76.83 171.57 14.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.189 0.996 . . . . 64.11 110.603 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.5 p -69.64 -43.48 72.54 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.766 0.426 . . . . 73.23 111.838 -175.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 91.3 m -56.83 -42.71 80.11 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.116 0.967 . . . . 74.4 111.248 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.447 HG23 HD21 ' B' ' 91' ' ' LEU . 48.0 mm -80.47 -45.18 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-N 115.126 -0.943 . . . . 72.0 110.528 -174.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.3 tp -65.16 -30.23 71.13 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.384 0.674 . . . . 75.34 110.83 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -60.01 -48.43 81.73 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.513 0.725 . . . . 73.43 109.733 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.555 ' HD2' HD23 ' B' ' 91' ' ' LEU . 58.0 mttm -62.13 -52.08 65.28 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 124.157 0.911 . . . . 72.14 111.208 -179.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 50' ' ' ILE . 48.2 t -61.32 -45.12 99.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.284 -0.871 . . . . 74.41 110.437 -172.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.403 ' HB3' HD13 ' B' ' 16' ' ' ILE . 70.6 mt -74.37 -29.38 61.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.33 0.652 . . . . 74.52 112.438 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -73.28 -36.24 66.29 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.925 0.393 . . . . 72.31 110.425 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -70.87 -36.6 72.86 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.927 -0.579 . . . . 73.55 109.928 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.652 ' SG ' HD12 ' B' ' 100' ' ' ILE . 99.8 m -61.56 -40.39 94.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.883 0.473 . . . . 64.3 110.663 174.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -62.0 -46.03 90.99 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.485 0.714 . . . . 64.32 110.308 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -59.98 -42.86 95.11 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.148 0.979 . . . . 72.54 111.675 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -75.53 -21.25 58.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.703 0.801 . . . . 71.45 110.875 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . 0.401 ' CG ' HG12 ' B' ' 20' ' ' ILE . 75.9 t60 -80.48 -35.04 35.33 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.826 -0.435 . . . . 74.24 109.826 174.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.57 -36.59 73.69 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.94 0.896 . . . . 73.52 110.795 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 CA--C 1.547 0.828 0 C-N-CA 124.171 0.988 . . . . 71.21 108.977 177.687 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.1 mm . . . . . 0 CA--C 1.556 1.185 0 N-CA-C 110.698 -0.112 . . . . 72.45 110.698 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -58.63 152.53 55.23 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.934 2.423 . . . . 75.24 112.714 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.81 -47.24 27.43 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 123.944 3.096 . . . . 72.0 113.111 -176.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -54.67 -51.53 65.19 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.804 0.69 . . . . 75.34 111.276 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.09 -33.42 74.4 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 124.104 0.877 . . . . 73.52 111.288 -173.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 52.3 ttp180 -74.32 -55.1 6.4 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.26 -0.427 . . . . 74.25 110.196 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.71 -31.85 68.64 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.762 0.825 . . . . 74.34 111.721 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.29 -51.48 68.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.208 1.003 . . . . 64.41 110.333 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 83.8 m -76.74 -13.04 60.07 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.643 -0.708 . . . . 73.34 111.796 -175.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 78' ' ' ARG . 31.9 mmmt -74.91 85.53 2.24 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 109.159 -0.682 . . . . 75.33 109.159 171.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 29.1 m -126.75 168.68 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.746 1.218 . . . . 74.55 109.729 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.47 166.52 20.29 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.114 0.565 . . . . 74.01 110.816 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.467 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 51.6 tp60 -58.3 -52.47 74.37 Favored Pre-proline 0 N--CA 1.49 1.548 0 N-CA-C 113.673 0.99 . . . . 74.21 113.673 -169.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . 0.467 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 22.8 Cg_exo -65.34 -32.48 50.62 Favored 'Trans proline' 0 C--N 1.387 2.585 0 C-N-CA 121.94 1.76 . . . . 63.22 111.968 175.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 8.0 m -65.39 -32.9 74.78 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.771 0.828 . . . . 73.01 111.248 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 78.5 mt -56.0 -49.26 74.14 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.033 0.933 . . . . 74.13 109.825 172.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -69.62 -34.91 74.75 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.082 -0.963 . . . . 73.13 111.573 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -61.03 -40.6 94.21 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.154 0.582 . . . . 62.31 111.007 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.555 HD23 ' HD2' ' B' ' 53' ' ' LYS . 84.6 mt -73.21 -33.23 65.25 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.462 0.705 . . . . 73.34 111.522 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.72 -44.06 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.335 0.654 . . . . 74.42 109.933 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.53 -39.87 77.26 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.718 0.807 . . . . 71.45 110.859 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.85 -39.21 76.52 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.824 0.849 . . . . 74.13 111.685 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.482 ' HB3' HD13 ' B' ' 103' ' ' LEU . . . -68.31 -40.41 81.71 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.474 -0.784 . . . . 72.32 111.003 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.27 -32.22 69.94 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.111 0.564 . . . . 74.23 110.459 176.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -62.33 -44.6 96.12 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.201 1.0 . . . . 74.21 111.213 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.9 mt -98.3 -4.76 34.4 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.948 0.499 . . . . 74.25 112.004 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 24.7 t0 51.93 49.89 19.76 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.104 1.362 . . . . 61.11 111.608 -173.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.652 HD12 ' SG ' ' B' ' 58' ' ' CYS . 58.9 mt -88.2 91.79 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 114.565 -1.198 . . . . 71.55 108.225 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . 0.423 ' N ' ' HD2' ' B' ' 102' ' ' PRO . 53.1 mttm -62.13 -43.49 86.2 Favored Pre-proline 0 CA--C 1.559 1.319 0 CA-C-N 114.174 -1.376 . . . . 75.55 113.021 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 101' ' ' LYS . 9.3 Cg_endo -52.43 -41.42 67.38 Favored 'Trans proline' 0 C--N 1.401 3.308 0 C-N-CA 122.378 2.052 . . . . 73.44 113.435 174.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' B' ' 95' ' ' ALA . 2.6 tm? -80.84 -41.74 22.71 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 110.103 -0.332 . . . . 75.52 110.103 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.605 HD23 HD23 ' A' ' 104' ' ' LEU . 48.7 tp -58.76 -48.2 82.02 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.87 0.868 . . . . 75.15 110.831 -176.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.58 -51.51 68.23 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 124.417 1.073 . . . . 72.34 110.42 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 80.5 t -62.57 -41.03 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 C-N-CA 123.298 0.639 . . . . 75.41 111.936 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 29.0 m -70.05 -36.05 74.7 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 120.961 0.41 . . . . 64.14 111.158 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 71.0 m -69.57 -29.41 66.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.883 -0.598 . . . . 63.05 110.742 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.9 -31.49 59.21 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.237 0.615 . . . . 74.11 110.589 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 92.0 m -65.94 -45.39 81.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.472 0.709 . . . . 74.3 111.097 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.458 ' HA ' ' HE3' ' B' ' 114' ' ' MET . 35.0 m -68.61 -31.91 52.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 116.299 -0.41 . . . . 73.52 110.457 175.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.19 -24.97 62.33 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.403 0.681 . . . . 70.3 111.501 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . 0.446 ' HA ' ' HB2' ' B' ' 116' ' ' ARG . 13.1 m-80 -67.81 -25.72 65.71 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.004 0.522 . . . . 74.3 111.25 176.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.458 ' HE3' ' HA ' ' B' ' 111' ' ' VAL . 70.7 mtm -73.08 -30.06 63.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.953 0.501 . . . . 73.14 110.988 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 37.3 pt -101.96 -1.51 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 C-N-CA 123.613 0.765 . . . . 73.22 111.721 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . 0.446 ' HB2' ' HA ' ' B' ' 113' ' ' ASN . 31.7 tpt180 . . . . . 0 N--CA 1.485 1.318 0 C-N-CA 124.282 1.033 . . . . 74.2 111.307 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.418 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 53.4 mt . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 120.407 0.146 . . . . 73.22 110.92 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -99.26 148.31 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 108.25 -1.018 . . . . 71.52 108.25 166.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 95.9 mttt -95.02 132.78 39.51 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 122.824 0.45 . . . . 74.02 110.94 -171.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -122.54 107.36 11.92 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.93 0.892 . . . . 75.12 109.534 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.64 119.67 25.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.385 -0.598 . . . . 63.24 109.385 175.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 p -74.38 -177.19 2.96 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.419 0.688 . . . . 71.41 111.173 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -60.99 -22.56 64.63 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.407 0.683 . . . . 74.24 111.708 173.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -95.2 12.03 30.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.959 0.904 . . . . 72.1 111.436 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 66.1 16.1 10.32 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.198 0.999 . . . . 72.15 112.256 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -82.04 121.76 26.96 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 123.169 0.587 . . . . 75.44 109.682 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.431 HG13 ' HB3' ' A' ' 5' ' ' LYS . 68.1 t -83.13 94.66 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.061 0.945 . . . . 63.11 110.21 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -84.2 93.31 8.15 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.359 -0.608 . . . . 72.42 109.359 172.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 44.7 mt-10 -71.78 93.81 1.33 Allowed 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.346 -0.983 . . . . 74.34 108.346 174.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.4 tp -98.31 152.92 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 115.231 -0.895 . . . . 75.22 109.416 -176.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -61.44 141.52 57.61 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 120.995 0.426 . . . . 64.51 110.793 174.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -61.43 -39.17 89.79 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.636 -1.165 . . . . 75.44 110.952 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.16 -39.5 90.33 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 123.871 0.732 . . . . 73.34 110.795 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.498 HG21 ' HB3' ' A' ' 58' ' ' CYS . 76.1 mt -68.0 -44.1 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.245 1.018 . . . . 73.22 110.448 178.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.63 -25.7 66.72 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.254 -0.884 . . . . 63.54 111.57 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.5 m -75.45 -35.97 60.8 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.568 0.747 . . . . 74.4 111.175 172.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 42.5 mtm -62.36 -34.44 76.67 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.323 0.582 . . . . 75.31 110.291 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.45 ' HA ' HG12 ' A' ' 100' ' ' ILE . 34.2 t -72.44 104.22 3.72 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.748 -1.115 . . . . 70.31 108.233 169.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 57.5 t -63.31 -40.35 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.118 0.567 . . . . 75.25 111.703 -171.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.1 m -63.69 -46.69 84.34 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.569 0.748 . . . . 73.35 112.242 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.97 -42.03 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 109.827 -0.434 . . . . 75.45 109.827 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -55.58 -44.42 76.9 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.028 0.931 . . . . 75.02 110.827 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -64.76 -38.48 91.12 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.469 0.708 . . . . 74.12 111.008 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -46.4 90.78 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.289 0.635 . . . . 74.12 110.248 176.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.97 -49.8 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 124.006 0.816 . . . . 75.41 110.161 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.71 -35.1 79.79 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.805 0.842 . . . . 75.54 111.928 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.53 -38.23 65.34 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.614 0.765 . . . . 52.14 110.967 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.7 mt -83.37 -6.02 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 CA-C-N 115.663 -0.698 . . . . 75.14 109.838 174.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.96 -58.75 1.04 Allowed Glycine 0 C--N 1.349 1.254 0 N-CA-C 111.061 -0.816 . . . . 73.1 111.061 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -167.98 137.82 2.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.5 1.12 . . . . 65.25 108.659 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.6 m -147.77 115.51 6.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.889 0.475 . . . . 62.44 110.884 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -95.55 -13.25 24.61 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.887 0.875 . . . . 73.44 110.004 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 p -56.94 158.66 8.66 Favored Pre-proline 0 CA--C 1.561 1.394 0 C-N-CA 125.858 1.663 . . . . 62.3 112.817 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.49 93.72 0.12 Allowed 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.358 2.039 . . . . 44.32 112.451 176.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.4 mm -71.62 111.36 10.08 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.833 0.853 . . . . 74.51 109.347 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -77.49 127.25 8.83 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.18 1.92 . . . . 75.01 111.99 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.9 mt -118.04 86.43 25.94 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 125.25 1.42 . . . . 74.24 108.165 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.99 -26.87 18.01 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 122.976 2.451 . . . . 63.35 114.128 -171.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -86.07 14.99 5.46 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.188 0.595 . . . . 75.31 112.307 -173.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 p -145.55 131.21 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 123.148 0.579 . . . . 62.43 109.565 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.5 p -75.63 166.65 23.24 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.192 0.597 . . . . 72.41 110.392 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.0 p -63.47 -38.83 92.65 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.329 0.652 . . . . 72.01 111.744 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.8 p -64.38 -47.36 79.54 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.705 0.802 . . . . 75.34 111.951 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 48.9 mm -71.6 -46.0 64.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.069 0.548 . . . . 73.52 109.754 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.2 -36.71 78.26 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.618 0.767 . . . . 74.5 111.136 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -56.06 -50.23 71.57 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 124.08 0.862 . . . . 65.03 109.907 176.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -70.93 -36.98 72.86 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.488 1.117 . . . . 73.53 112.197 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG11 HD11 ' A' ' 103' ' ' LEU . 79.6 t -64.25 -42.62 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 122.927 0.491 . . . . 72.4 110.017 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 97.5 mt -73.8 -32.31 63.69 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.582 -0.736 . . . . 73.23 111.095 176.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.54 -44.26 82.88 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.682 1.193 . . . . 64.31 111.551 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.444 ' OH ' HG22 ' A' ' 106' ' ' VAL . 84.3 t80 -60.59 -42.41 96.66 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.278 0.631 . . . . 72.24 110.309 174.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.498 ' HB3' HG21 ' A' ' 20' ' ' ILE . 72.4 m -67.78 -28.43 67.59 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 115.243 -0.89 . . . . 75.51 111.87 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 52.4 mtt180 -59.31 -40.1 85.15 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.208 0.603 . . . . 74.43 110.692 171.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -59.71 -36.42 76.5 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.685 0.794 . . . . 74.42 111.196 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -78.88 -19.84 50.94 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.28 0.632 . . . . 75.15 111.96 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -82.43 -46.19 13.81 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.91 0.484 . . . . 73.3 110.829 174.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -76.21 -31.01 58.21 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.713 0.805 . . . . 73.21 110.682 -177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 108.061 -1.089 . . . . 75.53 108.061 175.09 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.5 mm . . . . . 0 CA--C 1.55 0.975 0 N-CA-C 108.782 -0.822 . . . . 73.34 108.782 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -73.7 146.29 38.25 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.38 2.054 . . . . 63.31 111.031 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -48.5 -36.84 32.34 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 123.145 2.563 . . . . 50.24 113.762 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.22 -56.66 18.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.274 1.03 . . . . 64.01 111.24 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.38 -28.41 62.01 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.376 1.071 . . . . 64.04 110.527 -174.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -66.89 -41.84 86.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.094 0.958 . . . . 72.43 110.489 175.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -77.19 -24.49 51.37 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.918 0.487 . . . . 73.24 111.33 177.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.76 -36.28 82.56 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.091 0.556 . . . . 65.44 110.212 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 73.2 m -69.66 -8.88 51.45 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.173 -0.921 . . . . 74.12 112.448 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -70.99 88.51 0.76 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-O 121.41 0.624 . . . . 73.52 109.642 170.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.467 HG12 HD13 ' A' ' 91' ' ' LEU . 3.0 m -139.95 145.35 26.6 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 C-N-CA 125.001 1.32 . . . . 75.34 108.857 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -66.53 158.9 28.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.868 0.867 . . . . 73.13 109.591 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -52.86 -50.69 80.02 Favored Pre-proline 0 CA--C 1.573 1.828 0 CA-C-O 118.419 -0.8 . . . . 75.13 112.887 -169.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.02 -32.29 84.06 Favored 'Trans proline' 0 C--N 1.39 2.734 0 C-N-CA 122.033 1.822 . . . . 73.41 113.377 171.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.4 m -68.16 -28.53 67.37 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.757 0.823 . . . . 65.34 112.028 -175.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.01 -46.45 75.22 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.914 -0.402 . . . . 72.03 109.914 169.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.427 ' HE1' ' HE1' ' B' ' 89' ' ' PHE . 42.5 m-85 -69.34 -31.47 69.94 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.484 0.714 . . . . 73.44 111.544 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -64.77 -36.02 82.97 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.811 0.444 . . . . 70.02 110.81 176.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.467 HD13 HG12 ' A' ' 83' ' ' VAL . 71.4 mt -71.06 -38.82 72.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.215 0.606 . . . . 75.3 110.921 174.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.43 -43.45 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 C-N-CA 123.314 0.645 . . . . 75.2 110.628 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.11 -41.36 90.67 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.858 0.863 . . . . 74.1 110.845 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.58 -32.51 62.41 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.42 0.688 . . . . 72.23 111.749 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.477 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -73.32 -34.7 65.82 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.991 0.516 . . . . 71.23 110.976 177.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -76.54 -35.8 58.04 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.337 0.655 . . . . 74.22 110.133 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -64.93 -45.7 84.7 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.585 0.754 . . . . 74.21 110.886 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.419 HD12 HG13 ' A' ' 54' ' ' VAL . 85.6 mt -88.3 -8.77 54.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.534 0.733 . . . . 71.14 111.143 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.416 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 36.1 t0 60.46 32.41 20.54 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.122 1.369 . . . . 74.23 111.112 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.45 HG12 ' HA ' ' A' ' 24' ' ' SER . 23.4 mt -80.94 82.15 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 107.837 -1.172 . . . . 75.34 107.837 171.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' HA ' ' HB3' ' A' ' 104' ' ' LEU . 48.1 mtpt -63.54 -34.19 12.19 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 114.409 -1.269 . . . . 74.1 113.727 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -48.17 -52.06 8.97 Favored 'Trans proline' 0 C--N 1.398 3.164 0 C-N-CA 122.19 1.927 . . . . 63.01 113.287 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 95' ' ' ALA . 7.3 tt -68.42 -43.14 77.83 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.939 0.496 . . . . 71.1 110.217 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 101' ' ' LYS . 61.3 tp -54.21 -49.25 69.84 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.059 0.944 . . . . 74.0 111.316 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.47 -39.85 92.45 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 124.072 0.857 . . . . 61.4 111.578 -177.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.444 HG22 ' OH ' ' A' ' 57' ' ' TYR . 77.1 t -66.34 -41.29 88.69 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.239 0.615 . . . . 74.11 111.222 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -71.2 -29.64 65.41 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.917 0.487 . . . . 73.43 110.662 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.402 ' HB3' HD21 ' B' ' 93' ' ' LEU . 85.8 m -68.45 -32.24 72.12 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.281 0.632 . . . . 74.33 110.541 172.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -69.74 -40.68 76.01 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.93 0.492 . . . . 74.5 110.022 172.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.8 m -60.54 -46.98 88.16 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.648 0.779 . . . . 75.41 111.667 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.485 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 35.0 m -69.7 -33.75 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.681 0.392 . . . . 74.45 111.0 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.61 -31.66 70.99 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.302 0.641 . . . . 60.02 111.178 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -67.64 -36.55 80.97 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.4 0.68 . . . . 72.24 110.972 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 49.8 mtm -62.68 -45.13 94.19 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.885 0.474 . . . . 73.41 110.686 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.486 ' HB ' ' HB3' ' B' ' 86' ' ' PRO . 36.4 pt -86.67 -11.55 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 115.713 -0.676 . . . . 73.21 112.122 -175.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -65.98 -40.82 91.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.522 0.729 . . . . 75.01 111.007 -176.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 CA-C-O 119.634 -0.536 . . . . 71.52 111.816 177.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 109.674 -0.491 . . . . 73.42 109.674 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.403 ' HB3' ' HB3' ' B' ' 15' ' ' GLU . 47.5 mt -113.56 120.16 39.99 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.802 0.441 . . . . 74.53 111.025 -172.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.9 m -99.77 147.4 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.393 -0.965 . . . . 73.12 108.393 166.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.549 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 95.9 mttt -94.05 132.97 38.01 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 122.773 0.429 . . . . 73.24 111.208 -171.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -122.59 107.83 12.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.935 0.894 . . . . 75.42 109.504 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -84.64 119.48 25.28 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.569 -0.53 . . . . 74.41 109.569 175.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.5 p -74.65 -177.42 3.18 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.38 0.672 . . . . 73.32 111.235 175.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.2 t -61.05 -22.83 64.95 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.602 0.761 . . . . 74.23 111.476 174.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -94.38 13.19 24.48 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.924 0.889 . . . . 74.3 111.584 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 65.38 13.7 8.98 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.212 1.005 . . . . 60.24 112.5 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -80.48 122.08 26.55 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.003 0.521 . . . . 74.02 109.711 -178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.428 HG13 ' HB3' ' B' ' 5' ' ' LYS . 73.4 t -83.26 93.93 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 C-N-CA 123.971 0.908 . . . . 62.25 110.482 -177.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -83.58 92.97 7.76 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 123.267 0.627 . . . . 73.32 109.481 172.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.549 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 43.3 mt-10 -71.32 92.6 1.06 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.594 -0.891 . . . . 74.32 108.594 173.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.5 tp -97.56 152.64 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-N 115.445 -0.798 . . . . 72.31 109.762 -176.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -61.07 141.19 57.59 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 122.635 0.374 . . . . 71.0 110.617 174.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . 0.424 ' HE3' HD13 ' B' ' 31' ' ' ILE . 22.8 tptm -61.15 -38.97 88.33 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.466 1.107 . . . . 75.42 111.175 -176.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.9 -40.22 92.24 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.83 0.706 . . . . 75.34 110.705 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' B' ' 58' ' ' CYS . 76.2 mt -67.14 -44.2 88.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.168 -0.924 . . . . 74.35 110.369 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.48 66.74 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.322 -0.854 . . . . 74.42 111.666 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 72.3 m -75.8 -34.85 60.19 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.606 0.762 . . . . 74.24 111.154 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 44.4 mtm -63.39 -35.02 79.01 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.386 0.612 . . . . 73.43 110.14 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.462 ' HA ' HG12 ' B' ' 100' ' ' ILE . 33.9 t -71.89 104.67 3.55 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.844 -1.071 . . . . 74.53 108.31 169.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.411 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 61.5 t -64.03 -39.96 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 122.921 0.489 . . . . 62.34 111.631 -171.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -64.04 -46.61 83.67 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.363 0.665 . . . . 75.52 112.132 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.8 -41.76 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 122.759 0.424 . . . . 70.34 109.878 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' B' ' 25' ' ' VAL . 16.0 ttpp -56.13 -44.29 79.02 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.002 0.921 . . . . 75.01 110.695 172.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -65.14 -37.4 87.29 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.473 0.709 . . . . 62.02 111.121 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -46.53 88.87 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.41 0.684 . . . . 65.45 110.302 176.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.424 HD13 ' HE3' ' B' ' 18' ' ' LYS . 96.0 mt -59.65 -49.91 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.751 0.82 . . . . 75.22 110.177 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.77 -37.35 87.32 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.685 0.794 . . . . 63.52 111.968 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.82 -37.78 70.28 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.758 0.823 . . . . 75.52 111.293 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.4 mt -84.05 -5.33 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.441 0 C-N-CA 123.651 0.78 . . . . 73.24 109.948 174.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.55 -58.59 1.11 Allowed Glycine 0 C--N 1.346 1.098 0 N-CA-C 110.917 -0.873 . . . . 73.21 110.917 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -167.59 138.48 2.94 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.288 1.035 . . . . 74.52 108.504 174.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 60.3 m -148.36 113.53 5.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.053 0.541 . . . . 74.3 111.412 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -94.51 -11.91 28.69 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.688 0.795 . . . . 64.42 110.063 167.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.2 p -57.7 158.19 12.56 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 125.046 1.338 . . . . 74.11 112.454 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -60.79 95.12 0.11 Allowed 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.103 1.869 . . . . 75.32 111.984 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.1 mm -72.41 111.43 10.95 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.828 0.851 . . . . 73.23 109.217 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.49 126.14 8.1 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.181 1.92 . . . . 73.41 112.242 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 68.3 mt -117.16 87.33 23.14 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 125.143 1.377 . . . . 75.34 108.246 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.55 -29.64 16.01 Favored 'Trans proline' 0 C--N 1.374 1.89 0 C-N-CA 123.07 2.513 . . . . 73.54 113.904 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -84.03 14.96 3.7 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.217 0.607 . . . . 74.14 112.46 -173.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 p -145.34 131.15 13.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.232 0.613 . . . . 70.32 109.744 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 66.4 p -75.45 166.8 23.04 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.116 0.566 . . . . 72.53 110.293 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 53.1 p -64.34 -37.59 88.04 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.595 0.758 . . . . 74.01 111.707 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 31.4 p -64.35 -48.94 73.64 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.604 0.762 . . . . 75.04 111.383 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 49.0 mm -70.34 -46.39 71.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 C-N-CA 122.914 0.486 . . . . 73.52 109.733 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.84 -36.87 77.74 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.585 0.754 . . . . 64.21 111.318 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.33 -49.86 73.15 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.98 0.8 . . . . 75.41 109.861 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -71.01 -37.19 72.63 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.389 1.056 . . . . 72.55 112.101 -175.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.436 HG11 HD11 ' B' ' 103' ' ' LEU . 81.6 t -63.88 -43.16 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.053 0.541 . . . . 70.13 110.048 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' B' ' 59' ' ' ARG . 97.8 mt -73.44 -32.12 64.19 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.603 -0.726 . . . . 72.54 110.991 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.71 -44.58 81.25 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.646 1.178 . . . . 64.23 111.68 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . 0.443 ' OH ' HG22 ' B' ' 106' ' ' VAL . 85.0 t80 -60.37 -41.86 94.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.202 0.601 . . . . 75.02 110.357 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.495 ' HB3' HG21 ' B' ' 20' ' ' ILE . 72.4 m -68.41 -28.46 67.1 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.332 -0.849 . . . . 60.11 111.951 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 56.0 mtt180 -59.24 -39.84 84.03 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.975 0.51 . . . . 72.13 110.5 171.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -59.94 -36.28 76.73 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.66 0.784 . . . . 74.54 111.272 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -78.99 -19.5 51.47 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.463 0.705 . . . . 73.34 111.958 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -82.69 -46.53 13.1 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.034 0.534 . . . . 72.12 110.907 174.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.15 -29.93 57.96 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.848 0.859 . . . . 74.3 110.904 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 107.802 -1.184 . . . . 74.42 107.802 175.306 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 33.7 mm . . . . . 0 CA--C 1.552 1.024 0 N-CA-C 108.976 -0.75 . . . . 73.22 108.976 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -72.88 145.74 41.01 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.412 2.075 . . . . 74.32 111.062 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -48.07 -36.78 29.02 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 123.217 2.611 . . . . 63.31 114.051 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -57.65 -56.3 23.69 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.772 1.229 . . . . 75.33 111.236 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.71 -28.24 61.62 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.42 1.088 . . . . 72.3 110.613 -174.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -67.54 -41.57 84.1 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.208 1.003 . . . . 74.53 110.251 176.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -77.28 -24.44 50.99 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.606 -0.724 . . . . 73.51 111.189 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -63.08 -35.8 81.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.168 0.587 . . . . 74.11 110.111 172.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.3 -7.57 43.58 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 115.277 -0.874 . . . . 74.51 112.597 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -72.43 87.04 1.16 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 121.525 0.679 . . . . 73.24 109.865 170.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.465 HG12 HD13 ' B' ' 91' ' ' LEU . 3.1 m -137.98 145.29 29.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.651 1.18 . . . . 74.13 108.827 174.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -66.03 158.16 29.06 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.674 0.79 . . . . 73.32 109.537 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -52.7 -49.63 85.36 Favored Pre-proline 0 CA--C 1.572 1.805 0 CA-C-O 118.679 -0.677 . . . . 74.44 112.772 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . 0.486 ' HB3' ' HB ' ' A' ' 115' ' ' ILE . 22.0 Cg_endo -62.08 -33.27 83.0 Favored 'Trans proline' 0 C--N 1.388 2.619 0 C-N-CA 122.092 1.862 . . . . 75.14 113.576 171.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 8.5 m -67.78 -28.62 67.76 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.834 0.853 . . . . 72.0 111.998 -175.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mp -54.57 -46.87 73.79 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 109.905 -0.405 . . . . 74.33 109.905 169.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.427 ' HE1' ' HE1' ' A' ' 89' ' ' PHE . 40.9 m-85 -69.35 -31.63 70.18 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.59 -0.732 . . . . 73.24 111.563 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.65 -35.95 82.69 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.724 0.41 . . . . 74.13 110.733 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.465 HD13 HG12 ' B' ' 83' ' ' VAL . 74.7 mt -71.15 -38.28 72.24 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.12 0.568 . . . . 71.05 110.958 174.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.67 -43.63 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 123.303 0.641 . . . . 75.02 110.571 175.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' ' 108' ' ' CYS . 84.6 mt -65.56 -41.65 92.71 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.874 0.87 . . . . 73.2 110.87 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.86 -32.48 61.91 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.475 0.71 . . . . 64.52 111.698 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.456 ' HB3' HD22 ' B' ' 103' ' ' LEU . . . -73.21 -33.92 65.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.009 0.524 . . . . 73.11 111.158 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -77.43 -35.42 54.11 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.447 0.699 . . . . 74.31 110.074 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -65.14 -46.1 82.28 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.894 0.878 . . . . 74.44 110.624 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.425 HD12 HG13 ' B' ' 54' ' ' VAL . 85.6 mt -88.51 -8.46 54.8 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.581 0.752 . . . . 75.54 111.117 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.404 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 38.5 t0 59.95 33.13 21.42 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.153 1.381 . . . . 72.04 111.198 178.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.462 HG12 ' HA ' ' B' ' 24' ' ' SER . 23.0 mt -81.35 81.96 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.628 0 N-CA-C 107.939 -1.134 . . . . 74.45 107.939 171.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.34 -34.09 12.26 Favored Pre-proline 0 CA--C 1.564 1.495 0 CA-C-N 114.225 -1.352 . . . . 74.31 113.592 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.3 -52.17 8.85 Favored 'Trans proline' 0 C--N 1.399 3.233 0 C-N-CA 122.284 1.989 . . . . 75.23 113.252 166.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.456 HD22 ' HB3' ' B' ' 95' ' ' ALA . 7.2 tt -68.55 -42.63 78.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.784 0.433 . . . . 74.22 110.302 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 63.9 tp -54.46 -49.03 71.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.931 0.892 . . . . 75.13 111.302 -178.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.49 -40.06 92.64 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.331 1.02 . . . . 63.4 111.601 -176.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.443 HG22 ' OH ' ' B' ' 57' ' ' TYR . 72.6 t -66.08 -41.63 89.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.321 0.648 . . . . 71.34 111.38 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.6 m -71.14 -29.39 65.17 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.921 0.488 . . . . 63.32 110.596 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 85.8 m -68.84 -32.01 71.4 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.276 0.63 . . . . 73.21 110.481 173.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.95 -40.82 75.22 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.819 0.448 . . . . 75.31 110.073 172.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 40.4 m -60.15 -47.01 87.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.677 0.791 . . . . 72.42 111.602 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.513 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 35.1 m -69.71 -33.74 57.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 122.58 0.352 . . . . 75.12 111.005 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.19 -32.19 72.24 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.308 0.643 . . . . 70.03 111.132 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -68.13 -35.1 77.58 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.602 0.761 . . . . 65.05 111.051 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.513 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 49.5 mtm -64.27 -44.52 91.44 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.071 0.548 . . . . 72.43 110.686 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 34.5 pt -86.68 -13.21 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 115.912 -0.586 . . . . 74.54 112.056 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 . . . . . 0 N--CA 1.48 1.031 0 C-N-CA 123.564 0.746 . . . . 73.3 111.482 -176.049 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 mt . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 109.357 -0.608 . . . . 73.31 109.357 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -86.9 107.53 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 N-CA-C 108.913 -0.773 . . . . 74.43 108.913 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.567 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 93.9 mttt -75.77 108.39 8.6 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 114.997 -1.001 . . . . 74.1 109.969 -177.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.6 mt -100.56 92.5 5.15 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.511 0.724 . . . . 75.15 109.978 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.484 ' HG3' HG23 ' A' ' 13' ' ' VAL . 3.0 mp0 -69.12 108.72 3.7 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.848 -0.797 . . . . 75.33 108.848 170.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.7 p -62.11 -179.12 0.2 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.292 0.637 . . . . 74.2 111.298 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t -66.98 -17.1 64.76 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.084 0.553 . . . . 72.31 110.635 174.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 36.3 t70 -96.73 8.16 44.92 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 124.602 1.161 . . . . 55.5 110.35 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 68.53 9.66 7.43 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.843 1.657 . . . . 64.24 113.434 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 9.8 mmpt? -73.08 122.58 22.03 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.623 -0.51 . . . . 74.32 109.623 177.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.484 HG23 ' HG3' ' A' ' 7' ' ' GLU . 42.1 t -81.37 101.66 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 123.971 0.908 . . . . 75.21 109.785 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -93.35 88.83 6.12 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.657 0.783 . . . . 73.31 109.481 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 23.5 mt-10 -76.63 76.19 3.31 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.456 -0.793 . . . . 51.24 109.062 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.3 tt -92.49 149.14 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-N 115.407 -0.815 . . . . 74.12 109.342 -175.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.34 135.3 53.05 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.325 0.65 . . . . 74.24 109.975 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.509 ' HE2' HG23 ' A' ' 31' ' ' ILE . 56.6 tttm -63.42 -31.26 72.37 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.716 1.207 . . . . 73.21 111.752 -173.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -60.37 -32.5 71.35 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.589 0.756 . . . . 74.14 111.805 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.9 mt -76.26 -41.34 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 115.38 -0.827 . . . . 75.5 109.356 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.7 -1.07 14.96 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.796 -1.093 . . . . 64.14 112.699 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 62.5 m -74.48 -29.87 61.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.33 0.652 . . . . 75.14 111.353 171.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.6 mtm -68.29 -30.11 69.04 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.824 0.45 . . . . 73.12 110.003 174.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -71.37 102.57 2.65 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.205 -0.907 . . . . 75.22 109.112 166.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.65 -31.51 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 N-CA-C 109.965 -0.383 . . . . 75.14 109.965 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.8 m -64.46 -50.54 67.09 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.622 0.369 . . . . 61.14 111.009 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.449 ' O ' HG13 ' A' ' 31' ' ' ILE . 68.4 mt -65.23 -43.16 95.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 109.087 -0.708 . . . . 64.14 109.087 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 61.4 tttp -55.1 -52.23 63.89 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 124.354 1.034 . . . . 72.42 111.153 176.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -58.18 -36.83 73.63 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.575 0.75 . . . . 63.55 111.107 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 77.6 mtm -70.92 -38.55 72.93 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.807 -0.633 . . . . 74.33 110.987 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.509 HG23 ' HE2' ' A' ' 18' ' ' LYS . 81.5 mt -66.38 -40.07 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 122.865 0.466 . . . . 73.41 109.963 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 64.4 mm-40 -66.36 -42.05 88.59 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.924 0.49 . . . . 74.2 109.974 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.26 -40.53 81.89 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.471 1.108 . . . . 73.34 111.492 -176.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.6 mt -80.2 -18.63 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.871 0.868 . . . . 75.45 109.9 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.85 -63.65 2.15 Favored Glycine 0 C--N 1.343 0.951 0 N-CA-C 110.615 -0.994 . . . . 71.12 110.615 -176.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -136.23 127.84 28.85 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.83 -1.174 . . . . 71.25 107.83 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 p -74.46 76.39 1.93 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.276 0.63 . . . . 73.43 111.251 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.89 -36.62 59.41 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.133 0.973 . . . . 74.24 109.949 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -83.84 135.28 42.94 Favored Pre-proline 0 C--O 1.247 0.963 0 CA-C-N 115.008 -0.997 . . . . 74.3 109.716 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.567 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 31.6 Cg_exo -59.85 143.78 99.55 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.471 2.114 . . . . 65.52 111.088 171.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.2 mm -96.76 103.96 16.58 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 122.911 0.484 . . . . 74.54 110.274 -175.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.405 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 85.1 Cg_endo -82.12 111.25 2.14 Favored 'Trans proline' 0 C--N 1.373 1.816 0 C-N-CA 122.242 1.961 . . . . 75.35 111.783 175.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -89.27 96.8 0.8 Allowed Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 124.306 1.042 . . . . 74.34 109.645 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 39.0 Cg_endo -87.17 25.18 0.68 Allowed 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 123.038 2.492 . . . . 74.03 113.4 -170.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -125.02 -59.27 1.42 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.92 0.888 . . . . 72.25 110.057 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.38 126.73 37.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 116.12 -0.491 . . . . 73.44 110.553 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 p -74.58 166.89 22.8 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.965 0.906 . . . . 72.13 110.869 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.525 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 61.5 p -64.39 -46.36 83.66 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.405 0.682 . . . . 74.51 112.382 -173.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.4 p -60.1 -48.49 81.51 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.611 0.764 . . . . 70.4 111.116 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.451 HG22 HD21 ' A' ' 91' ' ' LEU . 49.4 mm -67.54 -46.95 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.477 -0.783 . . . . 74.42 110.415 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.58 -35.3 80.05 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.339 0.656 . . . . 75.02 110.996 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.3 -51.27 70.65 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.889 0.876 . . . . 75.35 110.361 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -64.69 -49.51 70.63 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 114.809 -1.087 . . . . 72.54 111.283 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.407 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 91.1 t -61.1 -44.89 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 123.357 0.411 . . . . 71.03 110.532 -175.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.552 ' HB3' HD12 ' A' ' 16' ' ' ILE . 71.5 mt -68.66 -30.3 68.96 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.116 0.566 . . . . 74.11 112.012 178.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.62 -42.61 77.83 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.122 0.569 . . . . 61.31 109.621 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -68.57 -36.44 78.76 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.26 -0.882 . . . . 64.34 110.233 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.674 ' SG ' HD12 ' A' ' 100' ' ' ILE . 73.8 m -62.33 -40.38 96.17 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.83 0.452 . . . . 65.54 110.57 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 35.2 ttt180 -66.29 -42.39 88.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.988 -0.551 . . . . 75.42 109.78 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -54.49 -43.15 71.54 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.968 0.907 . . . . 73.43 111.213 174.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -74.44 -26.93 60.36 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.273 -0.876 . . . . 72.31 111.583 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -80.2 -39.25 29.57 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.577 0.227 . . . . 74.23 110.872 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 13.7 mm100 -71.36 -38.18 71.59 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.424 0.69 . . . . 74.12 110.039 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 124.069 0.948 . . . . 73.35 108.539 178.281 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 CA--C 1.551 1.007 0 N-CA-C 109.46 -0.571 . . . . 73.31 109.46 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.0 138.28 47.32 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.562 2.175 . . . . 64.22 111.429 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -49.24 -45.5 29.7 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.84 3.027 . . . . 72.41 113.866 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -58.16 -55.5 34.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 123.3 0.375 . . . . 73.33 110.646 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.83 -30.15 71.27 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.566 1.146 . . . . 75.41 111.113 -174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -72.94 -55.04 7.15 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.465 1.106 . . . . 75.14 110.96 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -72.63 -21.84 61.04 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.028 -0.987 . . . . 75.34 111.261 -174.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' HE2' HD23 ' A' ' 103' ' ' LEU . 59.3 t80 -57.51 -43.3 84.11 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.848 0.859 . . . . 75.24 110.739 174.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 73.6 m -74.43 -11.57 60.27 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.393 -0.822 . . . . 73.12 112.329 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -78.7 79.05 5.13 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.32 0.648 . . . . 73.21 110.687 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -130.23 173.15 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.195 0.998 . . . . 75.22 109.121 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.15 160.89 20.26 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.784 0.434 . . . . 73.53 110.337 175.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -49.28 92.49 Favored Pre-proline 0 CA--C 1.565 1.537 0 CA-C-O 118.475 -0.774 . . . . 74.42 111.798 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.408 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 27.5 Cg_endo -60.11 -40.83 57.18 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 121.499 1.466 . . . . 74.31 111.92 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.4 m -65.71 -30.63 71.33 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.847 0.859 . . . . 73.52 111.356 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 tt -70.98 -46.35 62.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.115 0.966 . . . . 72.01 108.595 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -62.06 -32.84 73.41 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.766 0.666 . . . . 73.14 110.906 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 40.7 mm-40 -64.25 -38.6 91.63 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.054 0.542 . . . . 74.35 111.438 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.451 HD21 HG22 ' A' ' 50' ' ' ILE . 87.4 mt -67.7 -36.89 81.47 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.931 0.492 . . . . 75.22 110.716 176.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.01 -46.39 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.57 0.748 . . . . 74.34 109.813 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.81 -38.09 82.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.814 0.845 . . . . 74.15 111.159 -176.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.0 -41.17 71.29 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.501 0.72 . . . . 73.34 111.08 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.458 ' HB1' HD12 ' A' ' 103' ' ' LEU . . . -69.13 -35.09 76.02 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.029 -0.987 . . . . 75.33 111.049 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -74.59 -35.4 62.99 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.494 0.718 . . . . 73.45 109.924 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -65.52 -37.13 85.88 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.368 1.067 . . . . 74.21 111.05 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.5 mt -102.78 -7.48 21.59 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.755 -0.657 . . . . 74.5 112.11 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 64.96 30.98 11.65 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.617 1.167 . . . . 72.13 111.933 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.674 HD12 ' SG ' ' A' ' 58' ' ' CYS . 65.8 mt -74.98 83.87 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 123.61 0.764 . . . . 65.25 108.978 171.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 102' ' ' PRO . 0.7 OUTLIER -64.1 -40.67 55.71 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 117.841 -1.076 . . . . 74.12 112.494 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 4.4 Cg_endo -46.29 -49.28 11.85 Favored 'Trans proline' 0 C--N 1.396 3.047 0 C-N-CA 122.593 2.196 . . . . 74.22 114.131 175.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.458 HD12 ' HB1' ' A' ' 95' ' ' ALA . 2.3 tm? -75.93 -44.95 37.71 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.779 0.432 . . . . 75.24 109.991 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.61 HD22 HD22 ' B' ' 104' ' ' LEU . 54.0 tp -53.25 -42.47 66.48 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.364 1.066 . . . . 75.43 112.028 -177.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.72 -51.24 63.43 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.695 0.798 . . . . 70.34 110.069 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.2 t -57.8 -42.36 81.83 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 O-C-N 124.179 0.924 . . . . 72.43 111.085 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.5 m -73.11 -32.65 65.09 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.884 0.874 . . . . 75.43 111.375 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 76.7 m -75.72 -28.97 58.78 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.314 0.646 . . . . 61.53 110.689 175.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -30.36 62.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.163 0.585 . . . . 63.22 110.325 174.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.9 m -60.56 -49.79 76.15 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.102 0.561 . . . . 55.54 110.9 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.496 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 27.2 m -69.5 -32.21 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 122.572 0.349 . . . . 72.35 111.6 177.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.43 93.76 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.659 0.599 . . . . 73.44 111.137 176.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -65.23 -32.23 73.8 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.493 0.717 . . . . 64.14 111.301 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.496 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 44.7 mtm -67.36 -36.14 80.78 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 123.5 0.5 . . . . 73.4 111.286 -178.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.8 pt -94.03 -13.59 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 122.662 0.385 . . . . 75.41 111.522 177.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -80.71 91.67 5.91 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 107.899 -1.148 . . . . 74.41 107.899 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.248 0 CA-C-O 118.942 -0.921 . . . . 64.03 111.386 -179.785 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.236 0.065 . . . . 41.35 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 49.4 mt -110.38 116.55 31.64 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.445 -0.576 . . . . 75.25 109.445 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.8 m -88.1 107.61 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 CA-C-O 121.744 0.783 . . . . 72.34 108.919 173.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.578 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 93.7 mttt -75.94 108.51 8.87 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.882 -1.054 . . . . 75.34 109.912 -177.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 mt -100.43 92.88 5.36 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 123.582 0.753 . . . . 74.04 109.948 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.464 ' HG3' HG23 ' B' ' 13' ' ' VAL . 2.9 mp0 -69.52 109.29 4.18 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 108.711 -0.848 . . . . 72.43 108.711 170.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.9 p -62.3 -178.17 0.17 Allowed 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 121.396 0.617 . . . . 60.24 111.354 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.0 t -66.64 -18.12 65.2 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.065 0.546 . . . . 70.4 110.467 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . 0.541 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 35.4 t70 -96.14 8.17 44.5 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 124.513 1.125 . . . . 73.43 110.487 175.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 67.81 9.68 7.27 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.743 1.617 . . . . 73.44 113.669 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.501 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 10.4 mmpt? -73.25 122.13 21.45 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.434 -0.58 . . . . 73.52 109.434 178.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.464 HG23 ' HG3' ' B' ' 7' ' ' GLU . 42.7 t -81.0 100.35 5.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 124.197 0.999 . . . . 61.43 109.929 -174.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -92.57 88.35 6.29 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.454 0.702 . . . . 73.1 109.548 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 27.6 mt-10 -75.46 76.07 2.51 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.693 0.797 . . . . 75.14 109.232 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' B' ' 55' ' ' LEU . 12.4 tt -92.44 149.22 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 115.774 -0.648 . . . . 74.31 109.431 -175.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -66.73 135.48 54.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.229 0.612 . . . . 61.52 110.014 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . 0.502 ' HE2' HG23 ' B' ' 31' ' ' ILE . 56.1 tttm -63.54 -30.68 71.76 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.434 1.094 . . . . 73.3 111.795 -173.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.15 -32.16 71.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.456 0.702 . . . . 61.2 111.987 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 40.1 mt -76.32 -41.36 36.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 123.8 0.84 . . . . 75.04 109.43 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.49 -1.15 14.77 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.789 -1.096 . . . . 73.15 112.788 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 67.3 m -74.39 -29.82 61.69 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.425 0.69 . . . . 72.45 111.408 171.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 61.2 mtm -68.29 -30.18 69.13 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 122.975 0.51 . . . . 75.33 110.045 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -71.61 102.75 2.83 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.177 -0.92 . . . . 54.11 108.982 166.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.9 -31.9 55.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 109.919 -0.4 . . . . 75.32 109.919 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' B' ' 98' ' ' LEU . 97.9 m -64.24 -50.05 69.52 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.578 0.351 . . . . 64.45 111.003 177.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.448 ' O ' HG13 ' B' ' 31' ' ' ILE . 68.5 mt -65.41 -43.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 109.263 -0.643 . . . . 73.42 109.263 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' B' ' 32' ' ' GLU . 61.2 tttp -55.11 -51.97 64.72 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 124.444 1.09 . . . . 74.44 111.103 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.43 -36.6 73.88 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.613 0.765 . . . . 74.24 111.065 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 76.1 mtm -71.11 -38.82 72.32 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.764 0.665 . . . . 72.24 110.725 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.502 HG23 ' HE2' ' B' ' 18' ' ' LYS . 80.7 mt -65.97 -39.58 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 122.767 0.427 . . . . 75.25 110.058 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' B' ' 28' ' ' LYS . 60.7 mm-40 -66.59 -41.53 88.34 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.011 0.524 . . . . 75.01 110.249 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -68.99 -42.09 76.96 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.178 -0.919 . . . . 74.03 110.973 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.63 -19.3 14.0 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 123.871 0.868 . . . . 70.31 110.111 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.93 -63.99 2.09 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 110.384 -1.086 . . . . 45.03 110.384 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -136.44 129.37 31.04 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 107.833 -1.173 . . . . 64.11 107.833 172.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.9 p -75.01 79.29 2.2 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.271 0.629 . . . . 72.33 110.631 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.64 -37.93 48.99 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.83 0.852 . . . . 74.3 109.658 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 62.3 p -81.67 134.28 50.99 Favored Pre-proline 0 C--O 1.245 0.856 0 CA-C-N 115.211 -0.904 . . . . 70.42 109.804 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . 0.578 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 33.1 Cg_exo -59.35 144.63 99.34 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.376 2.051 . . . . 72.34 110.727 171.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -97.28 105.5 25.5 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 122.582 0.353 . . . . 75.55 110.089 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.9 113.0 2.13 Favored 'Trans proline' 0 C--N 1.371 1.734 0 C-N-CA 122.125 1.883 . . . . 74.52 111.412 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.2 mt -90.8 96.3 0.94 Allowed Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 124.318 1.047 . . . . 70.5 109.613 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -88.37 29.77 0.45 Allowed 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 123.253 2.635 . . . . 62.34 112.889 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -128.19 -59.91 1.15 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.855 0.862 . . . . 63.45 109.573 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.47 127.15 37.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.935 -0.575 . . . . 74.5 110.563 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p -74.98 166.71 23.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.053 0.941 . . . . 71.54 110.696 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.541 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 50.9 p -63.54 -47.55 81.16 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.569 0.748 . . . . 71.24 112.515 -173.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 38.8 p -59.56 -49.64 77.0 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.985 0.914 . . . . 74.35 111.139 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.44 HG22 HD21 ' B' ' 91' ' ' LEU . 49.0 mm -65.97 -47.06 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 115.656 -0.702 . . . . 72.52 110.33 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.84 -35.17 79.74 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.312 0.645 . . . . 71.11 111.114 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.75 -51.23 70.66 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.852 0.861 . . . . 74.21 110.375 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.13 -49.7 71.13 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.92 -1.036 . . . . 74.54 111.314 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.09 -45.38 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 O-C-N 123.394 0.434 . . . . 73.24 110.455 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.557 ' HB3' HD12 ' B' ' 16' ' ' ILE . 70.4 mt -67.93 -30.89 70.32 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.144 0.578 . . . . 72.22 112.148 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.79 -42.18 77.74 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 109.624 -0.51 . . . . 73.3 109.624 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -68.31 -36.51 79.42 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.345 -0.843 . . . . 74.52 110.161 176.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.682 ' SG ' HD12 ' B' ' 100' ' ' ILE . 73.4 m -62.41 -40.71 97.41 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.861 0.464 . . . . 72.24 110.513 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 36.2 ttt180 -66.04 -42.27 89.8 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.145 -0.48 . . . . 73.31 109.857 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -54.67 -43.12 72.15 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.034 0.934 . . . . 74.34 111.306 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -74.22 -27.43 60.78 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.175 -0.92 . . . . 75.24 111.515 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -78.99 -39.59 33.77 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.54 0.209 . . . . 75.2 110.633 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 12.8 mm100 -71.34 -38.42 71.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.651 0.78 . . . . 72.34 110.198 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 . . . . . 0 CA--C 1.546 0.79 0 C-N-CA 123.918 0.887 . . . . 75.3 108.645 178.096 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 59.4 mt . . . . . 0 CA--C 1.555 1.16 0 N-CA-C 109.74 -0.467 . . . . 75.04 109.74 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.88 138.18 47.53 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.564 2.176 . . . . 72.33 111.455 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -49.15 -44.47 33.19 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 124.109 3.206 . . . . 62.54 113.9 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -59.28 -55.55 33.36 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 123.265 0.353 . . . . 74.04 111.024 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.6 -29.93 70.97 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.479 1.112 . . . . 63.34 111.063 -175.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -73.42 -55.01 6.92 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.493 1.117 . . . . 73.42 110.886 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -72.64 -21.56 61.08 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.101 -0.954 . . . . 74.31 111.243 -174.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -57.27 -43.69 83.28 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.948 0.899 . . . . 74.11 110.604 173.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 70.5 m -75.01 -11.07 60.02 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.842 0.857 . . . . 74.54 112.275 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -78.73 79.94 5.12 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.187 0.595 . . . . 74.13 110.491 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 20.8 m -132.23 170.28 20.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 C-N-CA 124.409 1.083 . . . . 71.11 108.998 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.68 160.32 14.4 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.006 0.522 . . . . 71.13 110.404 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -49.48 91.05 Favored Pre-proline 0 CA--C 1.562 1.416 0 CA-C-O 118.476 -0.773 . . . . 74.43 111.822 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . 0.447 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 27.4 Cg_endo -60.09 -40.36 61.51 Favored 'Trans proline' 0 C--N 1.392 2.838 0 CA-C-N 120.953 1.376 . . . . 74.35 111.941 173.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 10.2 m -65.69 -30.62 71.34 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.693 0.797 . . . . 75.33 111.295 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tt -71.24 -46.41 61.13 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.273 1.029 . . . . 62.3 108.509 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -61.94 -33.06 73.58 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.819 0.699 . . . . 73.11 110.83 175.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 29.6 mm-40 -64.05 -38.66 91.87 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.956 0.502 . . . . 73.45 111.427 175.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.44 HD21 HG22 ' B' ' 50' ' ' ILE . 87.3 mt -67.54 -36.82 81.73 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.037 0.535 . . . . 72.52 110.776 176.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.16 -46.21 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.538 0.735 . . . . 72.04 109.778 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.91 -38.12 82.55 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.849 0.86 . . . . 72.42 111.074 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.08 -41.44 70.68 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.577 0.751 . . . . 74.2 111.057 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.474 ' HB1' HD12 ' B' ' 103' ' ' LEU . . . -68.74 -35.24 76.85 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.074 -0.966 . . . . 63.23 110.975 177.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . 0.415 ' ND2' ' HG ' ' A' ' 104' ' ' LEU . 41.6 t-20 -74.22 -35.69 63.89 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.475 0.71 . . . . 73.21 110.001 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -65.95 -35.57 80.96 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.233 1.013 . . . . 73.54 111.067 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.404 ' HA ' ' HB ' ' B' ' 26' ' ' THR . 84.9 mt -103.87 -7.3 20.58 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.094 0.558 . . . . 73.21 112.448 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 64.92 30.83 11.81 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.585 1.154 . . . . 70.4 111.699 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.682 HD12 ' SG ' ' B' ' 58' ' ' CYS . 65.8 mt -74.93 83.81 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 109.006 -0.739 . . . . 74.4 109.006 171.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' B' ' 102' ' ' PRO . 0.7 OUTLIER -64.21 -40.4 52.3 Favored Pre-proline 0 CA--C 1.559 1.321 0 CA-C-O 117.747 -1.12 . . . . 73.32 112.577 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' B' ' 101' ' ' LYS . 4.2 Cg_endo -46.14 -49.51 11.31 Favored 'Trans proline' 0 C--N 1.395 3.026 0 C-N-CA 122.472 2.114 . . . . 74.33 114.215 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.474 HD12 ' HB1' ' B' ' 95' ' ' ALA . 2.3 tm? -75.87 -44.97 38.08 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.743 0.417 . . . . 73.23 109.974 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.61 HD22 HD22 ' A' ' 104' ' ' LEU . 54.2 tp -53.29 -42.67 66.82 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.384 1.074 . . . . 75.55 112.041 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.6 -51.12 64.37 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.899 0.749 . . . . 70.01 110.05 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.6 -42.7 81.86 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 O-C-N 124.079 0.862 . . . . 73.51 111.031 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.2 m -72.95 -32.64 65.38 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.056 0.942 . . . . 74.02 111.318 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 78.4 m -75.85 -28.71 58.32 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.319 0.648 . . . . 65.33 110.741 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.51 -30.27 61.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.178 0.591 . . . . 72.44 110.306 174.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 55.3 m -60.43 -50.02 75.26 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.193 0.597 . . . . 75.02 110.749 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.491 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 27.3 m -69.68 -32.02 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 122.602 0.361 . . . . 72.21 111.437 177.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.8 -39.58 94.69 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.071 0.548 . . . . 72.41 111.048 176.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.62 -33.11 75.16 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.663 0.785 . . . . 75.31 111.252 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.491 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 53.8 mtm -66.59 -36.03 81.64 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.836 0.455 . . . . 72.52 111.679 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 39.1 pt -94.28 -13.1 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.738 0.415 . . . . 74.2 111.267 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 107.807 -1.183 . . . . 72.52 107.807 175.512 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 17' ' ' GLU . 75.7 mt . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.079 -0.341 . . . . 75.34 110.079 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.2 m -93.03 137.46 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 N-CA-C 108.948 -0.76 . . . . 64.41 108.948 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 92.9 mttt -94.32 121.52 35.93 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.538 -0.912 . . . . 75.44 108.538 -177.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.666 HD13 HD12 ' A' ' 27' ' ' ILE . 80.1 mt -120.21 100.67 7.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.978 0.511 . . . . 72.01 109.859 -176.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.471 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 2.7 mp0 -75.05 144.46 42.99 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.097 0.475 . . . . 74.33 109.962 173.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 p -82.83 -176.68 6.42 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.422 -0.808 . . . . 71.11 110.215 171.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -63.69 -27.4 69.19 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.535 0.734 . . . . 61.24 110.236 169.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -83.78 1.78 41.21 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.392 1.077 . . . . 71.52 111.367 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 70.92 13.5 7.02 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.231 1.412 . . . . 75.15 113.253 171.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 7' ' ' GLU . 45.1 mmtm -77.53 126.07 30.33 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.65 -0.5 . . . . 74.42 109.65 176.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.2 t -72.44 122.63 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.818 0.847 . . . . 71.12 109.611 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.469 ' CD1' HD13 ' A' ' 51' ' ' LEU . 95.6 m-85 -117.09 91.6 3.62 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.624 0.77 . . . . 74.41 108.944 174.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 43.5 mt-10 -72.19 103.53 3.37 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.214 -0.903 . . . . 71.44 109.651 176.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.45 HD12 ' HB3' ' A' ' 55' ' ' LEU . 14.5 tt -119.37 147.68 22.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 124.497 1.119 . . . . 75.31 108.079 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HB3' HG13 ' A' ' 20' ' ' ILE . 32.6 tt0 -66.04 136.95 56.71 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.381 -0.599 . . . . 73.12 109.381 178.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HG3' HD11 ' A' ' 31' ' ' ILE . 38.2 ttpt -59.27 -34.13 71.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.706 0.802 . . . . 64.42 111.474 -174.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -59.95 -37.67 80.23 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.112 0.965 . . . . 72.02 111.614 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.52 HG13 ' HB3' ' A' ' 17' ' ' GLU . 10.2 mt -79.76 -29.97 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 C-N-CA 123.123 0.569 . . . . 74.12 109.998 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.21 -18.59 60.74 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.528 0.731 . . . . 71.11 111.596 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 94.5 m -73.14 -22.45 60.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.506 0.722 . . . . 73.34 111.604 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 85.6 mtp -63.04 -32.3 73.64 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.58 0.705 . . . . 73.45 110.433 173.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.531 ' HA ' HG12 ' A' ' 100' ' ' ILE . 35.9 t -81.92 111.26 17.94 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.623 -1.172 . . . . 53.11 108.204 170.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 46.5 t -64.91 -39.25 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 123.126 0.266 . . . . 75.01 110.764 -176.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.425 ' O ' ' HG2' ' A' ' 30' ' ' MET . 98.4 m -60.65 -51.56 68.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.183 0.593 . . . . 75.13 111.757 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 6' ' ' LEU . 82.2 mt -69.43 -35.21 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.153 0.581 . . . . 73.43 110.405 -177.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -58.38 -46.89 85.46 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.102 0.961 . . . . 75.32 110.067 173.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -63.87 -35.65 81.34 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.87 0.868 . . . . 74.41 111.187 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 26' ' ' THR . 25.3 mmt -63.57 -47.0 83.31 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.007 0.523 . . . . 74.04 110.697 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.455 HD11 ' HG3' ' A' ' 18' ' ' LYS . 77.5 mt -66.04 -43.68 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.797 0.839 . . . . 74.21 110.54 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.58 -29.25 64.5 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.256 0.622 . . . . 72.32 111.901 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.6 -43.38 72.91 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.561 0.744 . . . . 72.25 110.614 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.4 mt -75.45 -21.38 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-N 114.96 -1.018 . . . . 74.1 109.734 173.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.73 -74.76 2.47 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 110.053 -1.219 . . . . 63.03 110.053 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.21 93.86 4.48 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.182 -1.044 . . . . 70.43 108.182 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -78.27 82.98 4.54 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.345 0.593 . . . . 62.23 110.155 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.41 -32.44 64.43 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.149 -0.932 . . . . 64.54 109.35 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -73.99 138.05 76.11 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 115.157 -0.929 . . . . 72.31 109.046 176.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.54 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.1 Cg_endo -68.88 143.55 55.61 Favored 'Trans proline' 0 C--N 1.361 1.204 0 C-N-CA 121.94 1.76 . . . . 71.53 110.957 175.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.6 mm -96.95 105.62 25.09 Favored Pre-proline 0 CA--C 1.547 0.849 0 N-CA-C 109.35 -0.611 . . . . 74.54 109.35 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -81.33 145.68 15.17 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.029 1.82 . . . . 74.31 111.329 173.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.444 ' HB3' ' HE1' ' A' ' 97' ' ' TYR . 3.0 mm? -117.37 87.82 26.08 Favored Pre-proline 0 CA--C 1.552 1.05 0 N-CA-C 108.29 -1.004 . . . . 74.24 108.29 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -80.11 63.8 8.79 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.339 2.693 . . . . 72.22 112.553 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -159.23 -58.55 0.07 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.331 1.052 . . . . 73.12 109.137 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.32 130.14 36.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 C-N-CA 123.324 0.65 . . . . 74.14 110.696 -177.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 p -72.92 168.45 18.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.864 0.866 . . . . 70.43 111.167 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 p -62.18 -47.58 83.85 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 112.965 0.728 . . . . 74.1 112.965 -173.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 35.5 p -65.25 -42.66 93.06 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.524 0.73 . . . . 71.41 111.363 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.453 HG22 HD22 ' A' ' 91' ' ' LEU . 51.2 mm -72.18 -42.76 66.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 123.157 0.583 . . . . 74.5 110.527 -177.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 14' ' ' PHE . 3.2 tm? -63.19 -37.53 87.59 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.972 0.909 . . . . 74.12 109.867 177.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.49 -51.17 71.02 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 123.951 0.782 . . . . 72.45 109.737 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HE2' HG13 ' A' ' 83' ' ' VAL . 26.8 mtpp -59.09 -52.53 65.35 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.223 0.952 . . . . 75.31 111.507 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.44 HG13 HD13 ' A' ' 100' ' ' ILE . 97.4 t -60.94 -42.12 91.61 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 C-N-CA 123.152 0.581 . . . . 73.42 111.137 -174.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB3' HD12 ' A' ' 16' ' ' ILE . 43.9 mt -75.17 -28.51 60.09 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 112.52 0.563 . . . . 74.02 112.52 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.95 -32.89 65.55 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.173 0.589 . . . . 75.03 110.735 -178.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.46 ' HH ' HG23 ' A' ' 106' ' ' VAL . 80.1 t80 -62.92 -41.85 99.6 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.444 0.698 . . . . 75.44 109.758 170.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 75.7 m -64.02 -35.8 81.91 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.169 -0.923 . . . . 75.31 111.255 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.65 -44.57 95.93 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.36 0.664 . . . . 73.21 110.434 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -60.14 -47.69 84.87 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.125 -0.943 . . . . 74.2 111.195 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -77.2 -18.01 58.07 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 116.071 -0.513 . . . . 74.22 111.134 -175.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -69.08 -48.44 62.67 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.874 0.87 . . . . 71.35 110.863 173.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -90.89 -18.85 24.09 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.061 -0.972 . . . . 74.22 110.905 -172.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 . . . . . 0 C--O 1.242 0.705 0 N-CA-C 107.809 -1.182 . . . . 73.15 107.809 175.107 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.0 mt . . . . . 0 CA--C 1.55 0.95 0 N-CA-C 109.178 -0.675 . . . . 74.11 109.178 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.39 151.8 82.37 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.519 2.146 . . . . 75.41 111.706 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -45.42 -38.61 15.93 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 124.323 3.349 . . . . 73.14 115.422 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.9 -57.6 12.17 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 117.694 0.224 . . . . 64.24 110.879 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -66.64 -27.92 68.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.84 0.856 . . . . 64.32 111.026 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.52 -55.97 8.68 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.225 0.61 . . . . 73.31 110.289 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.49 -24.31 64.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.717 0.807 . . . . 73.33 111.536 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.46 ' HE1' HD23 ' A' ' 103' ' ' LEU . 54.5 t80 -61.64 -51.93 66.44 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.691 0.796 . . . . 72.53 110.151 175.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 80.8 m -82.69 -26.8 31.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.224 -0.898 . . . . 65.14 111.177 -175.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HZ3' ' HB3' ' A' ' 82' ' ' LYS . 9.3 mtpm? -80.39 84.63 5.99 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.078 -0.712 . . . . 75.41 109.078 175.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.469 HG13 ' HE2' ' A' ' 53' ' ' LYS . 16.1 m -124.12 -178.8 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.315 1.046 . . . . 75.21 109.482 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -65.13 154.28 38.42 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.274 0.63 . . . . 73.54 110.21 -176.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.508 ' HA ' HD13 ' A' ' 88' ' ' LEU . 54.2 tp60 -55.06 -50.11 88.34 Favored Pre-proline 0 CA--C 1.566 1.575 0 N-CA-C 113.438 0.903 . . . . 74.33 113.438 -171.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.479 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 34.4 Cg_exo -63.02 -37.04 55.74 Favored 'Trans proline' 0 C--N 1.387 2.561 0 C-N-CA 122.162 1.908 . . . . 73.13 113.0 172.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.0 m -63.26 -31.51 72.67 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.808 0.843 . . . . 61.5 111.202 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 85' ' ' GLN . 61.9 mt -60.54 -48.82 80.07 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.012 0.925 . . . . 70.5 110.767 173.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.433 ' CD2' HD11 ' B' ' 115' ' ' ILE . 56.6 m-85 -67.1 -30.97 71.14 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.682 -0.69 . . . . 75.21 111.293 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -64.6 -38.35 90.69 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.833 0.453 . . . . 74.14 111.34 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.453 HD22 HG22 ' A' ' 50' ' ' ILE . 97.4 mt -70.26 -34.45 72.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.063 0.545 . . . . 74.0 110.905 176.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 80.6 mt -66.7 -45.36 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.303 0.641 . . . . 73.12 110.178 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.75 -41.37 95.96 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.891 0.876 . . . . 71.52 110.793 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.2 74.76 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.481 0.713 . . . . 74.42 111.489 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.467 ' HB3' HD13 ' A' ' 103' ' ' LEU . . . -72.53 -29.06 63.25 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.912 0.485 . . . . 74.05 111.524 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -70.38 -44.35 68.21 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.935 0.894 . . . . 74.1 109.539 173.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.444 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 73.9 t80 -70.18 -36.73 74.87 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.578 1.151 . . . . 73.11 111.96 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.46 HD22 HD11 ' A' ' 27' ' ' ILE . 96.5 mt -92.0 -7.67 48.22 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.618 0.767 . . . . 75.35 110.8 179.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER 66.4 22.61 10.73 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.538 1.135 . . . . 73.2 111.037 175.153 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.531 HG12 ' HA ' ' A' ' 24' ' ' SER . 33.6 mt -83.65 85.29 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 108.543 -0.91 . . . . 75.32 108.543 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -64.06 -37.96 31.33 Favored Pre-proline 0 CA--C 1.557 1.245 0 CA-C-N 114.238 -1.346 . . . . 74.42 112.804 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.412 ' O ' HG21 ' A' ' 106' ' ' VAL . 71.2 Cg_exo -47.85 -48.01 17.23 Favored 'Trans proline' 0 C--N 1.399 3.205 0 C-N-CA 122.362 2.042 . . . . 70.43 113.88 169.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 95' ' ' ALA . 2.7 tm? -76.51 -41.21 47.74 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.175 0.59 . . . . 64.23 110.068 -178.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.481 HD23 HD23 ' B' ' 104' ' ' LEU . 64.0 tp -56.64 -43.93 80.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.354 1.062 . . . . 73.24 111.047 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.0 -48.48 78.63 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.135 0.897 . . . . 72.3 110.356 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.46 HG23 ' HH ' ' A' ' 57' ' ' TYR . 87.0 t -60.2 -45.22 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.257 0.623 . . . . 74.31 111.216 -178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.1 m -68.64 -37.92 80.09 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.118 0.567 . . . . 72.44 111.386 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 82.8 m -67.79 -31.23 70.97 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.237 0.615 . . . . 71.3 110.919 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.33 -36.65 61.01 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.077 0.551 . . . . 75.33 110.481 175.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.5 m -64.6 -46.96 80.42 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.077 0.551 . . . . 61.24 110.957 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.549 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 33.0 m -67.28 -33.09 60.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.932 -0.576 . . . . 73.54 110.863 178.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.41 -31.3 67.09 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 123.199 0.6 . . . . 64.44 110.966 175.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.88 -36.91 83.38 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.036 0.534 . . . . 73.23 111.219 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.549 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 38.4 mtm -62.16 -34.33 76.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.576 0.75 . . . . 74.42 111.793 -178.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 24.5 pt -94.75 -35.19 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 116.089 -0.505 . . . . 73.33 111.061 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 173.11 88.89 0.0 OUTLIER 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.699 1.599 . . . . 75.25 109.008 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 CA-C-O 119.431 -0.65 . . . . 72.43 112.868 169.107 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.294 -0.261 . . . . 61.24 110.294 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' B' ' 17' ' ' GLU . 75.4 mt -112.25 118.76 36.19 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.21 0.604 . . . . 74.33 110.105 -178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.1 m -93.08 137.83 21.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 109.066 -0.716 . . . . 74.53 109.066 171.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 92.2 mttt -95.09 121.85 37.16 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.658 -0.868 . . . . 73.44 108.658 -176.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.68 HD13 HD12 ' B' ' 27' ' ' ILE . 79.0 mt -120.62 100.75 7.31 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.008 0.523 . . . . 74.3 109.702 -175.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' B' ' 12' ' ' LYS . 1.7 mp0 -75.51 144.58 41.92 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.02 0.438 . . . . 72.42 109.849 173.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.9 p -83.11 -176.53 6.38 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.415 -0.811 . . . . 73.04 110.15 172.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.9 t -63.28 -28.2 69.86 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.567 0.747 . . . . 71.22 110.143 169.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.98 3.74 32.92 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.578 1.151 . . . . 73.14 111.198 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 68.65 14.29 9.0 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 125.13 1.372 . . . . 74.31 113.415 170.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' B' ' 7' ' ' GLU . 45.7 mmtm -77.97 126.9 31.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.785 0.434 . . . . 71.45 109.91 175.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.2 t -74.27 120.2 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.782 0.833 . . . . 74.45 110.003 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.463 ' CD1' HD13 ' B' ' 51' ' ' LEU . 96.6 m-85 -114.7 90.96 3.47 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.739 0.816 . . . . 75.33 109.067 174.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 41.3 mt-10 -71.61 104.7 3.4 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.169 -0.923 . . . . 72.15 109.279 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' B' ' 55' ' ' LEU . 14.9 tt -120.03 147.61 23.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 124.781 1.232 . . . . 75.05 108.345 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.517 ' HB3' HG13 ' B' ' 20' ' ' ILE . 31.9 tt0 -66.01 136.97 56.76 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 109.361 -0.607 . . . . 75.43 109.361 177.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . 0.465 ' HG3' HD11 ' B' ' 31' ' ' ILE . 38.1 ttpt -59.45 -34.02 72.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.774 0.829 . . . . 73.22 111.59 -175.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -60.07 -36.81 78.18 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.238 1.015 . . . . 73.25 111.566 175.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.517 HG13 ' HB3' ' B' ' 17' ' ' GLU . 9.5 mt -80.94 -30.15 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.104 0.562 . . . . 65.03 110.055 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.67 -19.37 60.85 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.585 0.754 . . . . 72.32 111.414 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 93.0 m -73.01 -22.5 60.65 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.587 0.755 . . . . 74.53 111.519 173.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 83.1 mtp -62.89 -32.62 73.92 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 121.623 0.725 . . . . 74.34 110.284 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.552 ' HA ' HG12 ' B' ' 100' ' ' ILE . 37.5 t -81.55 112.24 18.59 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.027 -0.988 . . . . 75.02 108.413 171.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 41.9 t -64.85 -39.52 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.05 0.386 . . . . 74.51 110.765 -176.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.426 ' O ' ' HG2' ' B' ' 30' ' ' MET . 97.2 m -60.96 -51.94 67.13 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.298 0.639 . . . . 75.24 111.44 178.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.68 HD12 HD13 ' B' ' 6' ' ' LEU . 82.4 mt -68.94 -35.47 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.25 0.62 . . . . 74.25 110.44 -177.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -58.34 -47.21 84.49 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.181 0.992 . . . . 75.21 110.192 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.39 -35.4 80.27 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.914 0.886 . . . . 73.3 111.183 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' B' ' 26' ' ' THR . 24.8 mmt -63.67 -47.61 80.56 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.828 0.451 . . . . 71.35 110.486 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.465 HD11 ' HG3' ' B' ' 18' ' ' LYS . 78.0 mt -65.83 -43.15 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 115.367 -0.833 . . . . 75.45 110.701 -177.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -71.79 -30.35 65.45 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.603 0.761 . . . . 74.05 111.878 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.45 -44.85 73.98 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.332 0.653 . . . . 60.43 110.623 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 64.2 mt -73.72 -21.87 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 CA-C-N 115.021 -0.991 . . . . 75.54 109.828 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.89 -73.96 2.56 Favored Glycine 0 C--N 1.347 1.157 0 N-CA-C 109.912 -1.275 . . . . 64.34 109.912 -175.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.75 96.67 5.72 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.9 -1.148 . . . . 75.53 107.9 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 26.3 t -79.79 82.04 5.95 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.009 0.433 . . . . 65.2 110.05 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.83 -32.42 65.49 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.513 -0.767 . . . . 71.53 109.143 173.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.4 m -74.22 138.81 75.34 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 114.92 -1.036 . . . . 74.51 109.091 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . 0.558 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 59.2 Cg_endo -69.57 143.6 52.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 C-N-CA 122.031 1.821 . . . . 65.42 111.258 174.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -97.19 105.17 22.89 Favored Pre-proline 0 CA--C 1.547 0.846 0 N-CA-C 109.479 -0.563 . . . . 73.4 109.479 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -80.82 145.86 16.18 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.184 1.922 . . . . 70.54 111.17 173.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.462 ' HB3' ' HE1' ' B' ' 97' ' ' TYR . 3.0 mm? -117.54 87.91 27.31 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 124.284 1.034 . . . . 71.04 108.318 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -80.45 63.99 8.83 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 123.337 2.691 . . . . 74.32 112.384 -175.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -158.37 -60.07 0.08 Allowed 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 114.868 -1.06 . . . . 72.3 108.862 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 6.9 p -83.28 130.43 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 CA-C-N 115.515 -0.766 . . . . 74.32 110.704 -176.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 76.0 p -73.3 168.5 19.05 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.781 0.832 . . . . 73.42 111.188 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.8 p -62.72 -46.58 87.44 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.907 0.706 . . . . 75.55 112.907 -172.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 39.4 p -65.41 -43.28 91.09 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.668 0.787 . . . . 74.44 111.525 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.456 HG22 HD22 ' B' ' 91' ' ' LEU . 51.1 mm -71.51 -42.85 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 115.908 -0.587 . . . . 75.44 110.572 -177.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' B' ' 14' ' ' PHE . 3.2 tm? -63.23 -37.56 87.71 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.921 0.888 . . . . 71.14 109.771 177.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.92 -51.79 68.53 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.927 0.767 . . . . 73.21 109.967 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.451 ' HE2' HG13 ' B' ' 83' ' ' VAL . 26.9 mtpp -58.83 -52.49 65.49 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.605 1.191 . . . . 74.02 111.595 -177.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.44 HG13 HD13 ' B' ' 100' ' ' ILE . 97.5 t -61.04 -41.88 90.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 123.079 0.552 . . . . 74.34 110.971 -174.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.443 ' HB3' HD12 ' B' ' 16' ' ' ILE . 43.2 mt -75.14 -28.71 60.28 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.387 0.514 . . . . 74.55 112.387 176.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.02 -33.44 65.75 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.179 0.592 . . . . 74.24 110.518 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . 0.564 ' HH ' HG23 ' B' ' 106' ' ' VAL . 80.0 t80 -62.41 -41.77 98.94 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.166 0.587 . . . . 71.13 109.836 171.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.07 -35.98 82.52 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.218 -0.901 . . . . 75.23 111.215 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.05 -45.5 93.28 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.485 0.714 . . . . 72.24 110.376 174.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -59.24 -48.07 83.0 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.063 -0.972 . . . . 75.44 111.041 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -77.21 -18.62 57.58 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 123.547 0.53 . . . . 74.1 111.295 -174.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -68.3 -48.62 64.46 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.851 0.86 . . . . 72.1 110.559 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.11 -18.97 24.87 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.194 -0.912 . . . . 75.11 110.979 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 . . . . . 0 C--O 1.242 0.678 0 C-N-CA 124.838 1.255 . . . . 75.1 107.864 176.272 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 60.4 mt . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 108.978 -0.749 . . . . 75.35 108.978 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.8 151.55 84.01 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 122.596 2.198 . . . . 72.23 112.001 177.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -45.24 -38.5 14.83 Favored 'Trans proline' 0 C--N 1.385 2.481 0 C-N-CA 124.431 3.421 . . . . 63.31 115.555 -177.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.94 -57.82 11.23 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 117.701 0.228 . . . . 75.42 110.785 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.2 -28.18 68.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.8 0.84 . . . . 72.23 111.021 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.28 -56.28 8.01 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.837 -0.62 . . . . 75.32 110.152 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.07 -23.94 64.1 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.757 0.823 . . . . 63.11 111.626 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.471 ' HE1' HD23 ' B' ' 103' ' ' LEU . 54.3 t80 -61.3 -51.91 66.89 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.821 0.848 . . . . 75.53 110.123 174.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 80.8 m -83.05 -26.74 30.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.08 -0.964 . . . . 74.04 111.102 -175.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.597 ' HB3' ' HZ3' ' B' ' 82' ' ' LYS . 9.3 mtpm? -80.38 84.49 6.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.554 0.692 . . . . 72.31 109.207 175.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.451 HG13 ' HE2' ' B' ' 53' ' ' LYS . 16.7 m -123.44 -178.48 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 114.657 -1.156 . . . . 71.11 109.607 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -65.04 153.35 40.98 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.604 0.761 . . . . 75.31 110.261 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.524 ' HA ' HD13 ' B' ' 88' ' ' LEU . 57.0 tp60 -54.79 -50.15 87.58 Favored Pre-proline 0 CA--C 1.567 1.609 0 C-N-CA 123.827 0.851 . . . . 71.24 113.23 -171.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . 0.498 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 32.7 Cg_exo -63.26 -36.7 55.32 Favored 'Trans proline' 0 C--N 1.387 2.576 0 C-N-CA 122.339 2.026 . . . . 73.14 113.452 172.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 15.8 m -63.82 -31.56 72.77 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.825 0.85 . . . . 73.24 111.126 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' B' ' 85' ' ' GLN . 61.4 mt -60.22 -48.9 79.77 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.165 0.986 . . . . 74.04 110.54 173.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -66.75 -31.11 71.54 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.604 -0.726 . . . . 72.31 111.265 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -64.6 -38.41 90.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.964 0.506 . . . . 71.51 111.422 175.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.456 HD22 HG22 ' B' ' 50' ' ' ILE . 97.5 mt -70.39 -34.25 72.34 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.183 0.593 . . . . 71.11 111.017 176.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.03 -45.41 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.254 0.622 . . . . 74.44 110.24 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.76 -40.59 95.54 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.714 0.806 . . . . 73.44 110.773 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.05 -42.1 73.34 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.475 0.71 . . . . 65.24 111.423 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.471 ' HB3' HD13 ' B' ' 103' ' ' LEU . . . -73.08 -29.34 62.87 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.875 0.47 . . . . 73.23 111.522 -178.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -68.95 -45.83 69.73 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.832 0.853 . . . . 73.22 109.442 172.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . 0.462 ' HE1' ' HB3' ' B' ' 43' ' ' LEU . 71.3 t80 -69.3 -37.28 77.72 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.49 1.116 . . . . 74.51 111.92 -177.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.488 HD22 HD11 ' B' ' 27' ' ' ILE . 96.0 mt -91.46 -8.25 48.28 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.455 0.702 . . . . 73.05 110.767 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.519 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 0.7 OUTLIER 67.72 22.25 8.99 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.42 1.088 . . . . 70.0 110.947 174.366 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.552 HG12 ' HA ' ' B' ' 24' ' ' SER . 33.2 mt -84.17 85.54 2.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 108.552 -0.907 . . . . 75.13 108.552 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.89 -37.96 32.32 Favored Pre-proline 0 CA--C 1.562 1.415 0 CA-C-N 114.052 -1.431 . . . . 75.01 112.764 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -48.25 -46.65 22.18 Favored 'Trans proline' 0 C--N 1.398 3.17 0 C-N-CA 122.601 2.201 . . . . 62.13 114.042 169.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.471 HD23 ' HE1' ' B' ' 80' ' ' PHE . 2.6 tm? -77.93 -41.19 37.19 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.23 0.612 . . . . 73.52 109.83 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.481 HD23 HD23 ' A' ' 104' ' ' LEU . 62.9 tp -57.2 -43.05 82.37 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.42 1.088 . . . . 75.21 111.027 -178.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.01 -49.0 76.35 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 124.112 0.882 . . . . 65.23 110.427 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.564 HG23 ' HH ' ' B' ' 57' ' ' TYR . 97.3 t -60.56 -44.84 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.286 0.634 . . . . 73.11 111.287 -178.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 19.2 m -68.78 -37.92 79.66 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.102 0.561 . . . . 72.15 111.366 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 97.2 m -67.49 -31.96 72.46 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.159 0.584 . . . . 72.45 110.743 177.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.76 -36.53 62.57 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.073 0.549 . . . . 75.42 110.446 175.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.4 m -64.67 -46.76 81.08 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.03 0.532 . . . . 73.04 110.844 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.53 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 31.6 m -67.43 -32.97 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 116.154 -0.476 . . . . 74.12 110.902 178.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.22 -31.69 67.89 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.365 0.666 . . . . 74.11 110.863 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -33.74 75.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.107 0.563 . . . . 75.33 111.766 -179.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.53 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 38.6 mtm -65.47 -33.52 76.14 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.827 0.704 . . . . 73.13 111.612 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . 0.433 HD11 ' CD2' ' A' ' 89' ' ' PHE . 25.8 pt -94.76 -35.17 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 116.264 -0.426 . . . . 64.34 111.193 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 . . . . . 0 C--N 1.355 0.819 0 C-N-CA 125.852 1.661 . . . . 74.32 108.773 179.258 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.3 mt . . . . . 0 CA--C 1.543 0.697 0 N-CA-C 110.613 -0.143 . . . . 75.22 110.613 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -85.3 131.83 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.748 -0.834 . . . . 74.43 108.748 168.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 85.5 mttt -103.38 125.21 49.86 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.961 -0.755 . . . . 75.44 108.961 -172.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -119.78 96.9 5.37 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.311 0.644 . . . . 74.52 109.596 -172.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -75.14 109.08 8.33 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.28 -0.637 . . . . 71.44 109.28 174.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.9 p -63.64 -175.22 0.12 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.013 0.925 . . . . 74.43 112.044 175.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 t -57.27 -30.73 64.92 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.751 0.821 . . . . 53.21 111.055 172.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.546 ' HB2' ' HB3' ' A' ' 48' ' ' SER . 6.3 m-20 -89.58 9.4 26.92 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.265 1.026 . . . . 74.21 111.77 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 62.19 20.6 11.84 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.33 1.052 . . . . 71.33 112.415 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -79.34 120.97 24.53 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.697 -0.853 . . . . 73.21 108.697 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.1 t -76.89 96.31 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.065 0.946 . . . . 64.51 109.708 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -85.97 89.62 7.85 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.396 0.617 . . . . 74.34 110.473 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -77.5 101.94 6.69 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.73 -1.123 . . . . 53.44 108.862 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.591 HD12 ' HB3' ' A' ' 55' ' ' LEU . 19.4 tt -131.84 151.89 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 108.901 -0.777 . . . . 75.42 108.901 -178.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -59.57 136.74 58.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 122.985 0.514 . . . . 74.23 111.11 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 18' ' ' LYS . 31.7 ttpt -56.97 -39.77 75.23 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.426 1.09 . . . . 74.01 111.224 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -52.34 -37.86 57.15 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.532 1.133 . . . . 75.41 111.567 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.468 HG23 HD13 ' A' ' 16' ' ' ILE . 32.6 mt -74.56 -42.12 48.77 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 114.555 -1.202 . . . . 74.33 109.903 -177.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -10.16 59.19 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.739 0.816 . . . . 74.33 112.499 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -73.36 -25.85 60.76 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.276 0.63 . . . . 71.04 111.529 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.483 ' SD ' ' ND1' ' A' ' 61' ' ' HIS . 46.0 mtm -69.84 -33.58 72.5 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.203 0.525 . . . . 73.42 110.097 175.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 t -69.25 108.18 3.55 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.744 -1.116 . . . . 65.21 108.303 168.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' ' 99' ' ' ASP . 65.5 t -59.44 -41.6 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.577 0.751 . . . . 75.11 110.476 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 m -65.09 -52.5 55.15 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.914 0.885 . . . . 74.42 112.28 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.405 HG13 HD22 ' A' ' 98' ' ' LEU . 83.0 mt -63.52 -42.73 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 109.979 -0.378 . . . . 72.23 109.979 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -60.38 -44.84 95.26 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.484 0.714 . . . . 74.25 110.8 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -67.8 -30.59 70.06 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.47 0.482 . . . . 70.24 111.473 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.6 mtt -66.84 -42.01 86.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.053 0.541 . . . . 74.3 110.627 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.9 mt -63.21 -47.97 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 123.525 0.73 . . . . 71.31 109.754 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.42 -36.06 82.93 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.884 0.873 . . . . 62.52 111.803 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.84 -43.05 80.44 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.793 0.837 . . . . 74.01 110.753 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.7 mt -70.55 -28.55 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-N 115.398 -0.819 . . . . 74.14 109.707 174.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.1 14.93 53.68 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 116.129 -0.487 . . . . 74.33 112.172 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 70.46 97.84 0.06 Allowed 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.733 1.613 . . . . 74.13 110.742 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.4 p -114.91 -177.95 3.25 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.133 0.973 . . . . 74.12 109.2 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -82.18 -11.29 58.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.189 0.596 . . . . 75.4 110.368 173.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -60.33 130.24 89.5 Favored Pre-proline 0 C--N 1.357 0.932 0 C-N-CA 123.976 0.91 . . . . 75.22 110.368 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.517 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.0 Cg_endo -68.86 160.03 51.4 Favored 'Trans proline' 0 C--N 1.365 1.434 0 C-N-CA 122.734 2.29 . . . . 62.02 111.609 175.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -107.98 94.04 11.98 Favored Pre-proline 0 CA--C 1.55 0.975 0 N-CA-C 107.769 -1.196 . . . . 73.44 107.769 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -71.82 128.41 14.14 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.592 2.195 . . . . 71.31 110.943 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.3 mt -109.4 83.81 2.69 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 124.06 0.944 . . . . 60.42 108.55 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -79.79 -3.13 12.64 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.585 2.19 . . . . 72.22 112.791 -172.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -78.96 -50.2 11.53 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.191 0.996 . . . . 73.45 109.672 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.18 137.1 22.22 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.369 0.668 . . . . 75.13 110.467 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -76.08 171.25 14.78 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.787 0.835 . . . . 74.01 111.04 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.546 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 67.5 p -70.49 -48.16 57.07 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.817 0.673 . . . . 65.1 112.817 -171.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.1 p -62.72 -38.96 92.51 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.277 0.631 . . . . 73.43 110.859 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.414 HG23 HD21 ' A' ' 91' ' ' LEU . 49.7 mm -73.54 -47.79 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.592 -0.731 . . . . 65.55 110.218 -178.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 44.0 tp -61.49 -34.19 75.06 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.899 0.749 . . . . 73.23 110.548 178.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.93 -53.63 56.24 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.458 0.703 . . . . 65.21 109.812 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -62.86 -40.51 97.71 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.544 -0.753 . . . . 72.33 111.349 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.446 ' HA ' HD13 ' A' ' 103' ' ' LEU . 56.0 t -57.77 -40.25 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.292 0.637 . . . . 75.02 110.225 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.591 ' HB3' HD12 ' A' ' 16' ' ' ILE . 71.0 mt -74.67 -31.62 61.97 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.166 -0.925 . . . . 75.02 111.954 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -70.8 -37.56 73.27 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.187 0.595 . . . . 75.15 111.918 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.452 ' HH ' HG23 ' A' ' 106' ' ' VAL . 60.9 t80 -67.18 -40.98 86.66 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 121.128 0.49 . . . . 74.32 109.993 173.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.636 ' SG ' HD11 ' A' ' 100' ' ' ILE . 99.1 m -64.71 -34.88 79.34 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.639 -0.71 . . . . 72.42 111.093 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -64.48 -41.09 96.69 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.39 0.676 . . . . 73.5 109.945 173.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -56.59 -39.17 73.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.648 0.779 . . . . 65.34 110.955 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.483 ' ND1' ' SD ' ' A' ' 23' ' ' MET . 58.6 t-80 -74.47 -29.24 61.37 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.607 0.567 . . . . 73.04 111.641 179.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -79.11 -27.72 42.92 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 122.151 -0.343 . . . . 62.43 110.842 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -80.53 -36.24 33.4 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.504 0.722 . . . . 74.04 110.222 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 . . . . . 0 N--CA 1.477 0.885 0 C-N-CA 124.6 1.16 . . . . 74.2 107.963 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.0 mt . . . . . 0 CA--C 1.547 0.862 0 N-CA-C 109.141 -0.688 . . . . 71.13 109.141 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -77.85 130.63 10.62 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.611 2.207 . . . . 74.43 110.955 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -48.55 -38.57 36.03 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 123.784 2.989 . . . . 71.44 114.055 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -58.31 -55.21 37.94 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.662 0.785 . . . . 72.24 111.58 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.27 -27.42 65.41 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.471 0.708 . . . . 75.0 111.441 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -66.91 -49.12 66.57 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.122 0.569 . . . . 74.54 110.451 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -67.54 -24.94 65.6 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.333 0.653 . . . . 65.13 111.694 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -63.15 -44.48 95.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.774 0.829 . . . . 72.13 110.494 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.7 m -74.78 -12.84 60.5 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.309 -0.86 . . . . 64.1 111.838 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -79.16 83.23 5.24 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 121.257 0.551 . . . . 72.35 109.995 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 m -132.42 169.51 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.604 1.161 . . . . 74.42 108.877 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -75.82 170.08 16.91 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.826 0.45 . . . . 74.43 110.046 -177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.412 ' OE1' ' HE1' ' A' ' 114' ' ' MET . 6.3 tp60 -61.29 -52.1 73.3 Favored Pre-proline 0 CA--C 1.562 1.409 0 N-CA-C 113.544 0.942 . . . . 74.31 113.544 -172.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 31.3 Cg_endo -60.43 -35.41 90.91 Favored 'Trans proline' 0 C--N 1.391 2.782 0 C-N-CA 121.716 1.611 . . . . 75.2 111.583 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.4 m -66.96 -32.15 73.21 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.374 1.07 . . . . 70.21 111.487 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.4 mt -60.4 -48.85 79.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.878 0.871 . . . . 75.41 110.12 172.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -66.16 -31.53 72.43 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 115.5 -0.773 . . . . 74.32 111.643 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 37.4 mm-40 -66.12 -37.84 86.71 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.12 0.568 . . . . 74.35 111.049 176.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.431 ' HB2' HG22 ' A' ' 107' ' ' THR . 95.7 mt -70.75 -34.77 72.19 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.148 0.579 . . . . 71.03 110.924 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.02 -48.54 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.357 0.663 . . . . 72.12 109.685 173.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.58 -44.21 94.74 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.754 0.822 . . . . 74.34 111.057 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.1 73.14 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.504 0.722 . . . . 72.12 111.773 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.461 ' HB3' HD21 ' A' ' 103' ' ' LEU . . . -68.4 -37.68 80.59 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.986 0.514 . . . . 71.42 111.258 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -69.65 -38.52 77.17 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.496 0.718 . . . . 75.04 110.781 175.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.66 -33.4 75.86 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.348 1.059 . . . . 75.34 111.187 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.405 HD22 HG13 ' A' ' 27' ' ' ILE . 85.7 mt -99.5 -5.54 29.11 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.319 0.648 . . . . 74.12 111.764 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.423 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 3.1 m-20 59.13 30.06 19.75 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.636 1.174 . . . . 73.11 112.05 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.636 HD11 ' SG ' ' A' ' 58' ' ' CYS . 66.1 mt -78.84 87.94 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.585 0 N-CA-C 108.176 -1.046 . . . . 74.12 108.176 173.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.04 -44.2 99.59 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 117.746 -1.121 . . . . 74.42 113.551 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -52.79 -52.94 7.71 Favored 'Trans proline' 0 C--N 1.392 2.849 0 C-N-CA 122.111 1.874 . . . . 65.44 113.447 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 95' ' ' ALA . 5.2 tt -65.49 -46.2 80.64 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.369 0.668 . . . . 65.34 110.364 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.858 HD23 HD23 ' B' ' 104' ' ' LEU . 57.2 tp -59.79 -41.42 91.14 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.997 0.919 . . . . 73.05 111.486 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.422 ' HA ' HD22 ' B' ' 96' ' ' ASN . 20.7 t70 -60.53 -50.67 72.62 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.19 0.996 . . . . 74.24 110.231 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.452 HG23 ' HH ' ' A' ' 57' ' ' TYR . 70.9 t -60.94 -50.69 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.374 -0.83 . . . . 63.54 111.362 -178.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 91' ' ' LEU . 25.3 m -70.68 -35.79 73.0 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 112.353 0.501 . . . . 70.32 112.353 -171.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.5 m -65.02 -35.37 80.96 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.734 0.414 . . . . 62.24 110.295 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -76.01 -31.39 58.9 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.121 0.569 . . . . 71.05 111.657 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -63.78 -47.2 81.88 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.326 0.65 . . . . 73.24 110.579 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.532 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 33.0 m -65.44 -32.52 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 116.098 -0.501 . . . . 73.21 110.684 176.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.58 -26.96 62.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.408 0.683 . . . . 64.52 111.968 176.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.488 ' HA ' ' HB2' ' A' ' 116' ' ' ARG . 33.6 m-80 -70.55 -25.3 63.04 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.938 0.495 . . . . 75.24 111.781 177.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.532 ' HE3' ' HA ' ' A' ' 111' ' ' VAL . 54.4 mtm -71.83 -36.73 70.29 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.299 0.571 . . . . 74.14 110.966 177.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 43.2 pt -100.21 3.79 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.055 0.942 . . . . 75.13 111.467 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.488 ' HB2' ' HA ' ' A' ' 113' ' ' ASN . 63.8 ttt-85 -51.89 71.25 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 126.828 2.051 . . . . 72.13 114.734 -169.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 2.255 0 C-N-CA 124.943 1.259 . . . . 75.23 115.697 179.429 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.986 0.422 . . . . 73.54 110.543 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.8 mt -83.43 117.35 23.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.779 0.432 . . . . 75.34 110.579 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 26.1 m -85.16 131.27 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 108.746 -0.835 . . . . 61.05 108.746 168.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.454 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 87.0 mttt -103.09 125.6 49.88 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.11 -0.7 . . . . 74.54 109.11 -172.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -119.85 97.21 5.51 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.527 0.731 . . . . 74.42 109.707 -172.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.13 109.55 8.71 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.374 -0.602 . . . . 62.41 109.374 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 34.9 p -64.33 -175.17 0.15 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.987 0.915 . . . . 74.4 112.095 176.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -58.16 -29.92 65.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.788 0.835 . . . . 75.51 111.015 172.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . 0.557 ' HB2' ' HB3' ' B' ' 48' ' ' SER . 4.6 m-20 -89.46 9.62 25.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.272 1.029 . . . . 75.0 111.929 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 62.95 18.39 10.82 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.568 1.147 . . . . 64.15 112.907 175.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -77.86 121.39 24.05 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.754 -0.832 . . . . 75.41 108.754 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.06 95.58 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 O-C-N 124.18 0.925 . . . . 74.32 109.935 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -85.62 89.56 7.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.421 0.689 . . . . 73.0 110.509 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -78.42 100.33 6.77 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.616 -1.175 . . . . 75.23 109.079 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.575 HD12 ' HB3' ' B' ' 55' ' ' LEU . 19.6 tt -129.97 151.77 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 108.962 -0.755 . . . . 74.4 108.962 -178.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -59.68 136.65 58.06 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.153 0.581 . . . . 63.43 111.078 -178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -56.51 -39.76 73.85 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.37 1.068 . . . . 73.41 111.541 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.49 -38.79 60.25 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.493 1.117 . . . . 74.4 111.382 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . 0.467 HG23 HD13 ' B' ' 16' ' ' ILE . 33.8 mt -73.24 -42.26 58.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-N 114.515 -1.221 . . . . 71.3 110.017 -177.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.16 -10.78 59.68 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 115.352 -0.84 . . . . 73.43 112.59 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 83.1 m -73.34 -25.17 60.51 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.1 0.56 . . . . 74.12 111.484 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' MET . . . . . 0.478 ' SD ' ' ND1' ' B' ' 61' ' ' HIS . 50.1 mtm -70.38 -33.34 71.29 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.281 0.562 . . . . 74.43 110.12 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.2 t -69.16 108.06 3.46 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.736 -1.12 . . . . 64.32 108.132 168.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.437 ' HB ' ' HB2' ' B' ' 99' ' ' ASP . 66.5 t -59.44 -41.07 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.578 0.751 . . . . 74.22 110.495 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 32.6 m -65.34 -52.74 51.84 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.711 0.804 . . . . 73.31 112.232 -176.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.46 -42.73 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 122.712 0.405 . . . . 72.11 109.949 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -60.29 -45.04 94.74 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.381 0.673 . . . . 70.13 110.68 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -66.57 -32.0 73.06 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.483 0.49 . . . . 75.02 111.816 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.5 mtt -66.54 -41.63 88.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.654 0.596 . . . . 70.21 110.457 175.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.03 -48.43 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 C-N-CA 123.364 0.666 . . . . 74.11 109.839 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.58 -35.58 81.45 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.915 0.886 . . . . 75.52 111.684 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.47 -43.45 80.97 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.164 0.986 . . . . 72.3 110.746 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -71.3 -27.35 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.283 -0.871 . . . . 65.32 109.91 174.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.16 18.43 49.99 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 116.021 -0.536 . . . . 65.02 112.078 -176.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 68.4 97.02 0.06 Allowed 'General case' 0 C--N 1.351 0.655 0 C-N-CA 125.717 1.607 . . . . 74.51 111.224 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 59.4 p -113.69 -178.78 3.46 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.452 1.101 . . . . 73.31 109.204 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -83.0 -11.5 58.06 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.969 -0.559 . . . . 75.34 110.378 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -60.23 132.69 90.31 Favored Pre-proline 0 C--N 1.358 0.935 0 C-N-CA 124.073 0.949 . . . . 72.44 110.557 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . 0.454 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 60.9 Cg_endo -70.7 161.19 46.93 Favored 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 122.943 2.428 . . . . 73.13 111.74 176.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.65 93.54 12.25 Favored Pre-proline 0 CA--C 1.551 0.982 0 N-CA-C 107.635 -1.246 . . . . 72.22 107.635 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.83 127.17 12.69 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.564 2.176 . . . . 52.22 111.056 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.8 mt -108.39 84.28 2.27 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 124.055 0.942 . . . . 73.05 108.794 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -79.95 -3.18 12.61 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 122.564 2.176 . . . . 65.23 112.841 -173.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -78.1 -50.8 11.33 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.123 0.969 . . . . 71.44 109.414 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.25 136.83 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.533 0.733 . . . . 74.51 110.534 -176.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 70.6 p -75.83 171.45 14.37 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.774 0.83 . . . . 72.43 111.192 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.557 ' HB3' ' HB2' ' B' ' 10' ' ' ASP . 61.4 p -69.94 -48.5 58.19 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.236 0.614 . . . . 71.2 112.635 -171.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 55.1 p -63.24 -38.3 90.61 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.184 0.593 . . . . 75.24 110.958 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.407 HG23 HD21 ' B' ' 91' ' ' LEU . 50.7 mm -74.03 -47.66 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 115.398 -0.819 . . . . 74.23 110.092 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 44.5 tp -61.65 -33.95 74.85 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.964 0.79 . . . . 71.32 110.652 178.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.93 -53.86 53.68 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.399 0.68 . . . . 73.31 109.688 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -62.67 -40.59 97.55 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 123.909 0.756 . . . . 74.31 111.387 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.445 ' HA ' HD13 ' B' ' 103' ' ' LEU . 55.7 t -57.67 -40.37 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.219 0.608 . . . . 74.43 110.275 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.575 ' HB3' HD12 ' B' ' 16' ' ' ILE . 71.3 mt -74.48 -31.54 62.26 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.293 -0.867 . . . . 73.31 111.91 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -70.66 -37.62 73.71 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.222 0.609 . . . . 74.33 111.901 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . 0.462 ' HH ' HG23 ' B' ' 106' ' ' VAL . 59.8 t80 -67.41 -40.78 85.59 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.061 0.544 . . . . 73.22 110.025 173.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.639 ' SG ' HD11 ' B' ' 100' ' ' ILE . 98.3 m -64.8 -35.17 80.23 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.576 -0.738 . . . . 74.02 110.95 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.55 -40.79 96.23 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.417 0.687 . . . . 75.42 110.072 173.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -56.91 -39.23 74.06 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.54 0.736 . . . . 71.42 110.842 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . 0.478 ' ND1' ' SD ' ' B' ' 23' ' ' MET . 57.0 t-80 -74.29 -29.94 61.86 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.979 -0.555 . . . . 72.24 111.565 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -78.27 -29.11 47.84 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 120.937 0.398 . . . . 75.01 111.033 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -78.5 -36.92 44.34 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.668 0.787 . . . . 74.3 110.376 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 108.05 -1.093 . . . . 75.02 108.05 -179.932 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 108.981 -0.748 . . . . 75.04 108.981 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -77.36 130.66 11.11 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.56 2.174 . . . . 72.42 111.108 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -48.57 -39.42 37.17 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 123.782 2.988 . . . . 74.53 113.713 176.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -58.0 -54.83 42.51 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.718 0.807 . . . . 74.01 111.645 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.75 -27.6 66.06 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.372 0.669 . . . . 72.21 111.549 -175.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 52.1 ttt-85 -67.14 -49.54 64.45 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.024 0.53 . . . . 73.32 110.213 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.72 -24.0 65.33 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.527 0.731 . . . . 74.14 111.442 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.92 -45.5 88.98 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.736 0.815 . . . . 75.32 110.398 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.51 -13.17 61.0 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.179 -0.919 . . . . 73.42 111.719 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -78.5 83.4 4.7 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 121.143 0.496 . . . . 73.44 110.123 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.62 169.9 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.517 1.127 . . . . 74.42 109.014 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -76.77 170.05 17.17 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.003 0.521 . . . . 65.14 109.905 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.413 ' OE1' ' HE1' ' B' ' 114' ' ' MET . 6.9 tp60 -60.83 -52.7 70.52 Favored Pre-proline 0 N--CA 1.488 1.443 0 N-CA-C 113.617 0.969 . . . . 75.01 113.617 -172.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . 0.409 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 31.1 Cg_endo -60.34 -35.74 90.1 Favored 'Trans proline' 0 C--N 1.389 2.691 0 C-N-CA 121.887 1.725 . . . . 74.31 111.624 175.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 16.1 m -67.07 -31.93 72.76 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.329 1.052 . . . . 73.24 111.42 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.95 -49.21 78.57 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.982 0.913 . . . . 73.24 109.989 172.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -66.17 -31.5 72.37 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 115.588 -0.733 . . . . 74.1 111.76 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 33.6 mm-40 -66.4 -37.29 84.9 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.509 0.506 . . . . 62.02 110.925 176.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.426 ' HB2' HG22 ' B' ' 107' ' ' THR . 95.6 mt -70.87 -34.75 71.94 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.19 0.596 . . . . 73.54 110.787 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.99 -48.41 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.354 0.662 . . . . 72.33 109.811 173.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.65 -44.52 93.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.864 0.866 . . . . 74.11 111.039 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.57 -43.85 75.67 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.932 0.77 . . . . 65.11 111.695 -176.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.46 ' HB3' HD21 ' B' ' 103' ' ' LEU . . . -68.99 -37.71 78.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.1 -0.5 . . . . 63.42 111.419 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . 0.422 HD22 ' HA ' ' A' ' 105' ' ' ASP . 62.8 t30 -70.11 -37.59 75.4 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.535 0.734 . . . . 74.45 111.168 175.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.36 -32.33 73.92 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.351 1.06 . . . . 74.32 111.076 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.423 HD12 HG11 ' B' ' 54' ' ' VAL . 85.4 mt -100.65 -5.24 26.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.115 0.566 . . . . 74.33 111.914 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . 0.437 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 3.2 m-20 59.27 29.28 18.82 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.683 1.193 . . . . 73.45 112.169 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.639 HD11 ' SG ' ' B' ' 58' ' ' CYS . 65.7 mt -78.3 87.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.444 0 N-CA-C 108.24 -1.022 . . . . 75.33 108.24 173.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -55.51 -44.9 99.89 Favored Pre-proline 0 CA--C 1.562 1.405 0 CA-C-O 117.575 -1.202 . . . . 74.03 113.403 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.59 -52.72 8.24 Favored 'Trans proline' 0 C--N 1.393 2.92 0 C-N-CA 122.2 1.933 . . . . 74.42 113.639 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' B' ' 95' ' ' ALA . 5.3 tt -65.61 -46.61 78.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.358 0.663 . . . . 73.12 110.414 -177.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . 0.858 HD23 HD23 ' A' ' 104' ' ' LEU . 56.2 tp -59.5 -41.56 90.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.97 0.908 . . . . 74.31 111.56 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.54 -49.91 75.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.118 0.967 . . . . 74.54 110.348 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.462 HG23 ' HH ' ' B' ' 57' ' ' TYR . 72.5 t -61.49 -50.72 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.38 -0.827 . . . . 72.21 111.53 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' THR . . . . . 0.426 HG22 ' HB2' ' B' ' 91' ' ' LEU . 26.0 m -70.63 -35.72 73.08 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.901 0.48 . . . . 64.42 112.205 -171.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 70.8 m -65.11 -34.69 78.99 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.793 0.437 . . . . 71.22 110.586 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -76.49 -31.79 57.94 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.18 0.592 . . . . 73.04 111.695 174.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 97.1 m -63.28 -47.52 81.97 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.332 0.653 . . . . 74.14 110.355 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.548 ' HA ' ' HE3' ' B' ' 114' ' ' MET . 33.6 m -65.66 -32.67 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 CA-C-N 115.916 -0.584 . . . . 72.23 110.75 176.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.64 -26.88 62.73 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.433 0.693 . . . . 74.53 111.677 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -70.85 -25.17 62.7 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.961 0.504 . . . . 74.54 111.836 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.548 ' HE3' ' HA ' ' B' ' 111' ' ' VAL . 54.3 mtm -71.3 -36.6 71.69 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.203 0.525 . . . . 75.21 110.626 178.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.7 pt -102.17 5.18 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 C-N-CA 124.545 1.138 . . . . 74.44 112.112 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 . . . . . 0 N--CA 1.499 1.99 0 N-CA-C 118.058 2.614 . . . . 75.42 118.058 -162.334 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.4 mt . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 110.431 -0.211 . . . . 74.41 110.431 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.6 m -79.31 127.02 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 121.612 0.72 . . . . 73.45 109.57 174.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.51 ' HB3' HG11 ' A' ' 13' ' ' VAL . 90.9 mttt -88.74 113.69 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.071 -0.968 . . . . 75.21 109.469 -172.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.593 HD12 HD12 ' A' ' 27' ' ' ILE . 62.6 mt -115.63 103.73 11.0 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.656 -0.868 . . . . 73.32 108.656 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.652 ' HB2' ' HB3' ' A' ' 42' ' ' PRO . 6.1 mp0 -76.72 150.35 36.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.219 0.533 . . . . 74.12 110.028 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.5 p -89.39 -174.39 4.36 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.7 0.8 . . . . 73.22 111.22 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.6 t -57.91 -33.02 68.31 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.565 0.746 . . . . 72.35 110.295 167.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.61 1.73 40.8 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.433 1.093 . . . . 62.1 111.908 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 64.91 20.86 12.23 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.816 1.247 . . . . 73.25 112.22 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -80.1 123.57 27.99 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.343 -0.614 . . . . 74.41 109.343 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.51 HG11 ' HB3' ' A' ' 5' ' ' LYS . 96.5 t -75.89 103.74 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.466 1.106 . . . . 75.44 110.92 -172.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -94.76 94.01 7.84 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.352 -0.61 . . . . 75.14 109.352 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 33.6 mt-10 -74.41 79.74 1.89 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.049 -0.978 . . . . 73.23 108.709 178.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 tp -91.36 146.71 5.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.15 -0.932 . . . . 71.44 108.864 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.58 135.1 55.63 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 108.633 -0.877 . . . . 74.33 108.633 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -61.64 -35.33 77.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.593 0.757 . . . . 75.44 112.768 -166.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -72.53 -26.92 61.94 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.867 0.467 . . . . 74.33 110.759 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mt -73.25 -35.66 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-O 121.158 0.504 . . . . 72.11 109.729 172.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -25.18 63.64 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.216 0.607 . . . . 62.31 110.83 173.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 78.3 m -75.82 -28.31 58.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.273 0.629 . . . . 70.21 111.35 173.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.8 mtp -61.81 -33.11 73.55 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.407 0.622 . . . . 73.03 109.945 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.508 ' HA ' HG12 ' A' ' 100' ' ' ILE . 37.6 t -73.72 104.2 4.56 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.924 -1.139 . . . . 72.43 107.924 164.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.52 -38.23 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 122.547 0.339 . . . . 73.23 111.571 -171.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.4 m -61.05 -48.66 80.71 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.943 0.497 . . . . 74.21 111.481 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.593 HD12 HD12 ' A' ' 6' ' ' LEU . 75.3 mt -66.18 -39.26 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 122.714 0.406 . . . . 75.22 110.042 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 22.7 ttpp -57.04 -46.72 82.2 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.966 0.906 . . . . 75.31 110.812 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.42 -43.66 98.49 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.119 0.887 . . . . 74.14 110.323 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.6 mtt -58.96 -46.06 89.0 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.988 0.805 . . . . 74.32 110.649 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.55 -46.82 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.802 0.841 . . . . 75.12 110.163 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.89 -40.46 97.6 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.525 0.73 . . . . 65.32 111.876 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -64.23 -44.05 93.05 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.9 0.48 . . . . 75.02 111.014 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.95 -28.58 33.93 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.517 -0.765 . . . . 63.32 110.488 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.67 24.28 16.18 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 116.476 -0.329 . . . . 71.2 112.446 -177.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 67.44 92.07 0.08 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.808 1.643 . . . . 74.34 111.06 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.6 p -108.43 163.17 13.45 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.503 0.721 . . . . 54.11 111.006 -177.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -18.97 51.89 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.859 0.864 . . . . 54.33 110.394 173.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.0 p -57.42 125.83 72.89 Favored Pre-proline 0 CA--C 1.551 1.001 0 O-C-N 124.226 0.954 . . . . 75.03 111.784 -175.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.7 Cg_endo -69.54 135.18 30.3 Favored 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 122.51 2.14 . . . . 72.43 111.528 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.8 mm -107.43 97.45 19.4 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 122.972 0.509 . . . . 72.55 109.647 -175.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.652 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 74.4 Cg_endo -75.38 131.42 13.85 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 122.386 2.057 . . . . 72.33 111.911 175.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.516 HD13 ' HH ' ' A' ' 97' ' ' TYR . 2.4 mm? -102.03 96.33 6.71 Favored Pre-proline 0 CA--C 1.553 1.061 0 N-CA-C 108.409 -0.96 . . . . 75.01 108.409 172.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -76.22 -9.47 19.08 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 122.83 2.353 . . . . 63.05 113.425 -174.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -70.61 -52.22 22.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.713 0.805 . . . . 63.24 110.501 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -89.99 135.68 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 115.593 -0.73 . . . . 74.21 110.056 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.7 p -78.91 172.66 13.47 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.363 0.665 . . . . 73.4 111.092 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.3 p -65.22 -48.28 73.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.496 0.718 . . . . 72.3 112.356 -173.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.5 m -63.7 -45.37 90.32 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.788 0.68 . . . . 70.32 111.266 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.2 mm -70.48 -44.23 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 122.457 0.303 . . . . 71.51 110.229 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.9 -40.49 95.64 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.046 0.539 . . . . 75.44 110.34 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.99 -49.84 76.35 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 123.839 0.712 . . . . 62.44 110.417 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -66.98 -42.31 85.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 124.34 1.025 . . . . 74.13 111.919 -176.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.37 -38.45 80.83 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 N-CA-C 109.889 -0.411 . . . . 73.34 109.889 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.73 -30.16 65.31 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.856 0.462 . . . . 72.2 111.084 173.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -71.12 -35.98 71.96 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.71 0.804 . . . . 63.31 109.772 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -68.22 -43.34 78.18 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 115.696 -0.684 . . . . 71.42 109.789 170.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.642 ' SG ' HD11 ' A' ' 100' ' ' ILE . 78.3 m -61.87 -31.26 71.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 122.363 0.265 . . . . 72.53 111.001 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 24.5 mtp180 -66.02 -49.3 68.21 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.902 0.881 . . . . 74.25 109.792 171.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -54.4 -46.63 73.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.483 1.113 . . . . 73.12 111.812 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -80.26 -15.62 56.54 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.627 0.771 . . . . 75.51 111.011 -176.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -79.61 -47.23 15.79 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.438 0.695 . . . . 74.13 110.01 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 16.2 mm100 -72.29 -30.45 64.82 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.342 -0.845 . . . . 72.41 110.155 -178.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 124.059 0.944 . . . . 75.11 108.929 175.431 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.2 mt . . . . . 1 N--CA 1.603 7.199 0 N-CA-C 113.338 0.866 . . . . 74.44 113.338 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -95.64 141.72 1.05 Allowed 'Trans proline' 0 C--N 1.396 3.05 0 C-N-CA 121.483 1.456 . . . . 72.32 111.992 169.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.68 -22.52 64.23 Favored 'Trans proline' 0 CA--C 1.551 1.347 0 C-N-CA 122.239 1.959 . . . . 74.3 111.732 169.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -56.78 -54.22 48.82 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.529 1.531 . . . . 74.32 111.394 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -71.38 -22.86 61.83 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.216 -0.902 . . . . 50.54 112.056 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -60.72 -41.56 95.53 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 109.977 -0.379 . . . . 74.11 109.977 173.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.78 -38.73 87.14 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 123.689 0.618 . . . . 73.43 110.873 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.504 ' CZ ' HD21 ' A' ' 103' ' ' LEU . 61.0 t80 -59.26 -41.15 88.13 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.577 0.751 . . . . 73.34 110.818 175.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.97 -2.53 21.39 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.84 0.856 . . . . 74.51 112.603 -174.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -77.17 83.71 3.65 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 121.734 0.778 . . . . 75.24 109.505 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.505 HG12 HD13 ' A' ' 91' ' ' LEU . 15.9 m -134.11 162.04 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.021 1.328 . . . . 75.23 109.216 -177.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.49 172.62 10.85 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.237 -1.023 . . . . 75.1 108.237 169.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.421 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 23.1 tp60 -61.81 -49.84 84.21 Favored Pre-proline 0 CA--C 1.568 1.666 0 CA-C-O 118.303 -0.856 . . . . 74.31 112.446 -175.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.421 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 49.3 Cg_exo -58.71 -41.1 66.93 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 122.064 1.843 . . . . 73.1 112.584 173.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.9 m -65.43 -30.24 71.01 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.083 0.953 . . . . 72.5 111.567 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.03 -44.96 87.4 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.008 0.923 . . . . 75.23 108.941 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.467 ' HE1' ' HE1' ' B' ' 89' ' ' PHE . 35.3 m-85 -68.23 -30.61 69.72 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.529 -0.76 . . . . 73.22 111.549 177.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -60.02 -35.88 76.02 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.016 0.526 . . . . 71.32 111.367 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.505 HD13 HG12 ' A' ' 83' ' ' VAL . 82.9 mt -67.73 -39.04 84.31 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.427 0.691 . . . . 72.44 110.5 176.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.7 -42.81 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.631 0.772 . . . . 73.54 110.301 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.22 -43.15 87.52 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.135 0.974 . . . . 73.21 110.673 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.66 -37.26 70.82 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.613 0.765 . . . . 70.22 111.448 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.494 ' HB3' HD11 ' A' ' 103' ' ' LEU . . . -72.61 -32.54 66.02 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.833 0.453 . . . . 72.34 111.568 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -75.37 -37.8 60.4 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.253 0.621 . . . . 75.22 110.022 175.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.516 ' HH ' HD13 ' A' ' 43' ' ' LEU . 54.9 t80 -66.57 -46.69 75.18 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.812 0.845 . . . . 61.45 111.125 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.419 HD23 HD11 ' A' ' 27' ' ' ILE . 98.8 mt -89.26 -7.41 55.51 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.686 0.794 . . . . 64.41 111.567 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.8 t0 61.5 34.12 18.16 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.673 1.189 . . . . 72.25 110.991 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.642 HD11 ' SG ' ' A' ' 58' ' ' CYS . 36.8 mt -87.61 80.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.429 0 N-CA-C 108.254 -1.017 . . . . 74.23 108.254 174.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.5 -37.12 38.24 Favored Pre-proline 0 CA--C 1.554 1.099 0 CA-C-N 114.212 -1.358 . . . . 73.43 113.518 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -46.96 -42.54 25.35 Favored 'Trans proline' 0 C--N 1.397 3.101 0 C-N-CA 121.866 1.711 . . . . 61.14 113.091 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.504 HD21 ' CZ ' ' A' ' 80' ' ' PHE . 2.2 tm? -79.62 -43.64 22.5 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.987 -0.375 . . . . 75.43 109.987 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.2 tp -55.65 -44.58 77.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.064 0.946 . . . . 72.11 111.269 -177.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -70.28 -42.74 71.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.058 0.849 . . . . 73.01 111.04 -175.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.0 t -61.05 -42.17 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.084 0.554 . . . . 73.24 110.578 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -71.77 -30.49 65.62 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.558 0.743 . . . . 74.01 110.88 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.432 ' HB3' HD23 ' B' ' 93' ' ' LEU . 89.8 m -69.92 -33.64 72.44 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.499 0.72 . . . . 62.45 110.287 173.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -71.56 -32.99 68.71 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.701 0.4 . . . . 74.05 110.472 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 83.8 m -60.52 -46.85 88.62 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.073 0.549 . . . . 74.01 110.691 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.426 ' HA ' ' HE1' ' A' ' 114' ' ' MET . 27.8 m -72.77 -36.41 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.622 0.369 . . . . 74.11 111.419 177.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 116' ' ' ARG . . . -63.68 -42.68 97.99 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.269 0.627 . . . . 73.01 111.585 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -63.4 -34.52 77.92 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.541 0.737 . . . . 60.43 111.791 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.426 ' HE1' ' HA ' ' A' ' 111' ' ' VAL . 59.4 mtm -78.78 -20.79 49.02 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.993 0.517 . . . . 73.34 111.867 -176.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.413 HG21 ' HD2' ' B' ' 89' ' ' PHE . 41.0 pt -101.33 -1.06 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 112.346 0.498 . . . . 74.15 112.346 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 112' ' ' ALA . 64.3 mtp180 -64.28 93.59 0.1 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.657 0.383 . . . . 73.43 110.182 175.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 CA-C-O 119.377 -0.68 . . . . 71.1 112.102 178.02 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.5 p . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.88 0.371 . . . . 63.44 110.947 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.36 118.18 11.92 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.902 0.881 . . . . 71.23 110.247 178.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 19.3 m -80.4 127.24 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-O 121.632 0.729 . . . . 74.15 109.531 174.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.504 ' HB3' HG11 ' B' ' 13' ' ' VAL . 90.1 mttt -88.5 113.73 24.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.979 -1.01 . . . . 65.05 109.496 -172.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.586 HD12 HD12 ' B' ' 27' ' ' ILE . 63.2 mt -115.54 103.57 10.87 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.493 -0.929 . . . . 64.43 108.493 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.633 ' HB2' ' HB3' ' B' ' 42' ' ' PRO . 5.7 mp0 -76.12 150.15 37.26 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.229 0.538 . . . . 72.03 110.001 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 25.6 p -89.57 -174.16 4.23 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.727 0.811 . . . . 74.31 111.242 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.5 t -58.57 -32.48 68.97 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.677 -0.692 . . . . 64.05 110.493 167.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -83.9 2.22 39.61 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.236 1.015 . . . . 74.23 111.553 177.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 65.23 19.36 11.7 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.996 1.318 . . . . 75.44 112.299 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -79.08 123.25 27.16 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 109.187 -0.671 . . . . 74.24 109.187 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.504 HG11 ' HB3' ' B' ' 5' ' ' LYS . 90.9 t -75.16 105.38 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.521 1.128 . . . . 75.43 110.697 -173.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -96.05 94.64 7.68 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.424 -0.584 . . . . 75.53 109.424 175.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.462 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 33.9 mt-10 -74.72 77.97 2.05 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.24 -0.891 . . . . 74.11 109.136 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.7 tp -89.85 146.69 5.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.436 -0.802 . . . . 73.43 109.115 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -64.83 135.91 56.29 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.664 -0.865 . . . . 64.41 108.664 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -62.41 -34.71 77.29 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.811 0.671 . . . . 74.03 112.811 -165.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -72.1 -27.8 62.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.788 0.435 . . . . 70.11 110.805 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 30.1 mt -72.97 -35.67 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 109.663 -0.495 . . . . 73.4 109.663 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.79 -25.4 63.77 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.14 0.576 . . . . 72.11 110.843 173.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' CYS . . . . . 0.474 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 78.1 m -75.58 -27.87 58.72 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.26 0.624 . . . . 70.41 111.253 173.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 87.4 mtp -62.6 -33.21 74.52 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.316 0.579 . . . . 75.34 109.795 173.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.506 ' HA ' HG12 ' B' ' 100' ' ' ILE . 37.4 t -73.73 104.35 4.61 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 107.878 -1.156 . . . . 62.42 107.878 164.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.38 -38.38 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.617 0.367 . . . . 65.23 111.722 -171.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 99.5 m -61.46 -48.48 80.95 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.032 0.533 . . . . 72.23 111.43 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.586 HD12 HD12 ' B' ' 6' ' ' LEU . 75.5 mt -65.77 -39.39 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 122.755 0.422 . . . . 73.35 109.899 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.474 ' HB2' ' HA ' ' B' ' 22' ' ' CYS . 22.2 ttpp -57.36 -46.51 83.27 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.907 0.883 . . . . 74.52 110.767 176.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -61.94 -42.56 99.25 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 123.951 0.782 . . . . 64.43 110.516 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 65.3 mtt -59.13 -46.59 87.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.622 0.769 . . . . 75.43 110.692 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 88.7 mt -57.66 -47.08 86.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 123.901 0.88 . . . . 74.54 110.134 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.85 -41.04 99.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.572 0.749 . . . . 72.13 111.781 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -64.31 -43.55 94.35 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.033 0.533 . . . . 73.53 111.027 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.16 -28.64 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 115.818 -0.628 . . . . 74.43 110.66 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.21 29.53 10.2 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 112.04 -0.424 . . . . 62.12 112.04 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 62.91 91.08 0.07 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.63 1.572 . . . . 75.0 111.065 177.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 33.7 p -106.96 165.06 11.62 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.594 0.758 . . . . 75.13 110.602 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -17.34 50.64 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.721 -0.672 . . . . 72.33 109.799 174.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 79.5 p -57.56 125.58 72.64 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 123.641 0.776 . . . . 64.21 111.867 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' PRO . . . . . 0.452 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 59.1 Cg_endo -69.19 134.68 29.81 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.504 2.136 . . . . 74.43 111.247 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mm -107.28 97.72 19.95 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.108 0.563 . . . . 73.44 109.581 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' PRO . . . . . 0.633 ' HB3' ' HB2' ' B' ' 7' ' ' GLU . 73.3 Cg_endo -76.16 129.84 11.65 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.489 2.126 . . . . 75.21 112.117 176.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.515 HD13 ' HH ' ' B' ' 97' ' ' TYR . 2.3 mm? -100.54 96.57 5.46 Favored Pre-proline 0 CA--C 1.554 1.1 0 N-CA-C 108.466 -0.939 . . . . 74.5 108.466 172.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -76.43 -9.72 18.83 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.93 2.42 . . . . 73.32 113.464 -175.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -70.1 -52.57 22.75 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.796 0.838 . . . . 74.4 110.43 176.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -89.85 136.05 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-N 115.599 -0.728 . . . . 73.52 110.079 -174.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 45.8 p -78.93 173.4 12.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.49 0.716 . . . . 74.34 111.041 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 53.4 p -66.22 -47.78 72.73 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.317 0.647 . . . . 72.13 112.285 -173.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 89.8 m -63.95 -45.8 87.54 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 123.781 0.676 . . . . 72.34 111.324 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 51.3 mm -69.91 -44.25 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 110.212 -0.292 . . . . 74.31 110.212 -177.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.9 -40.26 94.84 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.995 0.518 . . . . 74.43 110.434 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.33 -50.23 74.79 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 123.899 0.749 . . . . 73.33 110.251 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -66.04 -42.65 89.27 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 124.36 1.037 . . . . 75.35 111.732 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.49 -38.96 81.58 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 122.791 0.436 . . . . 73.32 110.092 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 83.6 mt -71.02 -30.12 66.24 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.956 0.502 . . . . 74.25 111.207 173.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -71.46 -36.32 71.17 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.807 0.843 . . . . 64.04 109.747 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.88 -42.98 80.41 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 115.666 -0.697 . . . . 75.43 109.647 170.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.628 ' SG ' HD11 ' B' ' 100' ' ' ILE . 74.7 m -62.27 -31.21 71.76 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 122.308 0.243 . . . . 55.03 111.017 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -65.99 -48.88 69.74 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.763 0.825 . . . . 75.33 109.725 171.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . 0.406 ' HE2' ' HG3' ' B' ' 74' ' ' PRO . 71.5 t60 -54.61 -46.8 73.91 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.629 1.172 . . . . 73.55 111.806 178.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -80.24 -15.48 56.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.734 0.814 . . . . 75.52 111.088 -176.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 t60 -79.7 -47.04 15.99 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.508 0.723 . . . . 71.33 110.213 177.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -72.22 -30.29 64.77 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.218 -0.901 . . . . 65.24 110.042 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 . . . . . 0 CA--C 1.535 0.399 0 C-N-CA 124.08 0.952 . . . . 72.02 108.556 175.764 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 22.8 mt . . . . . 1 N--CA 1.609 7.488 0 N-CA-C 118.658 2.836 . . . . 72.2 118.658 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' PRO . . . . . 0.406 ' HG3' ' HE2' ' B' ' 60' ' ' HIS . 66.2 Cg_endo -94.26 153.89 2.08 Favored 'Trans proline' 0 CA--C 1.563 1.943 0 C-N-CA 123.414 2.743 . . . . 72.34 112.375 167.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.51 -23.36 57.68 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 121.887 1.725 . . . . 73.54 111.71 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -56.47 -53.69 54.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.696 1.598 . . . . 75.53 111.381 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -71.57 -22.38 61.75 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.17 -0.923 . . . . 74.21 112.29 -175.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -60.43 -41.01 93.12 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.554 0.342 . . . . 73.04 110.231 173.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.27 -37.25 80.51 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.772 -0.649 . . . . 62.11 110.924 174.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' PHE . . . . . 0.495 ' CZ ' HD21 ' B' ' 103' ' ' LEU . 61.1 t80 -60.1 -40.71 90.6 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.382 0.673 . . . . 74.52 110.666 175.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 72.5 m -73.7 -2.3 22.68 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.943 0.897 . . . . 75.55 112.655 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -76.93 82.78 3.47 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 121.875 0.845 . . . . 65.33 109.489 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.528 HG12 HD13 ' B' ' 91' ' ' LEU . 16.1 m -132.96 161.76 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.992 1.317 . . . . 74.23 109.439 -178.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -85.71 171.54 11.53 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.117 -1.068 . . . . 64.12 108.117 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . 0.418 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 22.8 tp60 -60.64 -49.96 87.44 Favored Pre-proline 0 CA--C 1.568 1.666 0 CA-C-O 118.362 -0.828 . . . . 75.32 112.604 -176.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' PRO . . . . . 0.418 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 48.6 Cg_exo -59.15 -41.74 57.41 Favored 'Trans proline' 0 C--N 1.388 2.645 0 C-N-CA 121.934 1.756 . . . . 61.43 112.671 173.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 11.6 m -64.17 -30.39 71.45 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.969 0.908 . . . . 70.11 111.473 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.87 -45.59 85.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.096 0.958 . . . . 72.43 109.087 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.467 ' HE1' ' HE1' ' A' ' 89' ' ' PHE . 39.2 m-85 -68.9 -30.22 68.66 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.478 -0.783 . . . . 74.14 111.417 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.65 -35.43 74.4 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.917 0.487 . . . . 74.54 111.417 175.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.528 HD13 HG12 ' B' ' 83' ' ' VAL . 84.0 mt -67.64 -39.3 84.64 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.35 0.66 . . . . 64.15 110.535 175.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . 0.403 HD11 ' HD1' ' B' ' 89' ' ' PHE . 59.3 mt -65.51 -42.79 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.565 0.746 . . . . 72.31 110.287 176.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 108' ' ' CYS . 95.3 mt -66.12 -43.21 87.79 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.151 0.981 . . . . 75.53 110.667 -178.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.62 -37.78 70.86 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.695 0.798 . . . . 73.33 111.318 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' ALA . . . . . 0.489 ' HB3' HD11 ' B' ' 103' ' ' LEU . . . -72.1 -32.23 66.79 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.907 0.483 . . . . 74.14 111.518 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -75.88 -38.33 57.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.147 0.579 . . . . 71.0 109.925 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' TYR . . . . . 0.515 ' HH ' HD13 ' B' ' 43' ' ' LEU . 55.5 t80 -65.71 -47.52 75.08 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.082 0.953 . . . . 75.13 111.111 179.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.42 HD23 HD11 ' B' ' 27' ' ' ILE . 99.2 mt -88.62 -7.99 55.43 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.922 0.889 . . . . 73.51 111.608 -177.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 36.8 t0 61.66 34.57 17.5 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.833 1.253 . . . . 74.24 111.055 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.628 HD11 ' SG ' ' B' ' 58' ' ' CYS . 37.1 mt -87.69 80.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.412 0 N-CA-C 108.06 -1.089 . . . . 73.42 108.06 174.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.55 -37.15 38.25 Favored Pre-proline 0 CA--C 1.553 1.062 0 CA-C-N 114.129 -1.396 . . . . 72.11 113.414 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -46.71 -42.93 23.97 Favored 'Trans proline' 0 C--N 1.397 3.095 0 C-N-CA 121.948 1.766 . . . . 75.01 113.133 169.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . 0.495 HD21 ' CZ ' ' B' ' 80' ' ' PHE . 2.2 tm? -79.41 -43.87 22.53 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.672 0.389 . . . . 71.15 109.998 -179.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 60.9 tp -55.19 -44.77 75.58 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.172 0.989 . . . . 73.13 111.19 -177.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -70.59 -42.93 70.38 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.024 0.828 . . . . 63.04 110.904 -175.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.74 -42.21 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 123.081 0.552 . . . . 74.51 110.595 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.8 m -71.55 -30.52 65.98 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.59 0.756 . . . . 75.14 110.981 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.6 m -70.25 -32.51 70.38 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.369 0.668 . . . . 65.3 110.506 173.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -72.47 -32.69 66.45 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.739 0.415 . . . . 72.31 110.336 173.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.1 m -60.75 -46.4 90.58 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.017 0.527 . . . . 75.35 110.797 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.43 ' HA ' ' HE1' ' B' ' 114' ' ' MET . 27.4 m -73.27 -36.57 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 116.231 -0.44 . . . . 51.13 111.401 177.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 116' ' ' ARG . . . -63.02 -43.53 98.46 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.444 0.698 . . . . 74.22 111.56 -177.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.14 -36.16 80.96 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.613 0.765 . . . . 75.24 111.687 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' MET . . . . . 0.43 ' HE1' ' HA ' ' B' ' 111' ' ' VAL . 58.8 mtm -77.52 -23.54 50.18 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.031 0.533 . . . . 74.12 111.935 -176.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.6 pt -98.3 -1.05 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.805 0.442 . . . . 74.31 112.106 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' B' ' 112' ' ' ALA . 65.8 mtp180 . . . . . 0 N--CA 1.482 1.127 0 C-N-CA 122.652 0.381 . . . . 73.32 110.454 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 121.186 0.517 . . . . 74.35 110.773 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 58.2 mt -81.98 118.8 23.26 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.677 0.791 . . . . 75.51 110.353 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.4 m -79.14 128.07 38.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 121.434 0.635 . . . . 74.0 109.295 169.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.548 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 90.1 mttt -86.66 106.13 17.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.087 -0.96 . . . . 73.24 109.284 -173.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -109.05 95.73 5.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.611 -0.514 . . . . 72.12 109.611 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -70.88 138.17 49.96 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.385 -0.598 . . . . 73.14 109.385 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 p -82.15 -178.28 6.96 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.161 0.584 . . . . 73.41 110.697 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -63.68 -26.05 68.49 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.594 0.758 . . . . 53.24 111.05 170.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 32.5 t70 -89.82 12.66 16.55 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.352 1.061 . . . . 70.43 110.742 176.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 70.04 2.15 3.8 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.441 1.496 . . . . 74.51 113.735 170.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -72.9 122.31 21.43 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.706 0.402 . . . . 72.53 110.041 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.2 t -75.97 109.5 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 O-C-N 124.096 0.872 . . . . 74.53 109.541 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -103.32 91.55 4.12 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.73 0.812 . . . . 71.14 109.351 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.548 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 40.7 mt-10 -75.59 116.58 16.46 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.11 -0.95 . . . . 74.4 109.631 175.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 55' ' ' LEU . 18.3 tt -136.39 153.76 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 108.743 -0.836 . . . . 75.42 108.743 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.562 ' HB2' HG13 ' A' ' 20' ' ' ILE . 53.5 mt-10 -55.05 138.01 45.07 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.905 0.482 . . . . 70.33 111.023 -177.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -57.68 -39.76 77.87 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.97 0.908 . . . . 74.44 110.963 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.46 -28.0 69.37 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.081 0.952 . . . . 74.15 112.343 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.562 HG13 ' HB2' ' A' ' 17' ' ' GLU . 53.1 mt -76.47 -43.84 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 123.08 0.552 . . . . 74.34 110.131 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.68 -17.55 55.99 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.571 0.748 . . . . 64.2 112.785 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.8 m -71.06 -23.86 62.22 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.828 0.851 . . . . 75.23 112.498 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.7 mtm -68.72 -31.21 70.11 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.157 0.583 . . . . 64.45 110.66 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.0 t -74.41 114.49 12.86 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.062 -1.088 . . . . 75.24 108.062 169.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.44 -41.49 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.013 0.525 . . . . 73.22 110.538 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 m -63.61 -52.51 60.57 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.314 0.645 . . . . 74.24 111.846 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.472 HG13 HD22 ' A' ' 98' ' ' LEU . 75.3 mt -64.03 -42.28 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 122.602 0.361 . . . . 75.13 110.22 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 24.2 ttpp -55.76 -52.51 63.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.929 0.891 . . . . 75.43 110.924 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -60.06 -36.57 77.62 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.89 0.876 . . . . 75.34 111.288 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.0 mtt -63.0 -47.32 83.6 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.392 0.433 . . . . 74.31 110.499 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.4 mt -61.33 -33.86 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.74 0.816 . . . . 74.45 110.142 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 44.9 mt-10 -71.26 -45.04 64.09 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.333 0.653 . . . . 75.4 111.76 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.03 -42.34 80.75 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 122.782 0.433 . . . . 73.41 111.57 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -73.23 -29.88 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.888 0.875 . . . . 73.0 110.361 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.57 165.92 40.7 Favored Glycine 0 C--O 1.246 0.859 0 N-CA-C 110.503 -1.039 . . . . 61.23 110.503 -169.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.88 97.68 0.06 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.36 0.664 . . . . 72.53 109.915 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.0 m -127.89 136.44 51.39 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 124.014 0.926 . . . . 72.43 109.526 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -78.22 -4.73 49.21 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.672 0.389 . . . . 62.32 110.629 171.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.0 m -49.07 126.0 14.32 Favored Pre-proline 0 C--N 1.356 0.886 0 C-N-CA 124.955 1.302 . . . . 72.41 111.566 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.449 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 37.6 Cg_endo -63.11 129.28 25.23 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.691 2.26 . . . . 72.3 111.947 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.0 mm -105.56 102.75 39.66 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 109.204 -0.665 . . . . 75.33 109.204 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.85 146.43 47.85 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.355 2.037 . . . . 63.31 110.913 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.404 HD12 HD23 ' A' ' 98' ' ' LEU . 87.6 mt -118.37 92.95 44.42 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 107.93 -1.137 . . . . 74.02 107.93 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -81.45 63.28 8.56 Favored 'Trans proline' 0 C--N 1.382 2.315 0 C-N-CA 123.29 2.66 . . . . 72.33 112.567 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -160.61 -50.21 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.366 -0.834 . . . . 73.33 109.161 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.15 125.46 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.089 0 CA-C-N 115.473 -0.785 . . . . 65.35 110.41 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 p -79.3 174.84 11.16 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.907 0.883 . . . . 71.45 111.152 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.476 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 73.9 p -66.05 -47.25 74.97 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.466 0.543 . . . . 72.32 112.466 -172.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.8 p -60.74 -37.01 80.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.784 0.833 . . . . 75.2 111.512 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.619 HG21 HD21 ' A' ' 91' ' ' LEU . 43.9 mm -80.62 -46.74 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.755 -0.657 . . . . 71.53 110.147 -176.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.25 -28.72 69.92 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.723 0.809 . . . . 75.33 111.052 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -53.04 -54.07 40.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.45 1.1 . . . . 73.23 110.024 171.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -76.98 -32.79 57.49 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.372 -0.831 . . . . 73.31 111.939 -176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.463 HG11 HD13 ' A' ' 98' ' ' LEU . 51.4 t -60.44 -53.1 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 109.447 -0.575 . . . . 74.44 109.447 177.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.562 ' HB3' HD11 ' A' ' 16' ' ' ILE . 68.1 mt -74.57 -29.84 61.5 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.22 -0.9 . . . . 74.31 112.171 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.41 -34.06 65.29 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 118.214 0.461 . . . . 74.14 110.795 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -63.77 -42.0 97.86 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.506 -0.553 . . . . 73.5 109.506 170.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 91.3 m -66.56 -31.49 72.23 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 115.253 -0.885 . . . . 74.41 111.178 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 72.8 mtt180 -62.92 -50.52 70.52 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 109.355 -0.609 . . . . 75.11 109.355 171.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -57.92 -44.75 87.06 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.943 0.897 . . . . 73.41 111.314 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -67.5 -35.65 79.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.185 0.994 . . . . 75.23 111.026 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -82.58 -47.21 12.37 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.094 0.557 . . . . 73.23 111.804 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -77.69 -29.4 51.38 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.416 0.686 . . . . 72.41 111.198 -175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -125.31 99.62 33.53 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 107.752 -1.203 . . . . 74.35 107.752 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.95 100.0 0.08 OUTLIER 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.887 2.391 . . . . 71.3 112.231 -177.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.78 -100.99 0.15 Allowed Glycine 0 C--N 1.343 0.933 0 CA-C-N 115.705 -0.68 . . . . 72.1 111.576 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.73 2.9 86.68 Favored Glycine 0 C--N 1.349 1.288 0 O-C-N 123.532 0.195 . . . . 73.22 112.709 -172.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.8 m -153.2 159.59 42.68 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.205 1.402 . . . . 74.41 108.794 -175.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.74 141.42 8.41 Favored Glycine 0 C--N 1.339 0.719 0 N-CA-C 111.262 -0.735 . . . . 74.34 111.262 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.9 mt -79.71 -74.65 0.29 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.734 0.813 . . . . 74.4 108.923 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -111.78 0.26 16.17 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.543 0.687 . . . . 64.11 109.493 173.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -104.64 91.46 3.87 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.564 1.146 . . . . 75.53 109.31 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.0 mp -90.73 108.48 27.8 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 108.747 -0.834 . . . . 75.4 108.747 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.94 147.51 30.64 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.539 2.159 . . . . 71.32 111.28 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.58 -50.44 13.81 Favored 'Trans proline' 0 C--N 1.385 2.472 0 C-N-CA 123.562 2.842 . . . . 73.22 113.109 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -54.54 -54.1 45.7 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.493 0.496 . . . . 72.34 111.326 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.97 -31.89 73.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.953 0.901 . . . . 61.35 111.48 -170.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -75.59 -45.38 37.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.322 -0.399 . . . . 71.11 110.709 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.69 -23.27 66.1 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.463 0.705 . . . . 74.34 111.769 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -67.4 -42.5 83.2 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.328 1.051 . . . . 75.53 109.857 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 65.8 m -76.59 -15.04 59.94 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.772 -1.104 . . . . 75.2 111.981 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -76.25 79.88 3.03 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.371 -0.603 . . . . 73.32 109.371 175.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.1 m -132.02 160.07 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.817 1.247 . . . . 75.42 108.55 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.08 156.07 40.04 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.176 -0.675 . . . . 71.43 109.176 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -59.48 -46.85 98.83 Favored Pre-proline 0 CA--C 1.567 1.625 0 CA-C-O 118.341 -0.838 . . . . 74.53 113.036 -171.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.65 -47.41 27.38 Favored 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 121.996 1.797 . . . . 74.14 113.381 169.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.2 m -61.62 -30.78 70.92 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.932 0.893 . . . . 72.02 111.64 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 tt -70.13 -43.94 69.94 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.28 1.032 . . . . 75.04 108.935 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.481 ' HE2' ' HE2' ' B' ' 89' ' ' PHE . 19.2 m-85 -63.37 -33.16 74.93 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.789 -0.641 . . . . 73.11 111.174 176.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.47 -36.87 85.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.683 0.793 . . . . 73.45 111.856 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.619 HD21 HG21 ' A' ' 50' ' ' ILE . 95.0 mt -67.14 -36.1 81.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.031 0.532 . . . . 73.4 110.539 175.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.36 -43.75 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.3 0.64 . . . . 75.44 109.898 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.27 -47.95 83.82 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.04 0.936 . . . . 70.11 111.131 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.95 -36.43 80.09 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.872 0.869 . . . . 53.45 111.876 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.35 -32.55 66.57 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.373 0.669 . . . . 74.01 111.559 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -78.73 -36.65 42.95 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.701 0.8 . . . . 71.24 110.261 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.92 -39.08 92.97 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.17 0.988 . . . . 75.21 110.827 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.472 HD22 HG13 ' A' ' 27' ' ' ILE . 76.8 mt -96.23 -8.16 33.68 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.297 0.639 . . . . 74.43 111.693 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t70 57.07 34.54 25.06 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.119 1.368 . . . . 74.3 111.527 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.0 mt -78.77 103.38 5.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.832 -1.173 . . . . 63.52 107.832 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -58.98 -49.62 92.36 Favored Pre-proline 0 CA--C 1.562 1.419 0 CA-C-O 117.906 -1.045 . . . . 74.54 112.723 -175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.91 -48.55 16.0 Favored 'Trans proline' 0 C--N 1.401 3.331 0 C-N-CA 121.836 1.69 . . . . 73.03 112.672 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.0 -47.08 84.64 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.838 0.455 . . . . 73.21 111.364 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.577 HD21 HD21 ' B' ' 104' ' ' LEU . 48.0 tp -63.18 -42.74 99.41 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.785 0.678 . . . . 74.11 110.511 -177.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.6 -48.76 65.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.798 -0.637 . . . . 54.44 110.535 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.21 -45.66 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.339 0.655 . . . . 73.42 111.185 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.7 m -67.79 -35.89 79.48 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 123.147 0.579 . . . . 75.11 111.425 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 75.1 m -72.69 -30.19 64.03 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.089 0.555 . . . . 73.03 110.961 175.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.8 -31.21 59.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.022 0.529 . . . . 74.21 110.584 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.9 m -57.81 -53.32 59.55 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.289 0.636 . . . . 75.32 110.643 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.9 m -65.01 -35.01 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 115.759 -0.655 . . . . 75.21 110.955 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.15 96.53 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.284 0.634 . . . . 71.44 111.539 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -70.29 -37.08 74.75 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.722 0.409 . . . . 75.13 110.866 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 71.0 mtm -70.17 -40.66 74.58 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 111.934 0.346 . . . . 73.41 111.934 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 30.7 pt -79.31 -27.09 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 122.549 0.34 . . . . 75.35 111.838 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -92.17 -18.38 23.58 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.179 0.591 . . . . 74.42 111.664 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 CA-C-O 119.109 -0.829 . . . . 72.22 111.306 -178.377 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.978 0.418 . . . . 63.44 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 mt -81.58 118.89 23.13 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.549 -0.75 . . . . 72.54 110.126 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 24.3 m -79.08 128.43 38.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 109.448 -0.575 . . . . 74.33 109.448 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.54 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 90.5 mttt -86.87 106.6 17.86 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.998 0.919 . . . . 71.12 109.095 -173.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.0 mt -109.52 95.38 5.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.953 0.501 . . . . 72.3 109.714 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -70.67 138.58 50.79 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.311 -0.625 . . . . 75.43 109.311 174.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.6 p -82.3 -177.88 6.82 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.343 0.657 . . . . 74.3 110.424 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.6 m -63.99 -27.42 69.11 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.569 0.748 . . . . 54.54 110.443 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . 0.47 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 34.3 t70 -88.97 15.08 9.12 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.137 0.975 . . . . 74.52 110.959 175.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 68.11 3.15 3.49 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.169 1.388 . . . . 74.53 113.802 169.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -74.2 122.95 23.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.069 0.547 . . . . 74.44 109.869 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 43.7 t -77.13 109.22 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 O-C-N 124.33 1.019 . . . . 65.23 109.646 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -102.86 91.06 3.99 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.58 0.752 . . . . 73.34 109.378 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.54 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 38.8 mt-10 -74.86 115.78 14.84 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.172 -0.922 . . . . 75.11 109.529 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.561 HD11 ' HB3' ' B' ' 55' ' ' LEU . 18.2 tt -135.65 153.29 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 123.658 0.783 . . . . 73.24 108.901 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.577 ' HB2' HG13 ' B' ' 20' ' ' ILE . 56.4 mt-10 -55.19 137.34 47.31 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.068 0.547 . . . . 74.42 110.992 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -57.77 -39.29 77.11 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.052 0.941 . . . . 73.45 110.951 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.28 -29.36 70.45 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.007 -0.997 . . . . 72.14 112.196 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.577 HG13 ' HB2' ' B' ' 17' ' ' GLU . 52.9 mt -75.3 -43.72 43.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 123.017 0.527 . . . . 75.34 110.172 175.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.83 -17.54 56.69 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.72 0.808 . . . . 62.34 112.696 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 66.1 m -71.14 -23.39 62.07 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.757 0.823 . . . . 73.21 112.465 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 53.7 mtm -69.15 -30.45 68.7 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 122.979 0.512 . . . . 71.34 110.732 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -75.2 114.38 13.64 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.086 -1.079 . . . . 74.01 108.086 169.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.97 -41.86 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 123.573 0.546 . . . . 75.04 110.477 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 54.9 m -63.18 -52.65 61.5 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.348 0.659 . . . . 70.35 112.037 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.476 HG13 HD22 ' B' ' 98' ' ' LEU . 75.5 mt -64.11 -42.17 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.648 0.379 . . . . 74.54 110.118 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' B' ' 32' ' ' GLU . 24.2 ttpp -55.83 -51.84 66.08 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.016 0.926 . . . . 74.14 110.738 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -60.53 -36.64 78.9 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.955 0.902 . . . . 71.22 111.291 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 66.9 mtt -63.36 -47.23 82.99 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.612 0.57 . . . . 72.22 110.372 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 79.7 mt -61.67 -33.84 59.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.651 0.781 . . . . 75.32 110.265 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 43.8 mt-10 -70.85 -45.87 63.72 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.197 0.599 . . . . 74.12 111.482 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.11 -44.54 84.04 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.98 0.512 . . . . 71.21 111.582 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -72.79 -28.7 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.99 0.916 . . . . 74.13 110.604 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.1 166.86 40.89 Favored Glycine 0 C--O 1.244 0.771 0 N-CA-C 110.742 -0.943 . . . . 74.23 110.742 -170.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.63 97.02 0.09 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.116 0.567 . . . . 75.22 109.563 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 36.4 m -127.28 137.73 52.91 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.101 -0.954 . . . . 71.41 109.221 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -80.38 -3.02 48.03 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.962 0.505 . . . . 75.12 110.296 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -50.27 126.16 20.81 Favored Pre-proline 0 C--N 1.358 0.949 0 C-N-CA 124.977 1.311 . . . . 52.01 111.609 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.443 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 37.0 Cg_endo -63.3 127.91 21.28 Favored 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.749 2.299 . . . . 62.13 112.44 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 42.3 mm -104.34 103.1 37.15 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 109.334 -0.617 . . . . 75.51 109.334 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -72.53 144.68 40.73 Favored 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.382 2.055 . . . . 74.44 111.148 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.402 HD12 HD23 ' B' ' 98' ' ' LEU . 86.4 mt -116.77 92.42 38.15 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 108.012 -1.107 . . . . 73.4 108.012 178.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.39 61.22 8.01 Favored 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 123.379 2.719 . . . . 72.34 112.737 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -158.85 -48.91 0.06 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.84 0.856 . . . . 73.21 109.035 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.29 125.98 44.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 CA-C-N 115.957 -0.565 . . . . 73.33 110.218 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.2 p -79.56 174.64 11.37 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.732 0.813 . . . . 74.13 111.282 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 63.8 p -65.74 -47.89 73.74 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.042 0.537 . . . . 73.31 112.42 -171.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 47.2 p -60.43 -36.79 79.03 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.839 0.856 . . . . 65.44 111.588 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.616 HG21 HD21 ' B' ' 91' ' ' LEU . 43.5 mm -80.68 -46.99 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 115.667 -0.697 . . . . 74.15 110.169 -177.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.5 tp -64.25 -28.67 69.89 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.847 0.859 . . . . 73.21 111.023 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -52.89 -54.13 39.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.382 1.073 . . . . 73.33 110.049 171.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -77.02 -32.53 57.16 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.359 -0.837 . . . . 75.32 111.958 -176.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.454 HG11 HD13 ' B' ' 98' ' ' LEU . 51.2 t -60.7 -53.17 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 109.418 -0.586 . . . . 73.22 109.418 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.561 ' HB3' HD11 ' B' ' 16' ' ' ILE . 68.8 mt -74.54 -29.52 61.41 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.265 -0.88 . . . . 73.14 111.977 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.81 -34.34 64.56 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 118.145 0.43 . . . . 75.23 110.852 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -63.34 -41.86 98.89 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.452 -0.573 . . . . 75.02 109.452 170.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 88.9 m -66.89 -31.22 71.66 Favored 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 115.271 -0.877 . . . . 72.41 111.243 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 74.8 mtt180 -63.05 -50.7 69.62 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.182 0.593 . . . . 73.34 109.484 171.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -58.11 -44.6 87.8 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.195 -0.911 . . . . 54.13 111.241 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -67.64 -36.11 80.15 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.356 1.062 . . . . 73.22 111.083 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -81.97 -47.31 12.84 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.025 -0.534 . . . . 75.44 111.557 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -77.56 -28.05 51.68 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.479 0.712 . . . . 74.55 111.276 -175.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -126.3 100.32 29.64 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 107.721 -1.215 . . . . 74.1 107.721 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -57.39 96.83 0.07 OUTLIER 'Trans proline' 0 C--N 1.379 2.156 0 C-N-CA 122.947 2.431 . . . . 74.41 112.531 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.83 -102.46 0.16 Allowed Glycine 0 C--N 1.34 0.762 0 N-CA-C 111.066 -0.813 . . . . 62.41 111.066 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.2 1.86 81.71 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-N 116.791 0.295 . . . . 73.31 113.001 -172.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.0 m -153.1 157.99 41.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.115 1.366 . . . . 53.1 108.791 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -151.13 141.43 8.63 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 111.311 -0.716 . . . . 61.43 111.311 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 81.7 mt -79.49 -72.73 0.38 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.751 0.821 . . . . 75.41 109.301 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -113.73 -0.28 14.31 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.593 0.757 . . . . 75.2 109.553 172.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -103.44 91.38 4.03 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.483 1.113 . . . . 73.01 108.865 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.1 mp -90.91 109.94 38.45 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 108.375 -0.972 . . . . 75.23 108.375 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.06 148.87 28.06 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.526 2.151 . . . . 65.11 111.511 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -54.57 -49.86 15.37 Favored 'Trans proline' 0 C--N 1.385 2.475 0 C-N-CA 123.28 2.653 . . . . 72.32 113.161 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -54.97 -55.24 32.99 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.717 0.636 . . . . 74.52 111.323 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.09 -32.17 72.69 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.122 0.889 . . . . 70.45 111.622 -170.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -75.63 -45.2 38.71 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.361 -0.381 . . . . 70.2 110.526 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.46 -23.11 66.22 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.412 0.685 . . . . 73.24 111.66 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -67.45 -42.99 82.19 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.308 1.043 . . . . 74.13 109.852 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 65.3 m -76.06 -14.63 60.2 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 114.739 -1.119 . . . . 63.52 111.829 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -76.38 78.9 3.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.203 0.601 . . . . 75.12 109.981 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 19.5 m -132.43 159.37 43.18 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 C-N-CA 124.594 1.158 . . . . 72.44 108.527 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.78 156.15 39.88 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.968 -0.752 . . . . 72.04 108.968 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -60.16 -47.24 97.28 Favored Pre-proline 0 CA--C 1.568 1.648 0 N-CA-C 113.337 0.866 . . . . 73.32 113.337 -171.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -53.95 -45.89 37.7 Favored 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 122.076 1.851 . . . . 73.04 112.925 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.6 m -62.1 -31.23 71.66 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.099 0.96 . . . . 63.12 111.476 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.28 -43.54 70.24 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.327 1.051 . . . . 75.33 108.963 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.481 ' HE2' ' HE2' ' A' ' 89' ' ' PHE . 18.4 m-85 -63.43 -33.76 76.27 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.925 -0.579 . . . . 70.01 110.982 175.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.82 -36.54 84.65 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.548 0.739 . . . . 74.41 111.517 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.616 HD21 HG21 ' B' ' 50' ' ' ILE . 94.7 mt -66.79 -36.56 82.68 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.194 0.597 . . . . 73.41 110.688 174.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.09 -43.8 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.241 0.617 . . . . 72.12 109.983 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.69 -47.33 86.73 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.014 0.926 . . . . 73.33 110.954 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.38 79.51 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.978 0.911 . . . . 73.53 111.814 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.59 -33.08 66.49 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.336 0.654 . . . . 63.14 111.574 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -78.2 -36.05 47.82 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.781 0.833 . . . . 61.44 110.397 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -65.16 -39.67 93.28 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.107 0.963 . . . . 72.51 110.72 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.476 HD22 HG13 ' B' ' 27' ' ' ILE . 76.1 mt -95.76 -7.75 36.32 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.162 0.585 . . . . 74.3 111.751 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 24.0 t70 56.68 34.92 25.37 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 125.042 1.337 . . . . 73.14 111.418 175.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.8 mt -79.47 103.26 6.22 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 107.778 -1.193 . . . . 74.4 107.778 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -59.26 -49.31 93.42 Favored Pre-proline 0 CA--C 1.559 1.322 0 CA-C-O 117.966 -1.016 . . . . 74.54 112.612 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.95 -48.54 15.99 Favored 'Trans proline' 0 C--N 1.401 3.31 0 C-N-CA 121.868 1.712 . . . . 73.12 112.66 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.25 -47.29 83.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.896 0.478 . . . . 75.11 111.277 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.577 HD21 HD21 ' A' ' 104' ' ' LEU . 47.0 tp -62.96 -42.27 99.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.759 -0.655 . . . . 71.41 110.57 -177.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.83 -49.24 63.32 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.801 -0.636 . . . . 71.22 110.555 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 56.4 t -59.05 -45.64 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.309 0.643 . . . . 74.43 111.191 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 30.3 m -67.72 -35.89 79.6 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.05 0.54 . . . . 74.31 111.444 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 73.1 m -72.48 -30.72 64.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.95 0.5 . . . . 73.32 110.821 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -75.58 -30.89 59.77 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.034 0.534 . . . . 74.23 110.604 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 94.1 m -57.6 -53.41 58.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.234 0.614 . . . . 75.54 110.497 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 16.5 m -65.21 -35.44 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 115.569 -0.741 . . . . 73.02 111.108 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.34 96.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.522 0.729 . . . . 72.1 111.557 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -69.78 -37.81 76.48 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.78 0.432 . . . . 72.23 110.884 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.78 -40.95 75.72 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.378 0.424 . . . . 71.0 111.697 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.2 pt -78.5 -29.31 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 C-N-CA 122.717 0.407 . . . . 74.32 112.092 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -90.94 -17.64 26.05 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.359 0.663 . . . . 74.55 111.552 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.964 0 CA-C-O 119.282 -0.732 . . . . 54.32 111.358 -178.555 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 120.814 0.34 . . . . 73.33 110.715 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.3 mt -94.54 125.78 39.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.801 0.84 . . . . 73.43 110.435 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m -81.25 126.12 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 109.615 -0.513 . . . . 73.22 109.615 171.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.58 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 92.6 mttt -86.49 100.92 12.71 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.915 0.886 . . . . 74.0 109.232 -176.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.8 mt -110.14 98.53 7.77 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.835 0.854 . . . . 74.4 109.655 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.514 ' HB2' ' HA ' ' A' ' 42' ' ' PRO . 8.8 mp0 -75.5 150.6 38.15 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.011 0.434 . . . . 74.44 109.936 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.4 p -93.96 -178.69 4.73 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.315 -0.857 . . . . 65.24 110.682 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.6 t -63.5 -25.87 68.45 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.088 -0.96 . . . . 72.12 110.224 168.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.608 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 37.0 t70 -92.37 10.7 28.79 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.567 1.147 . . . . 74.3 110.74 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 74.03 -1.11 3.16 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 124.821 1.248 . . . . 53.4 113.048 166.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.509 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 92.5 mttt -70.44 123.98 23.08 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.871 -0.518 . . . . 73.14 110.681 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.9 t -75.14 107.2 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 124.396 1.078 . . . . 74.05 110.183 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -99.29 92.5 5.46 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.631 0.729 . . . . 75.12 110.026 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.58 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 32.9 mt-10 -82.61 94.5 7.54 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.572 -1.194 . . . . 71.32 109.349 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 55' ' ' LEU . 12.9 tt -111.49 155.32 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.56 0.744 . . . . 74.32 109.544 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -56.83 129.14 40.09 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.739 0.816 . . . . 75.15 109.481 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.03 -38.01 78.27 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.941 0.896 . . . . 73.2 111.794 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.32 -32.92 68.94 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.968 0.907 . . . . 73.5 112.016 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.525 HD12 ' HA ' ' A' ' 59' ' ' ARG . 50.2 mt -80.72 -39.86 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.775 0.83 . . . . 64.32 110.296 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HB3' HG22 ' A' ' 27' ' ' ILE . . . -65.61 -20.89 66.49 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.318 0.647 . . . . 74.54 111.837 176.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -69.71 -23.89 63.49 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.421 0.688 . . . . 74.12 112.221 174.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.6 mtm -69.32 -31.65 70.26 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.716 0.293 . . . . 71.51 110.462 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -66.97 112.62 4.43 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.262 -1.014 . . . . 65.44 108.262 164.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 63.2 t -60.82 -33.86 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 O-C-N 123.706 0.629 . . . . 64.04 110.631 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.0 m -67.48 -51.24 53.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.053 0.541 . . . . 73.44 111.599 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.442 HG22 ' HB3' ' A' ' 21' ' ' ALA . 74.8 mt -65.5 -43.19 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 122.846 0.458 . . . . 73.05 109.997 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -57.66 -50.79 72.02 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.919 0.887 . . . . 75.35 110.749 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.26 -28.92 70.36 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.602 0.761 . . . . 73.21 111.594 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.1 mtt -68.49 -45.34 72.61 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.391 0.276 . . . . 63.01 110.666 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.0 -35.64 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 122.985 0.514 . . . . 72.13 110.237 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -77.35 -45.23 26.77 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 122.997 0.519 . . . . 71.52 112.212 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.02 -46.43 18.18 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.368 0.667 . . . . 71.32 111.875 -171.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -74.52 -34.96 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 121.472 0.653 . . . . 74.45 109.496 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.98 178.84 21.49 Favored Glycine 0 C--O 1.246 0.883 0 CA-C-N 115.113 -0.949 . . . . 73.54 111.44 -177.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.81 89.71 0.16 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.275 0.63 . . . . 75.11 109.824 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 m -94.08 115.0 27.26 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.209 -0.905 . . . . 74.25 109.474 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.38 -19.77 57.82 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.402 0.681 . . . . 64.44 110.623 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 m -65.25 144.02 98.92 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.54 0.736 . . . . 73.44 110.455 173.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -73.94 149.48 42.12 Favored 'Trans proline' 0 C--N 1.372 1.778 0 C-N-CA 122.579 2.186 . . . . 72.02 111.521 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.29 102.66 34.33 Favored Pre-proline 0 CA--C 1.553 1.068 0 N-CA-C 109.192 -0.67 . . . . 74.34 109.192 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.514 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 95.5 Cg_endo -84.66 111.17 1.46 Allowed 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.506 2.137 . . . . 75.15 112.371 174.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -87.08 101.79 2.53 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 123.819 0.848 . . . . 71.44 108.919 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -84.37 11.86 3.22 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 123.031 2.487 . . . . 74.2 113.352 -174.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -99.57 -57.44 2.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.647 0.779 . . . . 71.31 110.825 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.9 131.0 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 122.892 0.477 . . . . 64.54 110.641 -175.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.9 p -72.1 167.88 19.32 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.917 0.887 . . . . 71.53 111.819 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.608 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 72.3 p -68.5 -47.53 66.75 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.125 0.57 . . . . 74.3 112.355 -173.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.4 p -56.37 -47.28 79.2 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.249 0.968 . . . . 74.44 111.008 -178.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.481 HG21 HD21 ' A' ' 91' ' ' LEU . 47.1 mm -75.49 -43.47 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.073 -0.967 . . . . 74.3 110.766 -174.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.4 tp -62.1 -41.19 97.96 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.493 0.496 . . . . 74.13 110.788 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.58 -47.14 86.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.455 0.702 . . . . 72.22 110.455 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.485 ' HE2' HG11 ' A' ' 83' ' ' VAL . 29.7 mtpp -60.56 -51.64 68.56 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 114.67 -1.15 . . . . 73.53 111.198 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.2 t -66.32 -35.62 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 123.165 0.586 . . . . 75.35 111.208 -174.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.619 ' HB3' HD11 ' A' ' 16' ' ' ILE . 53.2 mt -70.5 -40.04 73.77 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.102 0.561 . . . . 74.12 111.167 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -73.34 -32.34 64.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.742 0.417 . . . . 74.53 110.278 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.493 ' HH ' HG23 ' A' ' 106' ' ' VAL . 42.8 t80 -60.92 -51.57 68.71 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.178 -0.675 . . . . 72.3 109.178 171.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.629 ' SG ' HD11 ' A' ' 100' ' ' ILE . 94.4 m -59.22 -31.57 69.17 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 114.877 -1.056 . . . . 55.3 111.032 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.525 ' HA ' HD12 ' A' ' 20' ' ' ILE . 14.2 ttp180 -61.51 -48.52 80.68 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 122.428 0.291 . . . . 75.05 110.638 174.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -63.02 -40.35 97.48 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.76 0.424 . . . . 70.33 111.091 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -70.57 -24.8 62.84 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.832 0.853 . . . . 74.0 111.485 -178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -80.57 -38.53 29.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.907 0.483 . . . . 73.25 110.033 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 13.0 mm100 -71.17 -30.34 66.32 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.773 0.671 . . . . 71.14 110.878 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -127.3 84.43 63.43 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 108.231 -1.026 . . . . 73.41 108.231 174.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.27 95.48 0.32 Allowed 'Trans proline' 0 C--N 1.381 2.274 0 C-N-CA 123.076 2.517 . . . . 75.5 111.746 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.61 157.91 30.5 Favored Glycine 0 C--N 1.336 0.567 0 CA-C-N 115.651 -0.704 . . . . 72.32 111.663 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.3 -110.95 0.24 Allowed Glycine 0 C--N 1.336 0.539 0 N-CA-C 110.659 -0.977 . . . . 72.21 110.659 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.6 m 61.85 8.97 2.69 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.571 1.148 . . . . 71.33 113.582 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.05 41.62 85.6 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.333 0.395 . . . . 53.43 112.975 -172.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.66 144.41 57.24 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.023 0.529 . . . . 73.4 110.094 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -73.42 78.38 1.39 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 121.988 0.899 . . . . 73.23 110.094 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -146.27 -62.43 0.31 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 114.347 -1.297 . . . . 75.13 108.388 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.4 mp 47.75 87.9 0.11 Allowed Pre-proline 0 CA--C 1.561 1.404 0 C-N-CA 125.131 1.372 . . . . 73.02 110.11 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.89 146.24 87.38 Favored 'Trans proline' 0 C--N 1.373 1.867 0 C-N-CA 122.786 2.324 . . . . 71.45 112.246 -173.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -46.05 -37.5 17.72 Favored 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 124.198 3.265 . . . . 71.15 114.834 -176.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -57.79 -56.46 21.71 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.565 0.541 . . . . 74.02 110.574 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.11 -27.01 62.35 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.472 1.109 . . . . 73.34 110.536 -171.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -68.61 -51.38 43.02 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.187 -0.915 . . . . 72.02 109.988 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -76.25 -22.91 54.59 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.448 0.699 . . . . 70.34 111.678 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.434 ' HE2' HD21 ' A' ' 103' ' ' LEU . 57.5 t80 -60.53 -48.53 81.38 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.877 0.871 . . . . 71.53 110.564 175.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 83.6 m -75.44 -11.12 59.97 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.851 -1.068 . . . . 75.21 111.657 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -77.75 83.24 4.11 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 109.212 -0.662 . . . . 74.5 109.212 172.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.485 HG11 ' HE2' ' A' ' 53' ' ' LYS . 17.2 m -131.74 173.56 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.446 1.098 . . . . 72.21 109.096 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.23 159.95 19.62 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.31 0.644 . . . . 72.24 109.678 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 59.7 tp60 -60.27 -49.9 88.44 Favored Pre-proline 0 CA--C 1.567 1.618 0 CA-C-O 118.444 -0.788 . . . . 75.4 112.616 -172.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 46.8 Cg_exo -60.65 -33.66 93.11 Favored 'Trans proline' 0 C--N 1.386 2.543 0 C-N-CA 121.837 1.691 . . . . 74.41 113.134 171.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 m -67.92 -30.34 69.64 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.789 0.835 . . . . 74.52 111.427 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 65.1 mt -57.89 -47.43 82.79 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.642 0.777 . . . . 73.11 110.38 170.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -67.9 -30.16 69.44 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.298 -0.865 . . . . 74.44 111.237 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' HB3' HG13 ' A' ' 50' ' ' ILE . 23.2 mm-40 -64.05 -40.74 96.96 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.123 0.569 . . . . 73.42 111.172 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 50' ' ' ILE . 95.4 mt -66.05 -35.85 81.65 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.292 0.637 . . . . 75.53 110.488 176.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.97 -40.93 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.827 0.851 . . . . 74.2 110.384 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.0 mt -64.43 -45.66 86.55 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.64 0.776 . . . . 75.12 110.608 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.42 77.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.787 0.835 . . . . 75.13 111.764 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.473 ' HB1' HD13 ' A' ' 103' ' ' LEU . . . -70.01 -37.64 75.72 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.202 0.601 . . . . 73.22 111.496 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.44 -35.54 68.32 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.395 0.678 . . . . 73.12 110.189 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -70.25 -39.7 74.86 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.975 0.91 . . . . 74.03 111.57 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.8 mt -99.0 -2.44 37.31 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.428 0.691 . . . . 75.52 111.636 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.404 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 23.3 t0 54.81 40.49 31.98 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.414 1.486 . . . . 73.32 111.758 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.629 HD11 ' SG ' ' A' ' 58' ' ' CYS . 38.1 mt -86.86 86.46 2.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 108.152 -1.055 . . . . 71.31 108.152 173.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -60.59 -38.82 60.99 Favored Pre-proline 0 CA--C 1.559 1.296 0 CA-C-N 114.645 -1.161 . . . . 74.44 112.324 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -47.49 -56.12 3.35 Favored 'Trans proline' 0 C--N 1.4 3.283 0 C-N-CA 122.55 2.166 . . . . 72.13 114.165 170.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.473 HD13 ' HB1' ' A' ' 95' ' ' ALA . 2.5 tm? -67.94 -41.55 82.37 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.513 0.508 . . . . 72.02 109.871 -176.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.9 tp -58.98 -44.43 91.58 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.078 0.862 . . . . 70.22 110.723 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.83 -43.57 75.26 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.724 0.809 . . . . 74.1 110.973 -175.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.493 HG23 ' HH ' ' A' ' 57' ' ' TYR . 78.4 t -69.99 -36.33 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 123.102 0.561 . . . . 72.33 111.283 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.2 m -70.13 -37.86 75.39 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 109.97 -0.382 . . . . 61.25 109.97 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.0 m -68.72 -30.13 68.71 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.437 0.695 . . . . 75.02 110.816 175.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.11 -48.31 62.87 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.484 -0.562 . . . . 74.24 109.484 174.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.7 m -58.33 -51.81 68.24 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.634 0.774 . . . . 73.32 111.574 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.563 ' HA ' ' HE1' ' A' ' 114' ' ' MET . 35.5 m -64.64 -33.79 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 123.448 0.468 . . . . 74.55 110.835 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.73 -39.04 84.3 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.553 0.533 . . . . 75.25 110.659 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -70.05 -26.21 63.91 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.963 0.505 . . . . 74.03 111.533 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.563 ' HE1' ' HA ' ' A' ' 111' ' ' VAL . 42.0 mtm -74.61 -49.33 22.02 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 110.025 -0.361 . . . . 73.41 110.025 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' B' ' 86' ' ' PRO . 16.6 pt -78.0 -30.44 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.174 0.59 . . . . 75.4 111.909 -174.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -88.89 -14.11 37.56 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.507 0.723 . . . . 74.04 110.721 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.278 0 CA-C-O 119.244 -0.754 . . . . 72.4 113.182 179.418 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.714 0.292 . . . . 74.13 111.011 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 82.3 mt -94.81 124.28 38.76 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.949 0.9 . . . . 75.3 110.474 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m -79.65 125.71 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 109.653 -0.499 . . . . 73.31 109.653 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.573 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 92.4 mttt -86.23 101.0 12.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.86 0.864 . . . . 73.13 109.111 -176.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.3 mt -110.11 98.53 7.78 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.738 0.815 . . . . 75.51 109.485 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.497 ' HB2' ' HA ' ' B' ' 42' ' ' PRO . 7.9 mp0 -75.5 149.72 38.36 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.0 0.429 . . . . 75.03 109.969 179.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.1 p -92.8 -179.0 5.01 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.43 -0.804 . . . . 74.55 110.746 175.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -61.65 -28.36 69.33 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.09 -0.959 . . . . 73.03 110.115 168.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . 0.598 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 35.5 t70 -91.33 10.28 28.06 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.462 1.105 . . . . 75.53 110.733 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 75.42 -1.26 3.07 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.896 1.278 . . . . 73.34 113.105 166.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.512 ' HD2' ' HB2' ' B' ' 48' ' ' SER . 93.4 mttt -70.5 124.22 23.68 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.852 -0.53 . . . . 74.23 110.575 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.04 109.33 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 124.059 0.944 . . . . 75.11 109.945 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -100.71 92.29 5.02 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.733 0.778 . . . . 71.2 110.009 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.573 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.9 mt-10 -82.53 93.32 7.26 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.43 -1.259 . . . . 74.53 109.602 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' B' ' 55' ' ' LEU . 12.4 tt -110.97 155.68 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.631 0.772 . . . . 72.02 109.442 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -57.44 129.03 40.0 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 123.722 0.809 . . . . 73.51 109.333 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.7 -37.76 76.81 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 124.257 0.973 . . . . 73.51 111.865 -174.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.75 -32.14 68.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.261 1.024 . . . . 74.22 112.074 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' B' ' 59' ' ' ARG . 50.0 mt -81.11 -39.73 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.858 0.863 . . . . 71.45 110.3 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.438 ' HB3' HG22 ' B' ' 27' ' ' ILE . . . -65.75 -21.07 66.49 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.722 -0.672 . . . . 75.05 111.909 176.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 73.3 m -69.74 -24.53 63.56 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.493 0.717 . . . . 72.14 111.931 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 15.1 mtm -68.46 -32.0 71.7 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 122.505 0.322 . . . . 71.04 110.523 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 69.7 m -67.15 112.23 4.34 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.111 -1.07 . . . . 73.42 108.111 165.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 67.6 t -60.49 -33.66 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 123.788 0.68 . . . . 72.43 110.53 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 94.3 m -67.75 -51.53 48.0 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.031 0.532 . . . . 74.45 111.685 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.438 HG22 ' HB3' ' B' ' 21' ' ' ALA . 75.2 mt -65.18 -42.73 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.918 0.487 . . . . 73.54 110.118 -178.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -58.08 -50.5 73.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.944 0.898 . . . . 74.33 110.713 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.75 -28.48 69.91 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.642 0.777 . . . . 74.22 111.651 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.1 mtt -68.84 -45.75 70.32 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.489 0.316 . . . . 72.1 110.641 174.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.32 -35.8 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 122.933 0.493 . . . . 73.15 110.442 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -77.1 -46.42 23.64 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.271 0.628 . . . . 73.45 111.944 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -78.31 -46.27 20.55 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.09 0.556 . . . . 71.11 111.729 -170.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -74.53 -34.71 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.334 0.654 . . . . 75.13 109.713 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.9 177.79 21.06 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-N 115.38 -0.827 . . . . 54.33 111.071 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -67.12 89.83 0.19 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.405 0.682 . . . . 74.01 109.499 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 27.1 m -93.66 114.17 26.43 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.214 -0.903 . . . . 75.51 109.648 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -76.55 -18.58 58.61 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.35 0.66 . . . . 74.04 110.609 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.5 m -66.89 144.36 98.5 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 123.634 0.774 . . . . 72.32 109.972 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -74.18 149.96 41.69 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.626 2.218 . . . . 71.33 111.644 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -104.55 102.74 35.88 Favored Pre-proline 0 CA--C 1.553 1.073 0 N-CA-C 109.132 -0.692 . . . . 73.13 109.132 -175.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . 0.497 ' HA ' ' HB2' ' B' ' 7' ' ' GLU . 94.0 Cg_endo -85.1 109.07 1.19 Allowed 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.478 2.119 . . . . 73.44 112.565 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -84.89 102.53 2.36 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 123.615 0.766 . . . . 73.03 109.026 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -84.9 11.52 3.35 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.93 2.42 . . . . 62.33 113.471 -174.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -98.72 -60.22 1.58 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.674 0.79 . . . . 73.51 110.675 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.27 131.04 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 122.821 0.448 . . . . 74.12 110.781 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 38.4 p -72.66 168.21 19.17 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.0 0.92 . . . . 72.22 111.858 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.598 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.7 p -69.46 -47.28 64.45 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.399 0.518 . . . . 73.54 112.399 -172.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 55.5 p -56.98 -46.54 82.15 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.097 0.873 . . . . 74.01 110.704 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.488 HG21 HD21 ' B' ' 91' ' ' LEU . 46.2 mm -75.62 -43.85 40.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.101 -0.954 . . . . 75.34 110.754 -174.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 38.5 tp -62.02 -41.33 97.98 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.548 0.53 . . . . 74.4 110.704 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.57 -46.84 88.17 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.591 0.756 . . . . 75.31 110.349 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.457 ' HE2' HG11 ' B' ' 83' ' ' VAL . 29.1 mtpp -60.86 -51.34 69.7 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.645 -1.161 . . . . 75.14 111.335 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.0 t -66.59 -35.52 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.19 0.596 . . . . 71.3 111.098 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.619 ' HB3' HD11 ' B' ' 16' ' ' ILE . 55.1 mt -70.21 -40.14 74.73 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.01 0.524 . . . . 74.44 111.393 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.75 -31.38 63.31 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.897 0.479 . . . . 71.33 110.486 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . 0.494 ' HH ' HG23 ' B' ' 106' ' ' VAL . 43.0 t80 -61.48 -52.11 65.89 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.136 -0.69 . . . . 75.3 109.136 170.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.641 ' SG ' HD11 ' B' ' 100' ' ' ILE . 89.5 m -58.74 -31.54 68.4 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 114.865 -1.061 . . . . 74.23 111.109 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.534 ' HA ' HD12 ' B' ' 20' ' ' ILE . 14.2 ttp180 -61.65 -48.48 80.65 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.444 0.298 . . . . 74.4 110.807 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -63.1 -40.3 97.24 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.678 0.391 . . . . 44.01 111.014 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -71.06 -24.97 62.44 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.816 0.846 . . . . 71.13 111.389 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -79.83 -39.12 31.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.74 0.416 . . . . 73.41 109.903 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 13.5 mm100 -70.38 -32.97 70.87 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.01 0.819 . . . . 74.43 110.519 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -124.34 85.03 55.86 Favored Pre-proline 0 N--CA 1.474 0.74 0 N-CA-C 108.307 -0.998 . . . . 72.22 108.307 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.85 95.73 0.36 Allowed 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.919 2.413 . . . . 65.51 111.816 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.11 159.68 33.12 Favored Glycine 0 CA--C 1.522 0.512 0 CA-C-N 115.696 -0.684 . . . . 71.24 111.751 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.39 -109.23 0.22 Allowed Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.868 -0.893 . . . . 70.22 110.868 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 52.6 m 60.23 9.15 1.79 Allowed 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 125.034 1.333 . . . . 65.23 113.332 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.2 41.26 86.06 Favored Glycine 0 C--N 1.353 1.522 0 CA-C-O 119.988 -0.34 . . . . 54.35 112.915 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.65 143.59 57.71 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.956 0.503 . . . . 74.24 110.347 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.09 79.31 0.94 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-O 121.926 0.869 . . . . 73.04 109.91 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -146.08 -63.38 0.32 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.35 -1.296 . . . . 74.55 107.821 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.4 mp 48.88 87.7 0.12 Allowed Pre-proline 0 CA--C 1.558 1.25 0 C-N-CA 125.133 1.373 . . . . 65.41 110.231 -177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -58.24 146.05 90.54 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.717 2.278 . . . . 73.44 112.381 -173.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -47.37 -35.5 21.22 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 124.178 3.252 . . . . 64.22 114.661 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -58.59 -57.03 14.75 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.408 0.442 . . . . 74.13 110.508 174.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.97 -26.45 62.26 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.651 1.18 . . . . 72.34 110.506 -171.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -69.1 -52.05 32.36 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.186 -0.916 . . . . 63.11 109.723 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -75.21 -23.25 57.59 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.303 0.641 . . . . 74.43 111.618 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.441 ' HE2' HD21 ' B' ' 103' ' ' LEU . 58.4 t80 -60.27 -48.33 82.18 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.903 0.881 . . . . 74.21 110.698 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 86.3 m -75.82 -11.4 59.97 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.851 -1.068 . . . . 61.42 111.799 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -78.02 83.5 4.32 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 108.895 -0.78 . . . . 73.54 108.895 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.457 HG11 ' HE2' ' B' ' 53' ' ' LYS . 17.0 m -131.51 174.81 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.446 1.098 . . . . 72.54 109.138 176.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.3 159.29 24.21 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.349 0.66 . . . . 74.34 109.592 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.441 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 60.9 tp60 -60.0 -49.41 91.29 Favored Pre-proline 0 CA--C 1.566 1.58 0 CA-C-O 118.558 -0.734 . . . . 72.01 112.626 -172.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . 0.51 ' HA ' HD13 ' A' ' 115' ' ' ILE . 51.8 Cg_exo -60.3 -33.7 94.29 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 121.936 1.758 . . . . 73.12 113.698 171.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.4 m -68.07 -30.37 69.56 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.733 0.813 . . . . 74.32 111.427 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.404 HD11 HG11 ' B' ' 111' ' ' VAL . 67.3 mt -58.03 -47.61 82.56 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.526 0.73 . . . . 75.12 110.262 171.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -67.27 -29.89 69.62 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.178 -0.919 . . . . 71.43 111.544 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.44 ' HB3' HG13 ' B' ' 50' ' ' ILE . 16.3 mm-40 -63.84 -41.25 97.86 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.042 0.537 . . . . 73.42 111.209 174.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.488 HD21 HG21 ' B' ' 50' ' ' ILE . 95.0 mt -66.02 -35.78 81.49 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.832 -0.622 . . . . 74.35 110.216 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 81.2 mt -67.07 -40.97 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 123.723 0.809 . . . . 63.25 110.524 175.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.31 -46.19 84.65 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.612 0.765 . . . . 71.3 110.673 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.04 -35.42 78.24 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.71 0.804 . . . . 73.44 111.728 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.473 ' HB1' HD13 ' B' ' 103' ' ' LEU . . . -70.16 -37.32 75.17 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.231 0.613 . . . . 64.31 111.601 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.73 -35.95 67.65 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.496 0.719 . . . . 61.53 110.163 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -70.0 -39.83 75.65 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.021 0.928 . . . . 73.21 111.548 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 94.0 mt -98.87 -2.92 36.53 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.398 0.679 . . . . 74.23 111.523 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 22.8 t0 55.07 40.89 32.07 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.457 1.503 . . . . 75.53 111.742 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.641 HD11 ' SG ' ' B' ' 58' ' ' CYS . 37.5 mt -87.06 86.79 2.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.104 -1.073 . . . . 73.22 108.104 173.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -60.5 -38.77 60.93 Favored Pre-proline 0 CA--C 1.56 1.345 0 CA-C-N 114.581 -1.19 . . . . 71.32 112.447 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -47.34 -56.38 3.11 Favored 'Trans proline' 0 C--N 1.401 3.332 0 C-N-CA 122.655 2.236 . . . . 61.31 114.152 170.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.473 HD13 ' HB1' ' B' ' 95' ' ' ALA . 2.5 tm? -67.93 -41.58 82.34 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.036 -0.529 . . . . 73.22 109.781 -176.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 45.2 tp -58.89 -44.21 91.11 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.086 0.866 . . . . 73.12 110.744 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -69.16 -43.84 73.48 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.747 0.819 . . . . 71.13 110.808 -175.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.494 HG23 ' HH ' ' B' ' 57' ' ' TYR . 76.3 t -69.73 -36.01 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.053 0.541 . . . . 75.32 111.429 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.5 m -70.52 -37.83 74.17 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.67 0.388 . . . . 64.1 109.999 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.57 -30.16 68.87 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.436 0.694 . . . . 75.31 110.853 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.56 -47.92 62.04 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.603 -0.517 . . . . 74.14 109.603 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 89.9 m -58.36 -51.56 69.29 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.838 0.711 . . . . 74.33 111.728 -177.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.56 ' HA ' ' HE1' ' B' ' 114' ' ' MET . 35.1 m -64.77 -33.5 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 123.514 0.509 . . . . 74.13 110.942 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.33 86.57 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 123.646 0.591 . . . . 74.43 110.609 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -69.28 -25.7 64.38 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.266 0.626 . . . . 71.52 111.855 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.56 ' HE1' ' HA ' ' B' ' 111' ' ' VAL . 41.3 mtm -75.26 -48.77 21.73 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.53 0.332 . . . . 72.1 110.302 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 19.0 pt -77.87 -31.83 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 116.013 -0.54 . . . . 73.52 111.729 -174.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -88.17 -15.58 35.67 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.41 0.684 . . . . 73.54 110.941 177.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.185 0 CA-C-O 119.05 -0.861 . . . . 71.44 113.218 -177.788 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 121.023 0.44 . . . . 73.02 110.756 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.3 mt -102.3 141.64 34.8 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.621 0.768 . . . . 73.24 109.025 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 m -107.99 138.11 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.951 0.901 . . . . 74.41 108.947 172.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.561 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 58.4 mttp -93.84 118.48 31.5 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.998 0.919 . . . . 75.13 110.101 -175.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -118.11 103.42 9.86 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.542 -0.91 . . . . 73.23 108.542 174.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.523 ' HG3' HG21 ' A' ' 13' ' ' VAL . 3.1 mp0 -70.74 143.65 51.2 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.08 -0.711 . . . . 74.23 109.08 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.7 p -88.77 174.05 8.21 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.159 -0.682 . . . . 74.25 109.159 171.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -62.22 -23.36 66.6 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.431 0.693 . . . . 75.11 110.33 170.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 23.0 t70 -86.61 6.47 30.77 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 125.081 1.352 . . . . 74.05 111.35 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 73.03 5.74 5.21 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.102 1.361 . . . . 74.3 113.668 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -84.25 123.82 30.54 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.52 0.328 . . . . 73.34 110.163 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.523 HG21 ' HG3' ' A' ' 7' ' ' GLU . 59.4 t -81.7 116.84 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.321 1.048 . . . . 75.4 109.627 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -106.01 101.49 10.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.551 0.741 . . . . 75.51 110.167 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.561 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 35.8 mt-10 -90.13 93.89 9.56 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.146 -0.933 . . . . 73.12 109.39 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.658 HD13 ' HB3' ' A' ' 55' ' ' LEU . 8.4 tt -99.22 156.97 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.652 0.781 . . . . 74.12 109.044 177.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.92 132.56 54.34 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.477 0.711 . . . . 74.41 109.63 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -61.11 -32.61 72.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.506 1.122 . . . . 74.11 111.983 -172.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.07 -34.58 77.96 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.131 0.572 . . . . 74.4 111.641 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.489 HD11 ' HA ' ' A' ' 59' ' ' ARG . 33.6 mt -81.08 -29.93 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.444 0.698 . . . . 71.32 110.322 -177.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -20.71 65.65 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.464 0.706 . . . . 72.51 111.877 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.9 m -69.15 -23.34 63.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.793 0.837 . . . . 73.33 112.172 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.665 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 84.0 mtp -66.13 -33.85 76.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.187 0.595 . . . . 65.3 111.142 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.548 ' HA ' HG12 ' A' ' 100' ' ' ILE . 35.6 t -73.87 111.6 9.18 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.638 -1.245 . . . . 61.35 107.638 168.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.91 -43.64 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 123.727 0.642 . . . . 74.41 110.768 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.3 m -61.63 -52.08 65.85 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.278 0.631 . . . . 75.3 112.1 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.15 -45.1 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.877 0.471 . . . . 75.31 110.101 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -56.22 -53.31 58.66 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.163 0.985 . . . . 74.31 110.806 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.05 -38.62 83.35 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.949 0.78 . . . . 74.15 111.245 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.7 mtm -68.58 -39.61 80.9 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.509 0.505 . . . . 73.55 111.31 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.83 -41.74 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.632 -0.507 . . . . 74.21 109.632 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -72.07 -32.22 66.85 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.935 0.894 . . . . 72.04 111.656 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.94 -37.28 78.79 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.236 1.014 . . . . 73.13 110.32 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -80.36 -28.17 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 CA-C-N 115.24 -0.891 . . . . 70.53 109.964 174.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 -63.09 0.37 Allowed Glycine 0 C--N 1.343 0.935 0 N-CA-C 109.822 -1.311 . . . . 71.23 109.822 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -163.79 99.08 0.88 Allowed 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 107.543 -1.28 . . . . 74.23 107.543 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.1 t -79.64 103.67 9.71 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 122.77 0.428 . . . . 44.02 110.098 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -74.17 -27.77 60.98 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.593 0.757 . . . . 73.31 109.383 169.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.0 m -71.1 149.19 94.55 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-N 114.551 -1.204 . . . . 75.25 110.546 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.454 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 74.1 Cg_endo -70.76 144.81 49.68 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.657 2.238 . . . . 75.13 112.391 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.22 102.12 45.04 Favored Pre-proline 0 CA--C 1.55 0.971 0 N-CA-C 108.375 -0.972 . . . . 75.15 108.375 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.98 120.05 6.76 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.818 2.345 . . . . 74.3 111.161 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.491 HD13 HD23 ' A' ' 98' ' ' LEU . 67.5 mt -99.55 93.36 2.27 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 124.825 1.25 . . . . 75.24 109.141 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -83.83 -1.09 9.91 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.945 2.43 . . . . 64.2 114.373 -170.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -89.23 -40.11 13.07 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.016 0.436 . . . . 75.52 110.373 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.1 p -90.79 136.42 24.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 122.959 0.504 . . . . 73.23 110.269 -174.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.9 p -81.54 166.26 20.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.631 0.772 . . . . 71.53 110.218 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.555 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 63.7 p -66.83 -44.13 81.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.088 0.555 . . . . 74.31 112.133 -171.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.6 m -57.38 -40.9 79.16 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 124.243 0.964 . . . . 64.22 110.958 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.594 HG22 HD23 ' A' ' 91' ' ' LEU . 49.6 mm -78.22 -44.12 27.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.262 -0.881 . . . . 75.42 110.778 -176.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.14 -37.03 85.97 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.977 -0.379 . . . . 73.31 109.977 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.32 -54.88 41.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.509 1.123 . . . . 74.42 111.325 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.81 -31.23 51.6 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.881 -1.054 . . . . 74.33 111.72 -170.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.12 -44.75 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.553 0.741 . . . . 75.24 110.082 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.658 ' HB3' HD13 ' A' ' 16' ' ' ILE . 66.2 mt -65.31 -36.39 83.9 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 123.515 0.51 . . . . 72.41 110.901 177.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -75.37 -32.15 60.73 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.158 0.583 . . . . 73.41 111.585 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.593 ' HH ' HG21 ' A' ' 106' ' ' VAL . 56.6 t80 -64.37 -48.23 76.27 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.037 -0.727 . . . . 73.33 109.037 173.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 80.9 m -60.51 -33.88 73.29 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 115.127 -0.942 . . . . 64.24 110.569 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.489 ' HA ' HD11 ' A' ' 20' ' ' ILE . 40.1 ttm105 -58.44 -52.44 65.62 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 123.191 0.596 . . . . 74.34 110.586 175.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -61.23 -41.55 97.07 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.695 0.622 . . . . 61.32 111.359 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.5 ' HB3' ' HE1' ' A' ' 23' ' ' MET . 57.9 t-80 -73.11 -22.87 60.47 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.23 0.612 . . . . 74.53 110.627 -176.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.665 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 39.9 t60 -76.9 -45.4 28.17 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.793 0.837 . . . . 73.11 110.084 176.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -69.4 -37.0 77.3 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.175 0.99 . . . . 75.23 110.501 -178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -124.36 88.81 52.72 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 123.83 0.852 . . . . 75.31 109.011 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -63.16 -20.33 70.73 Favored 'Trans proline' 0 C--N 1.381 2.28 0 C-N-CA 123.473 2.782 . . . . 73.45 112.93 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.07 -4.2 58.61 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-N 116.093 -0.503 . . . . 45.25 113.195 175.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.87 78.16 0.39 Allowed Glycine 0 C--N 1.357 1.714 0 N-CA-C 112.228 -0.349 . . . . 65.33 112.228 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.4 m -84.71 -5.9 59.34 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.721 0.808 . . . . 75.54 111.665 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.34 -84.02 0.97 Allowed Glycine 0 C--N 1.347 1.153 0 N-CA-C 111.759 -0.536 . . . . 61.32 111.759 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 54.3 tp -76.85 86.04 3.42 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 123.448 0.699 . . . . 74.0 109.917 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.0 t70 172.09 -58.87 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.942 1.697 . . . . 73.43 107.021 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -128.41 109.63 11.59 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 113.496 -1.684 . . . . 71.31 106.715 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.3 mm -84.7 109.94 23.87 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 109.614 -0.513 . . . . 74.15 109.614 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.44 153.52 35.17 Favored 'Trans proline' 0 C--N 1.381 2.275 0 C-N-CA 123.008 2.472 . . . . 75.52 111.319 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -59.73 -61.21 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.287 0 C-N-CA 122.851 2.367 . . . . 64.35 113.082 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -60.43 -42.17 95.52 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.383 0.673 . . . . 74.33 111.144 -177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -28.7 67.54 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.69 0.796 . . . . 71.51 111.296 -173.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -70.85 -45.19 64.92 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.988 0.515 . . . . 73.33 109.614 173.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -69.42 -23.52 63.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 115.56 -0.746 . . . . 74.21 111.308 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.1 -41.12 95.25 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.231 1.012 . . . . 74.43 110.25 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.2 m -70.21 -24.36 63.09 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.486 -0.779 . . . . 74.45 110.978 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -76.77 86.16 3.38 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 123.151 0.58 . . . . 75.14 109.712 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.1 m -132.49 162.95 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.883 0.873 . . . . 74.24 110.381 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -69.25 161.04 30.07 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.965 0.906 . . . . 74.33 109.069 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -57.91 -48.48 97.05 Favored Pre-proline 0 CA--C 1.572 1.798 0 CA-C-O 118.299 -0.857 . . . . 74.24 112.799 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.99 -40.0 22.23 Favored 'Trans proline' 0 C--N 1.397 3.123 0 C-N-CA 121.67 1.58 . . . . 75.13 111.917 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.4 m -63.21 -29.85 71.11 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.682 1.193 . . . . 73.53 111.513 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.49 -45.06 76.97 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.058 0.943 . . . . 72.34 109.471 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' HD2' HD12 ' B' ' 115' ' ' ILE . 22.1 m-85 -70.98 -30.07 66.23 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.559 -0.746 . . . . 72.53 110.94 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.545 ' HB3' HG13 ' A' ' 50' ' ' ILE . 21.0 mm-40 -60.62 -38.84 86.08 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.442 0.697 . . . . 74.44 110.871 171.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.594 HD23 HG22 ' A' ' 50' ' ' ILE . 82.7 mt -64.62 -38.43 90.99 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.273 0.629 . . . . 74.13 110.995 175.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.433 HG22 ' SG ' ' B' ' 108' ' ' CYS . 39.2 mt -67.23 -41.33 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.169 0.588 . . . . 75.1 110.191 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.88 -39.59 94.56 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.692 0.797 . . . . 74.33 110.837 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.98 -35.27 62.06 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.517 0.727 . . . . 74.22 111.634 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.511 ' HB1' HD13 ' A' ' 103' ' ' LEU . . . -72.3 -29.19 63.62 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.272 0.629 . . . . 75.32 111.245 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -75.95 -49.35 17.98 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.003 0.921 . . . . 74.52 109.621 172.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.407 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 65.7 t80 -60.15 -41.07 91.96 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.478 1.111 . . . . 70.23 112.212 -176.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.491 HD23 HD13 ' A' ' 43' ' ' LEU . 88.3 mt -94.83 -12.33 27.19 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.859 0.864 . . . . 75.44 111.148 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 50.32 73.91 0.25 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.215 1.406 . . . . 75.5 111.231 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.548 HG12 ' HA ' ' A' ' 24' ' ' SER . 34.4 mt -119.32 108.61 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 108.224 -1.028 . . . . 72.11 108.224 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -58.41 -48.22 97.36 Favored Pre-proline 0 CA--C 1.565 1.537 0 CA-C-O 117.847 -1.073 . . . . 75.42 112.816 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -55.29 -45.2 42.03 Favored 'Trans proline' 0 C--N 1.402 3.363 0 C-N-CA 122.257 1.971 . . . . 72.4 113.379 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.511 HD13 ' HB1' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -65.72 -52.71 49.05 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.276 0.63 . . . . 74.52 109.326 -176.384 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.41 ' O ' ' SG ' ' A' ' 108' ' ' CYS . 44.0 tp -60.34 -48.15 83.0 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 124.421 1.076 . . . . 74.22 110.803 -174.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.85 -50.81 69.45 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.243 0.964 . . . . 64.34 110.973 -175.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.593 HG21 ' HH ' ' A' ' 57' ' ' TYR . 42.0 t -58.14 -43.93 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 123.46 0.704 . . . . 73.22 111.075 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.3 m -71.82 -31.73 66.83 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 123.411 0.684 . . . . 73.53 111.473 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.463 ' SG ' HG22 ' B' ' 92' ' ' ILE . 71.1 m -73.22 -31.63 64.27 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.513 0.725 . . . . 71.32 110.316 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.77 -31.28 61.73 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.384 0.674 . . . . 75.12 110.239 175.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 48.2 m -60.51 -52.41 65.29 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.967 0.507 . . . . 75.42 110.729 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.573 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 31.1 m -63.88 -33.62 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 122.837 0.455 . . . . 74.35 111.488 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.83 78.74 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.251 0.62 . . . . 75.1 110.965 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -72.99 -31.71 64.68 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.474 0.71 . . . . 70.13 111.205 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.573 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 50.9 mtm -66.1 -39.4 89.95 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.316 0.385 . . . . 75.14 110.795 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.444 HD12 ' HD2' ' B' ' 89' ' ' PHE . 50.7 pt -89.26 -7.73 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 116.156 -0.474 . . . . 75.34 111.993 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -83.94 86.54 7.16 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.812 -0.44 . . . . 75.34 109.812 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 CA-C-O 119.413 -0.66 . . . . 64.34 111.974 178.269 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.3 p . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.766 0.317 . . . . 72.24 110.407 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.9 mt -104.0 141.2 36.59 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.73 0.812 . . . . 73.21 109.146 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.7 m -107.33 137.5 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.842 0.857 . . . . 75.32 109.194 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.553 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 58.3 mttp -93.48 118.24 31.08 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.963 0.905 . . . . 73.51 110.141 -175.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.97 103.72 10.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.434 -0.95 . . . . 74.53 108.434 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.499 ' HG3' HG21 ' B' ' 13' ' ' VAL . 3.1 mp0 -71.09 144.42 50.32 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.143 -0.688 . . . . 71.42 109.143 173.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.5 p -89.75 174.52 7.67 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.105 -0.702 . . . . 73.23 109.105 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -62.4 -23.49 66.86 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.687 -0.688 . . . . 75.12 110.296 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . 0.543 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 23.9 t70 -85.79 4.87 35.03 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 125.261 1.425 . . . . 72.23 111.455 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 72.32 8.74 5.83 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.943 1.297 . . . . 75.44 113.466 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.19 123.78 31.85 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 110.054 -0.35 . . . . 73.1 110.054 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.499 HG21 ' HG3' ' B' ' 7' ' ' GLU . 61.5 t -81.42 117.2 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.194 0.997 . . . . 74.3 109.845 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.89 100.97 10.44 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.521 0.728 . . . . 74.15 110.12 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.553 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.6 mt-10 -89.75 94.1 9.71 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.178 -0.919 . . . . 71.42 109.154 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.666 HD13 ' HB3' ' B' ' 55' ' ' LEU . 8.3 tt -99.22 157.16 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 N-CA-C 108.966 -0.753 . . . . 74.3 108.966 177.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.17 132.85 55.22 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.348 0.659 . . . . 72.22 109.724 176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.92 -33.42 73.12 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.403 1.081 . . . . 74.55 111.662 -171.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.79 -35.5 80.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.337 0.655 . . . . 64.33 111.439 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' B' ' 59' ' ' ARG . 33.0 mt -80.77 -29.79 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 123.185 0.594 . . . . 72.12 110.181 -177.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.18 -20.65 65.6 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.469 0.708 . . . . 72.0 111.865 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 56.3 m -69.09 -24.08 64.09 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.667 0.787 . . . . 72.11 112.047 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' MET . . . . . 0.665 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 85.3 mtp -65.49 -34.0 77.25 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.134 0.574 . . . . 74.33 111.256 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.555 ' HA ' HG12 ' B' ' 100' ' ' ILE . 35.3 t -73.57 112.07 9.31 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 107.556 -1.275 . . . . 75.44 107.556 168.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.48 -43.78 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.749 0.655 . . . . 61.34 110.717 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 92.9 m -61.43 -52.38 64.82 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.235 0.614 . . . . 72.55 111.986 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 70.2 mt -61.0 -44.96 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.826 0.45 . . . . 74.24 110.135 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -56.29 -53.23 59.66 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.077 0.951 . . . . 74.52 110.59 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -59.68 -38.92 82.86 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 124.035 0.834 . . . . 61.44 111.197 -176.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 73.3 mtm -68.6 -40.23 80.54 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 123.744 0.652 . . . . 74.14 111.291 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.16 -42.22 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 109.671 -0.492 . . . . 74.23 109.671 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -72.18 -31.86 66.31 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.074 0.95 . . . . 64.33 111.627 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.57 -36.51 76.35 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.296 1.038 . . . . 74.21 110.433 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -80.91 -27.85 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 CA-C-N 115.006 -0.997 . . . . 74.54 109.751 173.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.9 -63.83 0.34 Allowed Glycine 0 C--N 1.343 0.946 0 N-CA-C 109.942 -1.263 . . . . 75.13 109.942 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -162.98 97.38 0.93 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.494 1.117 . . . . 61.52 108.087 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 34.4 t -77.88 103.67 7.96 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.881 0.472 . . . . 74.41 110.561 -177.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -74.5 -26.52 60.05 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.629 0.771 . . . . 60.44 109.662 170.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.9 m -72.49 148.58 90.62 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 124.592 1.157 . . . . 70.02 110.628 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.47 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 67.9 Cg_endo -69.99 144.11 51.78 Favored 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.775 2.317 . . . . 75.0 112.439 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mp -107.42 101.89 41.41 Favored Pre-proline 0 CA--C 1.552 1.037 0 N-CA-C 108.565 -0.902 . . . . 73.11 108.565 177.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.9 119.06 6.04 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.887 2.391 . . . . 73.22 111.268 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.494 HD13 HD23 ' B' ' 98' ' ' LEU . 69.3 mt -98.97 92.9 1.78 Allowed Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 124.732 1.213 . . . . 71.3 109.299 176.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -83.62 -1.27 10.07 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.947 2.431 . . . . 74.34 114.283 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -88.93 -39.21 13.92 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.505 0.322 . . . . 64.51 110.433 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 11.9 p -91.57 136.68 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.075 0.55 . . . . 65.44 110.371 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.0 p -81.46 166.01 20.72 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.472 0.709 . . . . 75.44 110.261 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.543 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.8 p -66.26 -44.06 84.7 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.016 0.526 . . . . 73.34 112.192 -172.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 35.5 m -56.55 -42.19 78.1 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.239 0.962 . . . . 75.4 111.105 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.596 HG22 HD23 ' B' ' 91' ' ' LEU . 49.7 mm -77.8 -43.94 28.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 114.968 -1.014 . . . . 75.03 110.74 -175.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 28.9 tp -64.42 -36.43 84.13 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 110.005 -0.369 . . . . 72.55 110.005 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.46 -54.37 47.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.285 1.034 . . . . 72.31 111.204 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -31.49 53.06 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.827 -1.079 . . . . 74.33 111.717 -170.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.28 -44.89 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.558 0.743 . . . . 64.43 110.174 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.666 ' HB3' HD13 ' B' ' 16' ' ' ILE . 69.7 mt -65.26 -36.31 83.73 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 122.879 0.472 . . . . 74.32 110.99 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -75.4 -32.26 60.71 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.042 0.537 . . . . 71.34 111.48 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . 0.599 ' HH ' HG21 ' B' ' 106' ' ' VAL . 55.0 t80 -64.07 -48.47 76.11 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 109.017 -0.734 . . . . 75.2 109.017 172.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 80.1 m -60.16 -33.94 72.88 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 115.058 -0.973 . . . . 74.44 110.632 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.487 ' HA ' HD11 ' B' ' 20' ' ' ILE . 40.5 ttm105 -58.38 -52.77 64.2 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 123.102 0.561 . . . . 74.03 110.65 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -61.5 -41.35 97.15 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.666 0.604 . . . . 75.4 111.259 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.486 ' HB3' ' HE1' ' B' ' 23' ' ' MET . 56.1 t-80 -72.64 -22.59 60.92 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.233 0.613 . . . . 74.23 110.835 -177.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . 0.665 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 42.4 t60 -77.74 -43.81 29.73 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.884 0.874 . . . . 74.11 110.087 176.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.68 -35.84 73.0 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.116 0.966 . . . . 65.34 110.796 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -125.88 89.5 52.26 Favored Pre-proline 0 C--O 1.24 0.582 0 C-N-CA 124.116 0.967 . . . . 72.4 108.938 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -62.61 -21.01 72.43 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 123.288 2.659 . . . . 74.41 112.848 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.91 -3.39 55.54 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 115.777 -0.647 . . . . 72.25 113.671 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.06 78.71 0.65 Allowed Glycine 0 C--N 1.355 1.587 0 N-CA-C 111.895 -0.482 . . . . 74.11 111.895 173.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.1 m -84.28 -5.98 59.33 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.661 0.784 . . . . 72.35 111.59 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.62 -83.85 1.11 Allowed Glycine 0 C--N 1.35 1.352 0 N-CA-C 111.722 -0.551 . . . . 63.42 111.722 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 53.5 tp -77.11 84.41 3.6 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.733 0.813 . . . . 75.35 109.836 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.3 t70 173.78 -57.09 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 126.085 1.754 . . . . 72.42 107.197 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -131.68 106.43 8.15 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 113.559 -1.655 . . . . 74.11 106.868 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.7 mm -83.23 108.96 14.54 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 123.505 0.722 . . . . 75.53 109.732 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.19 154.44 37.01 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.063 2.509 . . . . 62.42 111.444 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -61.29 -60.31 0.24 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.931 2.421 . . . . 64.15 112.931 -172.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.17 -42.2 94.47 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.507 0.723 . . . . 74.52 111.446 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -29.3 67.97 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.005 0.922 . . . . 73.24 111.242 -173.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -70.36 -45.29 66.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.076 0.551 . . . . 71.23 109.92 173.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.5 -23.33 63.61 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.447 -0.797 . . . . 70.4 111.381 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -65.13 -41.34 94.91 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.046 0.938 . . . . 74.32 110.201 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 59.3 m -69.98 -24.47 63.32 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.338 -0.846 . . . . 75.21 110.94 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -76.8 87.38 3.4 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 109.53 -0.544 . . . . 73.3 109.53 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 10.4 m -132.4 165.46 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.987 0.915 . . . . 65.41 110.421 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -71.21 161.41 31.14 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.957 0.903 . . . . 64.13 108.996 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -57.72 -48.63 96.87 Favored Pre-proline 0 CA--C 1.569 1.678 0 CA-C-O 118.405 -0.807 . . . . 73.31 112.642 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.73 -39.5 20.28 Favored 'Trans proline' 0 C--N 1.397 3.096 0 C-N-CA 121.521 1.481 . . . . 75.44 112.056 173.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 15.3 m -63.32 -29.88 71.11 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.667 1.187 . . . . 74.32 111.487 -177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tt -67.58 -45.0 76.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.129 0.972 . . . . 72.32 109.464 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.444 ' HD2' HD12 ' A' ' 115' ' ' ILE . 22.0 m-85 -70.95 -29.97 66.13 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.56 -0.745 . . . . 74.42 111.152 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.544 ' HB3' HG13 ' B' ' 50' ' ' ILE . 20.2 mm-40 -60.43 -39.08 86.2 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.597 0.759 . . . . 72.21 111.153 171.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.596 HD23 HG22 ' B' ' 50' ' ' ILE . 83.2 mt -64.54 -38.64 91.71 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.116 0.567 . . . . 73.23 110.931 175.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.463 HG22 ' SG ' ' A' ' 108' ' ' CYS . 39.7 mt -66.9 -41.16 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.167 0.587 . . . . 74.13 110.273 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.11 -39.46 94.09 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.62 0.768 . . . . 74.04 110.944 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.08 -35.48 61.8 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.555 0.742 . . . . 75.1 111.483 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' B' ' 103' ' ' LEU . . . -71.93 -29.25 64.09 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.344 0.658 . . . . 44.22 111.289 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -76.65 -48.16 19.9 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.12 0.968 . . . . 75.21 110.019 173.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -60.62 -41.67 95.32 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.477 1.111 . . . . 75.22 111.907 -176.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.494 HD23 HD13 ' B' ' 43' ' ' LEU . 88.6 mt -94.39 -12.65 27.47 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.651 0.78 . . . . 75.44 111.09 -178.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 33.5 t70 50.14 74.98 0.19 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.261 1.424 . . . . 71.34 111.179 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.555 HG12 ' HA ' ' B' ' 24' ' ' SER . 34.0 mt -120.11 108.17 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 108.063 -1.088 . . . . 75.1 108.063 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.01 -48.45 97.07 Favored Pre-proline 0 CA--C 1.566 1.577 0 CA-C-O 117.851 -1.071 . . . . 71.24 112.782 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -55.22 -44.84 45.25 Favored 'Trans proline' 0 C--N 1.401 3.29 0 C-N-CA 122.38 2.053 . . . . 75.3 113.519 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.498 HD13 ' HB1' ' B' ' 95' ' ' ALA . 0.3 OUTLIER -66.14 -52.26 50.03 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.306 0.642 . . . . 75.43 109.409 -176.545 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.407 ' O ' ' SG ' ' B' ' 108' ' ' CYS . 42.5 tp -60.58 -48.89 79.79 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.32 1.048 . . . . 75.14 110.81 -174.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.1 -50.68 70.97 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.355 1.034 . . . . 71.02 111.016 -175.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.599 HG21 ' HH ' ' B' ' 57' ' ' TYR . 42.6 t -58.21 -43.9 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.591 0.756 . . . . 73.24 111.247 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.8 m -71.99 -31.5 66.3 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.514 0.726 . . . . 73.22 111.451 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.433 ' SG ' HG22 ' A' ' 92' ' ' ILE . 71.3 m -73.46 -31.49 63.81 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.58 0.752 . . . . 71.25 110.314 176.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.13 -31.57 61.14 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.439 0.696 . . . . 75.35 110.136 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 51.2 m -60.06 -52.28 66.04 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.897 0.479 . . . . 72.24 110.867 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.538 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 31.6 m -64.12 -33.71 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.83 0.452 . . . . 74.23 111.435 178.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.33 77.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.264 0.626 . . . . 65.23 110.87 177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.91 -32.11 65.1 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.605 0.762 . . . . 73.13 111.361 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.538 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 46.9 mtm -66.01 -39.66 90.44 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.563 0.539 . . . . 73.31 110.67 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . 0.431 HD12 ' HD2' ' A' ' 89' ' ' PHE . 48.5 pt -88.92 -8.2 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 116.077 -0.51 . . . . 74.42 111.977 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -83.15 87.41 6.92 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.697 -0.483 . . . . 73.43 109.697 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 CA-C-O 119.305 -0.719 . . . . 71.2 111.823 178.369 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 120.596 0.236 . . . . 73.42 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt -82.22 117.75 22.58 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.023 0.529 . . . . 75.14 110.335 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 m -85.29 120.91 36.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 108.877 -0.786 . . . . 72.52 108.877 170.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.54 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 91.1 mttt -84.24 121.67 27.8 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.991 -1.004 . . . . 75.22 108.861 -176.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.9 mt -118.86 104.01 10.15 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.982 0.513 . . . . 72.55 109.74 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 42' ' ' PRO . 3.0 mp0 -72.74 143.97 47.79 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.136 -0.69 . . . . 75.24 109.136 169.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.4 p -92.15 -177.16 4.59 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 115.277 -0.874 . . . . 72.01 110.112 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.9 p -66.77 -26.08 66.8 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.087 0.555 . . . . 74.3 110.049 168.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -83.26 -4.47 58.46 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.606 1.162 . . . . 71.12 110.808 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 75.27 -1.16 3.12 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 125.816 1.646 . . . . 75.3 114.054 172.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -72.54 132.92 44.44 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.464 0.575 . . . . 75.33 109.68 173.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -84.33 138.81 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.648 1.179 . . . . 75.31 110.395 -174.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -130.33 101.46 5.77 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.803 0.841 . . . . 74.25 109.258 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.54 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 29.7 mt-10 -86.48 87.09 7.37 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.029 -0.987 . . . . 74.24 109.391 -175.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.615 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.7 tt -99.29 152.25 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.514 0.725 . . . . 71.32 109.483 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HB3' ' OE2' ' A' ' 19' ' ' GLU . 34.0 mp0 -60.19 135.35 57.7 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.856 0.863 . . . . 74.05 109.945 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.34 -43.22 95.31 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.262 0.625 . . . . 74.41 111.574 -173.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' OE2' ' HB3' ' A' ' 17' ' ' GLU . 2.8 pm0 -57.11 -30.01 64.02 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.873 0.869 . . . . 74.45 112.211 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 59' ' ' ARG . 36.8 mt -77.43 -42.02 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.466 0.706 . . . . 74.44 109.79 176.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.79 -2.39 17.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.992 0.917 . . . . 73.31 112.59 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.2 m -74.09 -23.45 59.33 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.503 0.721 . . . . 71.4 111.979 175.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.2 mtm -69.48 -25.01 63.86 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 120.719 0.295 . . . . 72.2 110.765 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 t -74.54 99.1 3.51 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.633 -1.247 . . . . 75.14 107.633 166.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.1 -35.32 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 123.57 0.544 . . . . 74.13 110.804 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.7 m -60.95 -53.17 60.51 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.369 0.668 . . . . 75.44 111.615 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.6 mt -66.6 -39.44 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 123.287 0.635 . . . . 75.45 109.985 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -57.37 -49.49 76.0 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.062 0.945 . . . . 74.44 110.593 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -64.58 -36.13 83.25 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.484 0.714 . . . . 74.31 111.113 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.97 -42.95 97.11 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.311 0.645 . . . . 74.54 110.92 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.49 -47.39 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 115.679 -0.692 . . . . 71.31 110.357 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.82 -37.31 81.57 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.25 1.02 . . . . 65.34 111.506 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.47 -45.07 92.69 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.211 1.004 . . . . 62.13 110.904 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.583 HD13 ' HG ' ' A' ' 37' ' ' SER . 62.9 mt -88.97 -11.85 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 114.843 -1.071 . . . . 63.12 110.744 -177.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.15 -76.53 0.45 Allowed Glycine 0 C--N 1.344 1.028 0 N-CA-C 109.92 -1.272 . . . . 35.53 109.92 -173.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -143.19 103.15 4.1 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.47 1.108 . . . . 74.43 108.837 171.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.583 ' HG ' HD13 ' A' ' 34' ' ' ILE . 49.2 m -68.2 101.87 1.25 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.892 0.877 . . . . 64.42 111.011 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -83.9 -32.08 25.33 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.647 0.779 . . . . 72.11 110.473 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.5 p -72.57 139.96 81.37 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.421 -0.809 . . . . 70.42 109.776 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.5 142.68 89.49 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.795 2.33 . . . . 74.41 113.124 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.41 105.94 36.26 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 108.616 -0.883 . . . . 73.21 108.616 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.426 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.1 Cg_exo -76.83 126.68 8.96 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.109 2.539 . . . . 74.31 110.969 174.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.7 mt -112.16 94.17 24.88 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 124.112 0.965 . . . . 73.44 110.274 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -83.09 69.57 7.03 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 123.269 2.646 . . . . 75.44 112.527 -177.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -166.75 -66.58 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.329 -0.85 . . . . 65.32 108.819 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.53 124.38 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.485 -0.779 . . . . 73.52 110.596 -176.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.1 p -71.29 167.46 19.41 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.512 0.725 . . . . 74.21 110.727 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.3 p -66.55 -38.68 87.63 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.006 0.522 . . . . 75.24 111.56 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.3 m -63.78 -47.58 80.38 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.623 0.769 . . . . 75.3 110.804 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.565 HG21 HD21 ' A' ' 91' ' ' LEU . 48.4 mm -71.33 -46.05 66.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 115.313 -0.858 . . . . 73.54 110.431 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.7 tp -59.73 -38.07 80.7 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.68 0.792 . . . . 74.23 110.604 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -58.58 -51.02 71.66 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.973 0.796 . . . . 75.14 110.078 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -65.52 -47.72 74.96 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 124.083 0.864 . . . . 73.35 112.056 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.6 t -61.39 -46.7 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.665 0.786 . . . . 73.53 110.54 -176.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.615 ' HB3' HD12 ' A' ' 16' ' ' ILE . 78.0 mt -65.8 -44.39 85.84 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.917 0.487 . . . . 74.11 110.946 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.45 -37.62 84.24 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.151 0.98 . . . . 72.21 111.079 -176.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.448 ' CD1' HD21 ' A' ' 103' ' ' LEU . 57.9 t80 -66.54 -46.36 76.39 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.589 -0.732 . . . . 73.45 109.932 174.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.56 ' SG ' HG21 ' A' ' 100' ' ' ILE . 93.1 m -60.33 -31.93 70.76 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.703 -0.68 . . . . 64.41 111.396 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.532 ' HA ' HD12 ' A' ' 20' ' ' ILE . 37.7 mtp180 -61.27 -44.16 97.69 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.784 -0.45 . . . . 75.41 109.784 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.79 -41.56 91.8 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.628 -0.715 . . . . 74.53 110.996 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -71.53 -20.55 62.03 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.146 0.578 . . . . 74.0 111.405 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.427 ' CG ' HG12 ' A' ' 20' ' ' ILE . 77.3 t60 -78.39 -41.09 34.17 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.989 -0.375 . . . . 72.42 109.989 174.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 12.3 mm100 -70.43 -27.76 64.52 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.715 -0.675 . . . . 73.44 110.317 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -126.79 81.1 69.73 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.036 0.934 . . . . 64.33 108.755 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.88 83.91 1.53 Allowed 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 122.648 2.232 . . . . 74.4 112.053 -175.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.65 -105.7 0.2 Allowed Glycine 0 C--N 1.34 0.772 0 CA-C-N 115.939 -0.573 . . . . 62.12 112.817 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.49 83.72 1.61 Allowed Glycine 0 C--N 1.346 1.137 0 N-CA-C 110.402 -1.079 . . . . 71.22 110.402 -170.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.6 m -84.41 -25.6 28.92 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.103 0.961 . . . . 72.42 112.677 -171.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.32 -52.39 3.77 Favored Glycine 0 C--N 1.342 0.889 0 N-CA-C 111.07 -0.812 . . . . 41.32 111.07 -170.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.2 1.58 24.08 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.097 0.959 . . . . 73.41 112.373 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -84.03 14.55 4.06 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.7 0.8 . . . . 75.14 112.0 -177.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.3 t70 84.31 -30.2 0.08 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.918 1.687 . . . . 74.52 111.647 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.428 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 39.9 mm 63.42 104.86 0.03 OUTLIER Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 124.926 1.29 . . . . 74.45 110.629 -178.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 73' ' ' ILE . 9.6 Cg_endo -52.46 140.73 53.39 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.096 2.531 . . . . 70.22 112.663 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -49.85 -35.84 41.1 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 123.688 2.926 . . . . 75.21 114.809 -175.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -58.28 -49.56 76.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.75 0.42 . . . . 74.22 111.37 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.71 -30.97 68.72 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.952 0.901 . . . . 74.2 111.192 -172.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -72.51 -50.18 27.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.192 0.997 . . . . 73.12 110.4 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.435 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 12.4 m-20 -77.64 -14.26 59.68 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.289 1.435 . . . . 71.05 112.481 -176.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.45 ' CE2' HD23 ' A' ' 103' ' ' LEU . 71.3 t80 -52.93 -35.94 59.14 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.31 0.644 . . . . 72.22 110.49 171.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.2 m -68.63 -18.16 64.25 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.776 1.23 . . . . 70.41 112.367 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 34.9 mmtp -74.61 79.99 1.99 Allowed 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.485 0.66 . . . . 75.02 110.253 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -138.84 162.68 28.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 C-N-CA 124.776 1.23 . . . . 73.31 108.751 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -64.28 157.7 25.31 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.719 0.808 . . . . 75.54 110.157 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -54.28 51.93 Favored Pre-proline 0 CA--C 1.571 1.767 0 C-N-CA 123.864 0.866 . . . . 72.4 112.004 -169.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.408 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 57.9 Cg_endo -69.19 -31.63 22.63 Favored 'Trans proline' 0 C--N 1.393 2.869 0 CA-C-N 121.1 1.429 . . . . 72.5 112.379 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.5 m -62.46 -31.07 71.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.449 1.1 . . . . 75.05 111.512 -178.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.55 -41.09 89.19 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.922 0.889 . . . . 63.02 109.688 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -72.45 -29.01 63.29 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.891 -0.595 . . . . 73.4 111.43 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 15.1 mm-40 -61.67 -36.49 81.02 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.662 0.385 . . . . 64.45 110.529 172.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.565 HD21 HG21 ' A' ' 50' ' ' ILE . 97.5 mt -65.36 -37.4 86.91 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.577 0.751 . . . . 72.15 111.153 174.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.3 mt -68.77 -43.91 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 123.301 0.64 . . . . 74.44 110.475 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.24 -38.21 90.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.567 0.747 . . . . 72.31 110.621 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.61 -41.73 68.55 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.638 0.775 . . . . 72.12 111.228 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.14 83.33 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.458 0.703 . . . . 53.44 111.277 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -78.62 -37.3 42.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.033 0.833 . . . . 74.21 110.458 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.4 -34.73 78.38 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.63 0.772 . . . . 72.54 111.121 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.7 mt -97.36 -13.3 21.96 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.68 0.792 . . . . 70.41 111.264 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 59.3 33.55 22.57 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.473 1.109 . . . . 74.43 111.768 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.56 HG21 ' SG ' ' A' ' 58' ' ' CYS . 31.6 mt -75.31 93.6 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.624 -0.88 . . . . 74.24 108.624 174.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -54.2 -49.96 87.31 Favored Pre-proline 0 CA--C 1.572 1.8 0 C-N-CA 124.345 1.058 . . . . 73.31 111.86 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.9 -50.91 10.13 Favored 'Trans proline' 0 C--N 1.399 3.193 0 C-N-CA 121.629 1.553 . . . . 63.11 113.323 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.45 HD23 ' CE2' ' A' ' 80' ' ' PHE . 2.3 tm? -68.13 -39.4 82.72 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.763 0.425 . . . . 73.22 110.263 -176.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.49 HD23 HD23 ' B' ' 104' ' ' LEU . 61.8 tp -57.83 -46.63 84.44 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.769 0.828 . . . . 74.41 110.572 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 109' ' ' LYS . 19.1 t70 -66.75 -51.69 52.99 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 124.218 0.948 . . . . 74.53 110.381 -174.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.3 t -55.99 -46.87 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 124.01 0.819 . . . . 73.42 111.307 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -70.96 -34.73 71.72 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.412 0.685 . . . . 75.2 111.954 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 91.6 m -72.28 -37.24 69.08 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.971 0.509 . . . . 72.14 110.694 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 105' ' ' ASP . 33.0 mmtp -68.37 -33.34 74.1 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.274 0.63 . . . . 73.44 109.786 177.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.0 m -58.62 -47.78 83.23 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 123.337 0.655 . . . . 74.34 111.11 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.51 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 15.5 t -64.81 -41.82 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 O-C-N 123.399 0.437 . . . . 62.31 110.312 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.84 73.0 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.953 -1.021 . . . . 74.35 111.319 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -81.07 -24.57 37.69 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.299 1.04 . . . . 70.12 111.818 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.51 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 47.0 mtm -71.85 -50.28 30.9 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.483 -0.562 . . . . 74.51 109.483 176.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.4 pt -77.48 -30.7 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 115.679 -0.691 . . . . 72.22 110.874 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 55.69 64.31 1.78 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.658 1.183 . . . . 72.31 110.6 -172.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.311 0 CA-C-N 114.395 -1.275 . . . . 61.22 112.653 -178.241 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.53 0.205 . . . . 62.43 110.744 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 91.5 mt -82.36 117.6 22.55 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.134 0.574 . . . . 74.44 110.279 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -84.47 121.63 36.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.975 -0.75 . . . . 73.01 108.975 169.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.55 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 91.0 mttt -85.02 122.3 29.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.969 -1.014 . . . . 75.12 108.714 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.5 mt -119.59 103.99 9.9 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.072 0.549 . . . . 75.13 109.765 -175.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' B' ' 42' ' ' PRO . 4.4 mp0 -72.37 142.9 48.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.016 -0.735 . . . . 75.53 109.016 169.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 28.3 p -91.38 -177.37 4.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.287 -0.869 . . . . 74.55 110.128 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 59.4 p -67.19 -23.57 65.77 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.213 0.605 . . . . 70.23 110.252 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -85.75 -4.06 59.06 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.434 1.093 . . . . 72.13 110.864 175.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 75.09 -0.62 3.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.762 1.625 . . . . 74.33 114.133 172.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -73.36 132.77 43.42 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.517 -0.549 . . . . 71.14 109.517 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 43.6 t -83.93 140.11 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.836 1.254 . . . . 75.13 110.25 -175.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -131.28 101.55 5.61 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.714 0.806 . . . . 70.52 109.1 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.55 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 27.3 mt-10 -86.09 86.44 7.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.044 0.937 . . . . 75.24 109.502 -176.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.62 HD12 ' HB3' ' B' ' 55' ' ' LEU . 12.8 tt -98.37 152.37 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.482 0.713 . . . . 64.1 109.559 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 -60.48 135.71 57.83 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.812 0.845 . . . . 74.23 109.896 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.21 -44.94 90.38 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.257 0.623 . . . . 75.32 111.506 -173.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -55.54 -30.98 61.71 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.175 0.99 . . . . 61.15 111.976 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' B' ' 59' ' ' ARG . 36.9 mt -76.96 -41.92 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 C-N-CA 123.223 0.609 . . . . 74.34 109.893 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.25 -2.83 17.41 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.897 0.879 . . . . 62.42 112.541 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.0 m -72.96 -23.77 60.71 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.295 0.638 . . . . 61.01 112.059 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 70.6 mtm -68.93 -25.44 64.57 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 118.043 0.383 . . . . 75.41 110.826 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.7 t -74.36 99.91 3.63 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.745 -1.206 . . . . 73.51 107.745 166.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.38 -35.45 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.091 0.557 . . . . 73.43 110.814 -175.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.6 m -60.99 -53.15 60.83 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.396 0.679 . . . . 75.14 111.668 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.56 -39.55 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.14 0.576 . . . . 70.43 109.972 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -57.33 -49.64 75.49 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.104 0.962 . . . . 72.15 110.675 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -64.24 -35.54 81.14 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.506 0.723 . . . . 75.12 111.178 -178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 67.0 mtt -64.74 -43.11 94.4 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 123.695 0.622 . . . . 74.21 110.762 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.79 -46.47 82.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.589 -0.732 . . . . 75.22 110.19 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.29 -38.17 85.84 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.945 0.898 . . . . 75.12 111.354 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.89 -44.89 91.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.443 1.097 . . . . 71.43 110.94 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.605 HD13 ' HG ' ' B' ' 37' ' ' SER . 60.3 mt -89.49 -9.93 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 124.434 1.094 . . . . 64.22 110.674 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.15 -75.63 0.67 Allowed Glycine 0 C--N 1.344 0.992 0 N-CA-C 110.016 -1.234 . . . . 73.52 110.016 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -143.35 103.02 4.06 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.986 0.914 . . . . 73.4 108.904 171.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.605 ' HG ' HD13 ' B' ' 34' ' ' ILE . 43.2 m -68.14 102.03 1.27 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.768 0.827 . . . . 71.41 110.644 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -83.13 -33.43 26.28 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.411 0.684 . . . . 73.32 110.108 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.1 p -71.12 141.05 85.98 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 123.417 0.687 . . . . 74.11 110.01 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.92 140.45 92.08 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.728 2.285 . . . . 62.32 113.271 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.14 105.95 28.07 Favored Pre-proline 0 CA--C 1.554 1.099 0 N-CA-C 108.699 -0.852 . . . . 74.22 108.699 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . 0.438 ' HA ' ' HB2' ' B' ' 7' ' ' GLU . 3.0 Cg_exo -77.24 126.54 8.57 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.956 2.437 . . . . 72.32 110.927 174.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.407 HD13 HD23 ' B' ' 98' ' ' LEU . 79.8 mt -111.95 95.06 27.47 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.18 0.992 . . . . 75.23 110.244 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -83.78 70.93 6.04 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 123.195 2.596 . . . . 74.13 112.256 -177.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -167.89 -66.43 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.364 -0.834 . . . . 72.42 109.061 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.09 124.68 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 115.205 -0.907 . . . . 73.1 110.59 -176.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 78.0 p -71.87 167.68 19.5 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.526 0.731 . . . . 72.5 110.688 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.7 p -67.65 -37.7 82.79 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.829 0.452 . . . . 75.14 111.313 -176.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 19.3 m -62.58 -48.83 77.73 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.922 0.763 . . . . 75.05 110.662 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.603 HG21 HD21 ' B' ' 91' ' ' LEU . 48.2 mm -71.7 -45.39 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 115.275 -0.875 . . . . 74.22 110.414 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 37.8 tp -60.37 -37.89 82.18 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.673 0.789 . . . . 72.21 110.613 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.7 -50.9 72.2 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 123.985 0.803 . . . . 74.03 110.049 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -65.43 -47.92 74.55 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 124.317 1.01 . . . . 72.3 111.82 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.72 -46.82 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.72 0.808 . . . . 72.43 110.498 -175.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.62 ' HB3' HD12 ' B' ' 16' ' ' ILE . 80.9 mt -65.48 -44.27 87.64 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.469 0.481 . . . . 72.43 111.067 177.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.06 -36.65 82.28 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.125 0.97 . . . . 70.52 111.029 -175.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . 0.441 ' CD1' HD21 ' B' ' 103' ' ' LEU . 57.6 t80 -67.41 -46.12 74.15 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.528 -0.76 . . . . 74.52 109.907 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.551 ' SG ' HG21 ' B' ' 100' ' ' ILE . 97.6 m -60.65 -32.0 71.19 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.659 -0.7 . . . . 72.31 111.466 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.542 ' HA ' HD12 ' B' ' 20' ' ' ILE . 36.6 mtp-105 -61.65 -43.44 98.84 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.823 -0.436 . . . . 72.31 109.823 176.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -66.14 -41.56 90.29 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.758 -0.655 . . . . 73.01 111.004 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -71.48 -19.58 62.19 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.187 0.595 . . . . 73.24 111.474 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . 0.423 ' CG ' HG12 ' B' ' 20' ' ' ILE . 79.8 t60 -79.11 -40.93 29.84 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 110.099 -0.334 . . . . 72.41 110.099 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 12.2 mm100 -71.08 -26.36 63.02 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.835 -0.62 . . . . 70.4 110.735 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -128.11 81.11 71.08 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 124.088 0.955 . . . . 73.11 108.576 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.09 83.42 1.64 Allowed 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.857 2.371 . . . . 75.43 112.006 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.8 -108.18 0.23 Allowed Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.822 -0.626 . . . . 71.11 112.46 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.4 81.65 1.59 Allowed Glycine 0 C--N 1.346 1.102 0 N-CA-C 110.171 -1.172 . . . . 60.25 110.171 -170.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.6 m -84.41 -24.3 29.66 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.955 0.902 . . . . 63.02 112.316 -171.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.56 -52.12 3.96 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 111.337 -0.705 . . . . 62.32 111.337 -171.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 3.2 pp -78.82 1.0 24.8 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.295 1.038 . . . . 74.02 112.679 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -82.93 12.93 4.32 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.451 0.701 . . . . 74.02 112.319 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 85.87 -31.54 0.05 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 126.251 1.82 . . . . 65.24 111.756 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.461 ' HA ' ' HD2' ' B' ' 74' ' ' PRO . 41.1 mm 64.39 104.61 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.312 0 C-N-CA 124.68 1.192 . . . . 71.52 110.839 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . 0.461 ' HD2' ' HA ' ' B' ' 73' ' ' ILE . 9.9 Cg_endo -52.33 140.02 53.51 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.191 2.594 . . . . 75.11 112.786 176.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -49.68 -35.99 39.93 Favored 'Trans proline' 0 C--N 1.386 2.526 0 C-N-CA 123.76 2.973 . . . . 73.31 114.79 -175.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.4 -49.36 77.53 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.684 0.394 . . . . 64.12 111.441 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.65 -31.31 69.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.916 0.886 . . . . 71.24 111.095 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -71.96 -50.1 31.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.315 1.046 . . . . 73.14 110.477 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.467 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 14.8 m-20 -77.57 -14.07 59.75 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.076 1.35 . . . . 73.52 112.527 -176.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.448 ' CE2' HD23 ' B' ' 103' ' ' LEU . 71.3 t80 -53.27 -35.42 60.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.1 0.56 . . . . 64.32 110.669 171.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 53.0 m -69.06 -16.98 63.82 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.793 1.237 . . . . 55.31 112.607 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.467 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 34.6 mmtp -75.49 78.27 2.53 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.333 0.653 . . . . 73.43 110.404 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -136.49 163.38 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.594 1.158 . . . . 74.14 108.867 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.86 157.28 25.05 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.63 0.772 . . . . 74.22 110.073 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -54.72 46.75 Favored Pre-proline 0 CA--C 1.572 1.805 0 C-N-CA 123.943 0.897 . . . . 74.32 111.876 -169.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.46 -30.65 23.34 Favored 'Trans proline' 0 C--N 1.391 2.776 0 CA-C-N 121.066 1.416 . . . . 75.22 112.426 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.2 m -63.14 -30.97 72.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.113 0.965 . . . . 61.42 111.451 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.16 -41.08 90.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.856 0.862 . . . . 75.15 109.596 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -72.2 -29.06 63.61 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.863 -0.608 . . . . 70.33 111.592 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -61.78 -36.52 81.32 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.623 0.369 . . . . 75.21 110.426 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.603 HD21 HG21 ' B' ' 50' ' ' ILE . 97.2 mt -65.72 -37.11 85.53 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.597 0.759 . . . . 74.14 110.937 175.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 58.4 mt -68.88 -44.04 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 123.427 0.691 . . . . 74.3 110.482 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.13 -38.31 90.62 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.534 0.733 . . . . 71.34 110.576 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.34 -41.54 69.66 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.98 0.8 . . . . 71.3 111.245 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.86 82.52 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.617 -0.72 . . . . 74.42 111.283 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . 0.425 HD22 ' HA ' ' A' ' 105' ' ' ASP . 45.7 t30 -79.33 -36.83 38.88 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.726 0.81 . . . . 64.21 110.643 178.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -63.06 -36.48 83.71 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.641 0.776 . . . . 74.01 110.838 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.407 HD23 HD13 ' B' ' 43' ' ' LEU . 98.4 mt -96.09 -13.03 23.97 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.756 0.823 . . . . 73.33 111.279 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 59.12 33.44 22.83 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.384 1.074 . . . . 73.12 111.944 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.551 HG21 ' SG ' ' B' ' 58' ' ' CYS . 31.8 mt -75.3 93.76 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.664 -0.865 . . . . 63.52 108.664 174.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -54.24 -49.99 87.2 Favored Pre-proline 0 CA--C 1.57 1.72 0 C-N-CA 124.356 1.063 . . . . 74.13 111.928 -176.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.13 -50.61 10.76 Favored 'Trans proline' 0 C--N 1.397 3.121 0 C-N-CA 121.754 1.636 . . . . 72.13 113.268 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.448 HD23 ' CE2' ' B' ' 80' ' ' PHE . 2.4 tm? -68.27 -39.48 82.16 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.805 0.442 . . . . 72.4 110.126 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.49 HD23 HD23 ' A' ' 104' ' ' LEU . 61.0 tp -57.97 -46.63 84.86 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.626 0.77 . . . . 73.51 110.619 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' B' ' 109' ' ' LYS . 19.7 t70 -66.07 -51.81 54.71 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 124.261 0.976 . . . . 74.43 110.582 -175.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 77.9 t -56.32 -46.96 81.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 O-C-N 124.025 0.828 . . . . 61.54 111.128 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.2 m -70.78 -34.47 71.82 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.395 0.678 . . . . 71.32 111.898 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 90.8 m -72.43 -37.53 68.56 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.011 0.524 . . . . 71.43 110.725 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' B' ' 105' ' ' ASP . 32.8 mmtp -68.35 -32.98 73.47 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.175 0.59 . . . . 73.44 109.686 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 92.6 m -58.8 -47.71 83.8 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 123.324 0.65 . . . . 73.42 111.085 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.504 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 15.7 t -65.1 -42.07 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 123.426 0.454 . . . . 74.2 110.092 -179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.16 -34.57 73.76 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.73 -1.123 . . . . 72.44 111.143 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -80.75 -24.48 38.65 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.211 1.004 . . . . 74.11 111.76 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.504 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 49.9 mtm -71.01 -51.27 26.37 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 109.27 -0.641 . . . . 74.31 109.27 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 40.8 pt -76.34 -30.94 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.489 -0.778 . . . . 71.41 110.736 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 54.28 67.17 1.05 Allowed 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.692 1.197 . . . . 75.54 110.484 -171.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 CA-C-N 114.632 -1.167 . . . . 75.04 112.498 -179.547 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 m . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.87 0.367 . . . . 71.22 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.4 115.87 13.28 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.599 -0.728 . . . . 75.44 109.962 171.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.5 m -80.01 125.89 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.46 -0.571 . . . . 75.42 109.46 175.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 89.5 mttt -93.82 110.85 22.48 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.672 -0.862 . . . . 73.52 108.672 -175.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.4 mt -111.09 101.03 9.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.703 0.801 . . . . 64.41 109.25 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -81.72 128.91 34.47 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.516 -0.549 . . . . 75.31 109.516 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.5 p -71.11 -179.49 2.37 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.284 0.634 . . . . 72.23 111.103 172.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.2 p -68.67 -18.44 64.27 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.95 0.5 . . . . 74.52 110.468 169.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.435 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 29.4 t70 -91.69 9.86 30.68 Favored 'General case' 0 CA--C 1.564 1.492 0 C-N-CA 124.276 1.03 . . . . 73.24 110.591 173.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 68.98 8.9 7.12 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 125.447 1.499 . . . . 73.2 113.872 168.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -76.1 122.64 24.57 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.792 0.437 . . . . 65.14 110.166 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.421 HG12 ' HB3' ' A' ' 5' ' ' LYS . 61.2 t -78.97 102.14 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.627 1.171 . . . . 74.31 110.024 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -93.21 88.79 6.17 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.094 0.557 . . . . 74.42 109.908 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.556 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 31.1 mt-10 -73.24 111.94 8.83 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.085 -0.961 . . . . 75.21 108.54 173.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.2 tt -139.98 155.8 24.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.238 0.615 . . . . 72.24 109.475 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.83 133.28 55.28 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.483 0.713 . . . . 74.53 110.151 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.53 -31.57 69.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.06 0.944 . . . . 70.44 111.918 -176.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -56.0 -35.99 67.42 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.144 0.978 . . . . 75.25 112.129 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.413 HD12 ' HB2' ' A' ' 59' ' ' ARG . 37.8 mt -80.37 -34.82 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.0 0.92 . . . . 74.04 110.052 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.6 68.39 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.525 -0.762 . . . . 72.13 111.334 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 84.4 m -75.1 -27.27 59.8 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.782 0.833 . . . . 70.01 111.48 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.505 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 86.1 mtp -65.27 -37.51 87.43 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.235 0.541 . . . . 74.45 110.109 173.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.59 ' HA ' HG12 ' A' ' 100' ' ' ILE . 43.1 t -70.48 115.99 10.29 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.809 -1.087 . . . . 55.35 108.391 170.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 86.2 t -60.47 -52.05 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.46 0.704 . . . . 72.02 111.381 -174.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.408 ' HB ' ' HA ' ' A' ' 98' ' ' LEU . 88.0 m -64.58 -44.21 91.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.215 0.606 . . . . 74.25 112.086 -177.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.456 HG13 HD22 ' A' ' 98' ' ' LEU . 70.5 mt -65.04 -42.39 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 109.884 -0.413 . . . . 71.42 109.884 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -56.26 -45.09 80.2 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.961 0.904 . . . . 71.04 110.539 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.18 -34.49 77.75 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.772 0.67 . . . . 53.12 110.649 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.9 mtm -72.45 -34.33 67.68 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.827 0.451 . . . . 72.42 111.08 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 27' ' ' ILE . 78.6 mt -68.67 -38.12 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 N-CA-C 109.233 -0.655 . . . . 72.0 109.233 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.76 -26.44 59.77 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.495 0.718 . . . . 74.42 111.254 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.44 -46.07 20.66 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.638 0.775 . . . . 74.13 111.118 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -89.08 -39.76 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 115.552 -0.749 . . . . 75.34 110.063 -174.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.07 -151.77 18.18 Favored Glycine 0 C--N 1.342 0.876 0 N-CA-C 110.619 -0.993 . . . . 64.53 110.619 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -80.26 74.11 7.1 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 121.48 0.657 . . . . 74.13 109.536 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -75.4 109.14 8.7 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.254 -0.885 . . . . 71.12 110.647 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.19 -28.26 63.09 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.348 0.659 . . . . 72.33 109.565 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 m -60.61 136.61 92.57 Favored Pre-proline 0 CA--C 1.547 0.854 0 CA-C-N 115.172 -0.922 . . . . 75.51 110.7 172.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.57 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.6 Cg_endo -68.78 143.19 54.84 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.716 2.278 . . . . 72.22 111.772 177.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.4 mm -104.23 102.05 30.32 Favored Pre-proline 0 CA--C 1.551 1.007 0 N-CA-C 109.469 -0.567 . . . . 73.12 109.469 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.98 136.42 10.41 Favored 'Trans proline' 0 C--N 1.372 1.77 0 C-N-CA 122.486 2.124 . . . . 72.45 111.985 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.2 mt -103.41 95.34 6.94 Favored Pre-proline 0 CA--C 1.557 1.213 0 C-N-CA 124.556 1.142 . . . . 75.1 108.248 172.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -82.78 42.3 1.27 Allowed 'Trans proline' 0 C--N 1.378 2.113 0 C-N-CA 123.636 2.891 . . . . 74.44 113.974 -170.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -142.73 -57.61 0.43 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.211 0.604 . . . . 72.24 109.89 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.39 127.62 34.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 115.883 -0.599 . . . . 71.12 110.105 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.7 p -75.05 171.07 14.77 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.531 0.732 . . . . 75.44 111.494 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.435 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 34.1 p -63.06 -48.02 80.48 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.767 0.827 . . . . 71.14 112.181 -175.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 62.7 p -57.15 -46.2 82.95 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 124.237 0.961 . . . . 75.35 110.881 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.574 HG22 HD23 ' A' ' 91' ' ' LEU . 46.8 mm -74.99 -46.69 39.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.756 -0.656 . . . . 75.14 110.924 -174.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.38 -36.82 84.99 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.107 0.563 . . . . 73.01 110.844 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.99 -49.88 76.19 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.26 0.624 . . . . 75.13 109.822 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 49' ' ' THR . 27.9 mtpp -64.29 -46.92 81.5 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.56 1.163 . . . . 74.14 111.781 -176.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.534 HG12 ' HG ' ' A' ' 103' ' ' LEU . 70.2 t -60.77 -44.94 98.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 123.608 0.763 . . . . 70.42 110.089 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.5 mt -70.07 -32.12 70.05 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.304 0.641 . . . . 75.23 111.516 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.57 -32.33 60.34 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.475 0.71 . . . . 70.25 111.213 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -75.1 -40.02 60.26 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.825 -0.435 . . . . 74.51 109.825 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.496 ' SG ' HD12 ' A' ' 100' ' ' ILE . 84.2 m -64.41 -37.61 88.13 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.007 -0.542 . . . . 74.33 110.404 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.413 ' HB2' HD12 ' A' ' 20' ' ' ILE . 6.5 ptm180 -72.41 -34.39 67.84 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.814 0.446 . . . . 73.51 110.124 178.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -58.85 -47.16 85.85 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.147 0.979 . . . . 75.55 110.52 171.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -78.49 -15.37 58.69 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.967 -1.015 . . . . 71.21 110.409 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.505 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 71.8 t60 -82.28 -38.83 23.82 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.662 0.385 . . . . 75.03 110.478 176.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 19.6 mm100 -73.91 -30.94 62.86 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.688 -0.687 . . . . 75.02 110.416 178.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -124.81 81.52 61.49 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 108.129 -1.063 . . . . 72.41 108.129 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -68.34 -62.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.383 2.388 0 C-N-CA 122.735 2.29 . . . . 75.13 111.505 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.46 -85.71 0.04 OUTLIER Glycine 0 C--N 1.357 1.699 0 O-C-N 124.125 0.891 . . . . 71.21 113.162 -177.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.57 -98.5 0.65 Allowed Glycine 0 C--N 1.343 0.935 0 N-CA-C 110.887 -0.885 . . . . 62.12 110.887 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.0 p -82.54 78.01 9.23 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 121.652 0.739 . . . . 70.32 109.87 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.73 47.2 0.74 Allowed Glycine 0 C--N 1.342 0.916 0 CA-C-N 115.215 -0.902 . . . . 64.25 111.957 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.0 mt -70.38 -20.07 62.98 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.354 0.661 . . . . 74.41 111.032 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -72.16 -23.39 61.28 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.605 1.162 . . . . 72.21 111.081 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -109.77 95.25 5.48 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 108.784 -0.821 . . . . 72.51 108.784 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.9 mm -104.46 112.03 65.31 Favored Pre-proline 0 N--CA 1.477 0.877 0 N-CA-C 109.404 -0.591 . . . . 65.12 109.404 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -61.56 142.48 94.95 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.201 1.934 . . . . 72.4 111.319 170.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.0 -32.47 58.17 Favored 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 123.4 2.733 . . . . 74.11 113.191 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -52.4 -41.25 63.01 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.943 0.897 . . . . 74.41 112.041 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -36.67 84.65 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.978 0.911 . . . . 74.22 110.525 -176.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -76.37 -34.96 58.91 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.557 -0.747 . . . . 75.32 110.544 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -70.67 -27.15 63.81 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.24 -0.436 . . . . 61.41 110.802 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -65.12 -39.47 93.13 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.354 1.061 . . . . 70.02 109.958 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 66.1 m -69.91 -20.82 63.34 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.377 -1.283 . . . . 75.22 112.06 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -76.06 82.88 2.91 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.19 0.596 . . . . 73.22 109.473 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.59 167.15 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.754 1.222 . . . . 65.15 109.105 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -70.74 157.84 37.33 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 109.197 -0.668 . . . . 73.51 109.197 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -57.27 -50.68 86.79 Favored Pre-proline 0 CA--C 1.566 1.576 0 N-CA-C 113.144 0.794 . . . . 62.4 113.144 -171.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.48 -37.07 31.51 Favored 'Trans proline' 0 C--N 1.388 2.639 0 C-N-CA 121.503 1.468 . . . . 72.53 112.421 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 28.6 m -60.21 -32.76 71.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.4 1.08 . . . . 74.4 111.599 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.48 -48.75 74.02 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.089 0.955 . . . . 74.33 109.402 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -66.83 -29.85 69.88 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.605 -0.725 . . . . 71.13 111.274 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' HB3' HG13 ' A' ' 50' ' ' ILE . 19.3 mm-40 -63.39 -38.51 91.41 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.147 0.579 . . . . 73.41 111.254 173.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.574 HD23 HG22 ' A' ' 50' ' ' ILE . 96.1 mt -64.94 -37.36 87.4 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.242 0.617 . . . . 74.14 110.621 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.3 mt -65.79 -45.07 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.553 0.741 . . . . 73.44 110.221 176.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.85 -39.45 90.79 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.879 0.871 . . . . 73.33 111.173 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.85 -34.74 66.97 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.534 0.734 . . . . 73.33 110.956 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.549 ' HB1' HD13 ' A' ' 103' ' ' LEU . . . -73.67 -28.83 61.96 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.53 0.732 . . . . 71.54 111.831 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -78.95 -38.9 35.97 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.432 0.693 . . . . 74.13 109.997 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -63.65 -41.3 98.23 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.007 0.923 . . . . 72.03 111.088 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.456 HD22 HG13 ' A' ' 27' ' ' ILE . 83.3 mt -94.26 -9.22 36.81 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.609 0.763 . . . . 73.01 111.204 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 25.0 t0 57.21 33.8 23.86 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.555 1.542 . . . . 53.04 112.03 176.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.59 HG12 ' HA ' ' A' ' 24' ' ' SER . 47.6 mt -81.68 105.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.526 -0.761 . . . . 73.3 109.186 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -61.12 -49.85 86.78 Favored Pre-proline 0 CA--C 1.566 1.573 0 CA-C-O 117.901 -1.047 . . . . 73.11 112.537 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -57.35 -39.15 91.77 Favored 'Trans proline' 0 C--N 1.408 3.673 0 C-N-CA 121.953 1.769 . . . . 73.23 113.485 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.549 HD13 ' HB1' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -68.87 -52.42 29.91 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.04 -0.726 . . . . 72.32 109.04 -179.56 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.52 HD23 HD23 ' B' ' 104' ' ' LEU . 41.9 tp -61.21 -43.94 98.08 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.632 -1.167 . . . . 73.4 111.306 -173.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.43 -49.43 66.77 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.98 0.8 . . . . 74.13 110.692 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.2 t -58.01 -44.26 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.43 0.692 . . . . 74.5 111.202 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.5 m -74.08 -31.02 62.65 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.483 0.713 . . . . 74.11 111.958 -177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 88.8 m -75.85 -29.7 58.66 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.945 0.498 . . . . 74.22 110.491 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -28.7 60.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.362 0.665 . . . . 74.35 110.177 175.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -56.88 -53.62 55.84 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.384 0.673 . . . . 72.21 111.101 174.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.4 m -66.68 -35.47 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 116.441 -0.345 . . . . 65.14 110.797 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.19 80.49 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 124.056 0.847 . . . . 74.23 111.641 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -72.61 -43.0 63.87 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.298 0.639 . . . . 74.35 110.749 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 63.3 mtm -64.12 -38.44 91.05 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.313 0.645 . . . . 74.43 111.848 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 86' ' ' PRO . 24.8 pt -83.06 -28.93 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 122.982 0.513 . . . . 72.05 111.217 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -80.27 97.06 6.81 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.779 -0.822 . . . . 73.23 108.779 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.699 0 CA-C-N 115.325 -0.852 . . . . 64.3 113.442 173.229 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 120.7 0.286 . . . . 73.12 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.91 116.6 12.5 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.779 -0.646 . . . . 75.42 109.707 171.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.58 125.31 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.477 0.656 . . . . 74.34 109.44 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.578 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 89.7 mttt -93.57 111.47 23.15 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.637 -0.875 . . . . 73.33 108.637 -175.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.2 mt -111.48 100.34 8.93 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.522 0.729 . . . . 73.32 109.298 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -80.57 128.18 33.3 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.613 -0.514 . . . . 63.04 109.613 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.9 p -70.57 179.64 2.47 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.064 0.545 . . . . 74.23 111.123 172.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.5 p -67.12 -20.29 65.75 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.033 0.533 . . . . 51.15 110.416 169.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 26.9 t70 -90.34 8.91 31.07 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 124.336 1.054 . . . . 73.22 110.714 174.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 69.23 11.04 8.09 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 125.372 1.469 . . . . 74.4 113.698 168.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -77.58 123.17 26.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.785 0.434 . . . . 71.52 110.111 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.422 HG12 ' HB3' ' B' ' 5' ' ' LYS . 59.7 t -79.91 101.62 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.263 1.025 . . . . 75.5 109.935 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -92.56 88.74 6.44 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.184 0.516 . . . . 74.31 109.842 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.555 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 32.2 mt-10 -72.76 112.38 8.76 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.211 -1.033 . . . . 73.24 108.211 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.0 tt -140.38 156.37 23.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 109.511 -0.551 . . . . 75.2 109.511 -176.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.96 133.86 55.92 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.293 0.637 . . . . 62.32 110.19 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -60.58 -31.25 70.4 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.266 1.026 . . . . 64.11 111.648 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -56.8 -36.09 69.51 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.006 0.923 . . . . 71.14 112.005 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 37.1 mt -79.54 -35.14 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.771 0.828 . . . . 74.45 110.077 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.56 -26.82 68.58 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.604 -0.725 . . . . 73.13 111.334 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 76.7 m -74.63 -28.97 61.11 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.665 0.786 . . . . 63.44 111.383 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' MET . . . . . 0.498 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 85.6 mtp -63.72 -37.07 85.98 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.093 0.473 . . . . 71.53 110.271 174.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.573 ' HA ' HG12 ' B' ' 100' ' ' ILE . 42.5 t -70.53 116.69 11.15 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.996 -1.002 . . . . 74.35 108.484 170.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.516 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 89.1 t -61.05 -52.32 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.39 0.676 . . . . 74.24 111.206 -174.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.409 ' HB ' ' HA ' ' B' ' 98' ' ' LEU . 84.9 m -64.23 -44.57 91.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.352 0.661 . . . . 73.42 112.241 -177.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.469 HG13 HD22 ' B' ' 98' ' ' LEU . 70.7 mt -64.84 -42.2 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 109.894 -0.41 . . . . 74.22 109.894 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -56.15 -45.19 79.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.923 0.889 . . . . 75.54 110.475 174.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.29 -34.37 77.54 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.916 0.76 . . . . 74.4 110.752 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 73.6 mtm -72.8 -34.38 66.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.041 0.536 . . . . 72.3 110.988 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.409 HG13 ' O ' ' B' ' 27' ' ' ILE . 77.9 mt -68.59 -37.1 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.319 0.648 . . . . 75.43 109.474 174.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -76.16 -26.27 56.08 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.557 0.743 . . . . 64.22 111.428 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -78.68 -46.35 19.31 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.758 0.823 . . . . 73.3 111.101 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 67.3 mt -87.96 -41.36 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.272 -0.877 . . . . 72.45 109.935 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.96 -151.17 18.34 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 110.761 -0.936 . . . . 64.53 110.761 -174.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -80.91 74.31 7.89 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.536 0.684 . . . . 74.43 109.382 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 28.6 p -75.94 109.86 9.92 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.009 -0.996 . . . . 75.1 110.009 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.93 -30.55 65.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.974 -0.75 . . . . 74.24 108.974 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 37.6 m -60.62 135.95 92.35 Favored Pre-proline 0 CA--C 1.544 0.712 0 O-C-N 124.389 1.056 . . . . 74.11 110.585 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.578 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 58.7 Cg_endo -67.75 143.75 62.84 Favored 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 122.853 2.369 . . . . 74.21 111.522 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mm -104.66 101.81 30.71 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 109.612 -0.514 . . . . 72.35 109.612 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.54 136.83 11.22 Favored 'Trans proline' 0 C--N 1.374 1.874 0 C-N-CA 122.326 2.018 . . . . 71.41 112.068 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 63.6 mt -104.07 94.46 6.66 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 124.498 1.119 . . . . 75.43 108.231 172.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -82.06 42.34 1.3 Allowed 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 123.463 2.775 . . . . 71.34 114.16 -171.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -142.54 -56.84 0.44 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.328 0.651 . . . . 75.33 109.878 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.61 126.91 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-N 115.982 -0.554 . . . . 73.52 110.062 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.9 p -74.45 169.9 16.77 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.805 0.842 . . . . 63.13 111.279 -176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.429 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 31.0 p -63.02 -47.79 81.57 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.756 0.823 . . . . 70.32 112.216 -174.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.451 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 66.1 p -57.2 -45.33 83.87 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 124.159 0.912 . . . . 74.33 111.145 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.557 HG22 HD23 ' B' ' 91' ' ' LEU . 47.3 mm -75.43 -46.47 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.579 -0.737 . . . . 75.12 110.797 -174.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.35 -36.86 85.1 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.625 0.578 . . . . 75.1 110.746 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.73 -49.81 76.25 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.325 0.65 . . . . 60.34 109.858 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' B' ' 49' ' ' THR . 28.1 mtpp -64.62 -46.47 82.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.934 -1.03 . . . . 74.13 111.979 -176.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.53 HG12 ' HG ' ' B' ' 103' ' ' LEU . 69.7 t -61.13 -45.28 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.63 0.772 . . . . 63.32 110.012 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 76.1 mt -69.61 -31.88 70.27 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.775 -0.648 . . . . 74.42 111.529 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -75.61 -32.66 60.37 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.479 0.712 . . . . 75.04 111.375 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -75.14 -39.77 60.22 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.898 -0.408 . . . . 74.13 109.898 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.48 ' SG ' HD12 ' B' ' 100' ' ' ILE . 84.7 m -64.65 -37.48 87.74 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.975 -0.557 . . . . 74.2 110.541 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 6.5 ptm180 -72.5 -34.39 67.62 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.803 0.441 . . . . 72.5 110.278 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -58.79 -47.86 83.28 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.266 1.027 . . . . 72.35 110.433 171.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -77.74 -15.63 58.99 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.238 -0.892 . . . . 64.11 110.48 -177.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . 0.498 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 70.7 t60 -82.22 -39.25 23.35 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.614 0.366 . . . . 64.31 110.496 176.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 17.2 mm100 -73.3 -31.24 63.92 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.782 -0.645 . . . . 74.3 110.395 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -124.46 81.6 59.3 Favored Pre-proline 0 C--O 1.244 0.783 0 N-CA-C 108.22 -1.03 . . . . 75.02 108.22 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.18 -61.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 122.691 2.261 . . . . 74.43 111.563 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.94 -85.81 0.05 OUTLIER Glycine 0 C--N 1.356 1.672 0 O-C-N 124.128 0.893 . . . . 74.42 112.698 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 122.57 -98.48 0.62 Allowed Glycine 0 C--N 1.343 0.94 0 N-CA-C 110.659 -0.976 . . . . 71.11 110.659 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 45.2 p -83.38 76.84 9.88 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.43 0.692 . . . . 72.43 109.884 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.32 45.81 0.88 Allowed Glycine 0 C--N 1.347 1.191 0 CA-C-N 115.398 -0.819 . . . . 71.11 112.189 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.92 -21.72 63.27 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.485 0.714 . . . . 73.52 111.114 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.85 -24.87 63.51 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.656 1.182 . . . . 72.41 111.182 174.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -108.76 95.96 6.0 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.644 0.778 . . . . 73.45 109.539 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.7 mm -104.09 113.26 65.44 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 109.043 -0.725 . . . . 70.33 109.043 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.95 141.85 90.86 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.322 2.015 . . . . 55.42 111.313 169.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.41 -32.03 50.43 Favored 'Trans proline' 0 C--N 1.382 2.332 0 C-N-CA 123.259 2.639 . . . . 74.4 113.409 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -52.58 -41.65 63.8 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.715 0.806 . . . . 70.1 112.092 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.6 -37.22 85.38 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.027 0.931 . . . . 64.03 110.692 -177.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -76.27 -35.29 58.98 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.287 -0.87 . . . . 74.33 110.912 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.09 -26.39 63.02 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.808 -0.633 . . . . 74.34 110.785 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -65.28 -39.65 92.84 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.244 1.018 . . . . 75.11 109.942 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.0 m -70.53 -18.98 62.93 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 114.286 -1.325 . . . . 73.4 112.261 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -77.28 82.22 3.76 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.33 0.652 . . . . 75.1 109.693 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 m -135.87 166.96 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.717 1.207 . . . . 62.51 109.093 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -70.38 157.69 37.33 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 109.284 -0.635 . . . . 71.22 109.284 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -57.09 -50.49 87.93 Favored Pre-proline 0 CA--C 1.566 1.592 0 C-N-CA 123.782 0.833 . . . . 75.53 113.036 -171.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . 0.548 ' HA ' HD12 ' A' ' 115' ' ' ILE . 40.4 Cg_endo -65.49 -36.75 32.88 Favored 'Trans proline' 0 C--N 1.388 2.65 0 C-N-CA 121.48 1.453 . . . . 71.03 112.872 173.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 28.3 m -61.01 -31.86 71.46 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.39 1.076 . . . . 72.43 111.715 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.89 -49.05 72.0 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.024 0.93 . . . . 74.1 109.417 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.423 ' CD2' HD11 ' A' ' 115' ' ' ILE . 52.1 m-85 -67.22 -29.65 69.36 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.591 -0.732 . . . . 72.34 111.343 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.8 -38.61 91.36 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.274 0.63 . . . . 74.24 111.288 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.557 HD23 HG22 ' B' ' 50' ' ' ILE . 96.0 mt -65.06 -37.19 86.75 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.144 0.578 . . . . 75.31 110.637 175.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.79 -45.0 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.583 0.753 . . . . 73.13 110.156 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.22 -40.63 94.38 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.926 0.89 . . . . 74.31 111.275 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.19 -34.76 68.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.519 0.728 . . . . 75.53 110.982 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' B' ' 103' ' ' LEU . . . -73.71 -28.4 61.71 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.478 0.711 . . . . 74.53 111.664 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -79.14 -39.89 32.38 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.493 0.717 . . . . 72.32 109.933 174.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -63.11 -40.92 99.04 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.982 0.913 . . . . 75.12 111.106 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.469 HD22 HG13 ' B' ' 27' ' ' ILE . 83.3 mt -94.6 -8.46 38.03 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.614 0.765 . . . . 74.35 111.195 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.516 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 25.2 t0 56.34 34.24 23.77 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.478 1.511 . . . . 73.13 111.958 177.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.573 HG12 ' HA ' ' B' ' 24' ' ' SER . 46.6 mt -82.0 105.98 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 115.462 -0.79 . . . . 73.34 109.21 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -62.43 -48.99 85.72 Favored Pre-proline 0 CA--C 1.563 1.455 0 CA-C-O 117.88 -1.057 . . . . 75.24 112.446 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.15 -38.57 95.11 Favored 'Trans proline' 0 C--N 1.404 3.467 0 C-N-CA 121.894 1.73 . . . . 64.44 113.528 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.562 HD13 ' HB1' ' B' ' 95' ' ' ALA . 0.7 OUTLIER -69.73 -52.4 25.78 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.105 -0.702 . . . . 72.5 109.105 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.52 HD23 HD23 ' A' ' 104' ' ' LEU . 42.3 tp -61.24 -44.68 96.87 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.644 -1.162 . . . . 74.44 111.327 -173.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.05 -48.76 69.98 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.177 0.923 . . . . 70.22 110.433 -175.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.56 -44.55 89.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.407 0.683 . . . . 74.41 111.245 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -73.62 -30.85 63.22 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.542 0.737 . . . . 74.23 111.89 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.5 m -76.06 -29.37 57.98 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.121 0.568 . . . . 64.34 110.707 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.61 -28.57 58.91 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.403 0.681 . . . . 63.12 110.368 175.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 89.3 m -56.99 -53.86 53.21 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.387 0.675 . . . . 74.01 111.035 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.6 m -66.67 -35.49 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 O-C-N 123.178 0.299 . . . . 73.43 110.761 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.02 -35.6 79.03 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.9 0.75 . . . . 50.32 111.527 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -72.56 -43.79 62.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.194 0.598 . . . . 63.34 110.639 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 62.9 mtm -63.14 -38.94 93.15 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.089 0.556 . . . . 74.42 111.654 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 24.4 pt -82.67 -28.79 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 116.095 -0.502 . . . . 74.02 111.278 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -80.62 96.92 7.0 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.414 -0.587 . . . . 75.44 109.414 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.555 0 CA-C-O 119.182 -0.788 . . . . 75.12 113.533 174.207 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 110.732 -0.099 . . . . 72.4 110.732 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -93.3 118.3 31.11 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.34 0.656 . . . . 63.0 110.836 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.15 131.1 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.738 -0.838 . . . . 74.4 108.738 167.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.536 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 51.1 mttm -83.2 120.07 25.35 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.534 -0.913 . . . . 74.14 108.534 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.9 mt -120.79 102.81 8.62 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.126 0.571 . . . . 73.24 109.632 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -80.86 154.41 27.11 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.427 0.632 . . . . 73.3 110.272 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.3 p -91.98 -174.6 3.84 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-N 114.948 -1.024 . . . . 65.2 111.024 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 p -62.5 -32.9 73.89 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 115.487 -0.779 . . . . 75.11 109.906 166.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.406 ' HB3' ' HZ3' ' A' ' 12' ' ' LYS . 2.7 m-20 -76.14 -2.44 31.07 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.41 1.084 . . . . 73.42 111.952 173.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 66.55 12.48 8.76 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 125.199 1.4 . . . . 74.11 113.124 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' HZ3' ' HB3' ' A' ' 10' ' ' ASP . 56.2 mttp -74.07 128.54 35.79 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.649 -0.5 . . . . 75.25 109.649 177.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.5 t -75.84 116.6 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.195 0.998 . . . . 72.44 110.678 -174.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -115.07 88.12 2.8 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.833 -0.803 . . . . 75.4 108.833 174.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 97.9 mt-10 -66.66 127.71 33.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.089 -0.96 . . . . 75.21 109.135 172.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.607 HD12 ' HB3' ' A' ' 55' ' ' LEU . 9.2 tt -142.48 148.17 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.348 -0.982 . . . . 75.52 108.348 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.71 132.05 52.71 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.855 -0.424 . . . . 73.24 109.855 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.63 -41.5 95.02 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.454 1.102 . . . . 74.12 111.441 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -61.75 -29.94 70.45 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.46 1.104 . . . . 75.32 112.014 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 59' ' ' ARG . 43.3 mt -76.08 -41.46 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 109.467 -0.568 . . . . 74.01 109.467 174.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -16.96 62.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.939 0.896 . . . . 73.33 112.194 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.6 m -72.75 -22.58 60.83 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.291 0.637 . . . . 72.44 111.96 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.7 mtm -64.47 -29.33 70.37 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.522 0.677 . . . . 73.41 110.323 174.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.402 ' HG ' ' HB3' ' A' ' 98' ' ' LEU . 40.6 t -71.17 111.97 6.94 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.06 -1.089 . . . . 63.21 108.06 164.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.411 ' HB ' ' CB ' ' A' ' 99' ' ' ASP . 45.8 t -66.31 -35.37 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.389 0.431 . . . . 73.51 110.359 -176.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.503 HG22 ' HE1' ' A' ' 30' ' ' MET . 35.7 m -62.58 -49.25 76.0 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.059 0.544 . . . . 72.45 111.504 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.16 -37.34 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 122.968 0.507 . . . . 74.31 109.838 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -61.0 -41.54 96.73 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.387 0.675 . . . . 75.23 110.2 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.94 -31.01 69.59 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.2 0.6 . . . . 74.45 110.987 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.503 ' HE1' HG22 ' A' ' 26' ' ' THR . 67.7 mtt -66.92 -40.73 87.73 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.23 0.612 . . . . 73.14 109.918 173.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.21 -38.17 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 123.85 0.86 . . . . 73.42 110.477 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.32 -38.46 60.22 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.946 0.498 . . . . 73.01 111.659 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.9 -46.46 21.24 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.432 0.693 . . . . 74.33 111.556 -174.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -81.91 -19.31 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.524 0.73 . . . . 75.33 110.63 -176.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.43 26.83 29.23 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 116.407 -0.36 . . . . 73.0 112.239 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 76.27 127.5 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.283 1.833 . . . . 75.43 111.729 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.4 m -116.15 114.17 24.11 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.807 0.843 . . . . 64.34 109.669 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.18 -29.91 61.98 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.36 -0.978 . . . . 62.12 108.36 167.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 m -59.29 152.77 51.63 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.262 1.425 . . . . 74.55 111.796 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -67.15 142.64 61.87 Favored 'Trans proline' 0 C--N 1.373 1.845 0 C-N-CA 122.695 2.264 . . . . 75.31 112.492 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mm -123.56 117.53 27.7 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 124.194 0.998 . . . . 74.25 108.892 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -80.87 141.73 13.55 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.211 1.941 . . . . 63.22 111.561 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.431 HD23 HD21 ' A' ' 98' ' ' LEU . 6.9 mp -110.31 92.28 13.25 Favored Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 107.71 -1.219 . . . . 74.34 107.71 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.77 70.69 7.12 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.954 2.436 . . . . 64.52 112.068 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -169.12 -57.24 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.64 0.776 . . . . 74.11 109.812 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -88.17 128.64 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 CA-C-N 115.22 -0.9 . . . . 75.51 110.081 -174.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.7 p -71.81 165.79 23.37 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.515 0.726 . . . . 74.15 110.87 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 44.8 p -68.55 -39.44 81.1 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.594 0.59 . . . . 71.12 112.594 -174.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -64.16 -40.59 96.45 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.989 0.516 . . . . 74.33 110.932 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.416 ' O ' HG22 ' A' ' 54' ' ' VAL . 51.7 mm -74.73 -46.81 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.961 -0.563 . . . . 74.53 109.897 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.23 -35.09 79.68 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.522 0.729 . . . . 74.43 111.239 -175.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -56.21 -50.15 72.07 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.769 0.668 . . . . 72.3 109.577 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -69.86 -34.55 73.75 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.492 1.12 . . . . 75.54 112.081 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.427 HG11 HD12 ' A' ' 98' ' ' LEU . 55.6 t -65.94 -48.04 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.526 0.73 . . . . 75.45 109.728 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.607 ' HB3' HD12 ' A' ' 16' ' ' ILE . 76.1 mt -73.24 -28.28 62.06 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.472 -0.785 . . . . 73.12 111.209 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.88 -35.15 64.68 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.832 0.853 . . . . 71.02 111.225 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -69.79 -43.35 72.3 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.177 -0.675 . . . . 74.34 109.177 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.636 ' SG ' HD13 ' A' ' 100' ' ' ILE . 85.4 m -63.02 -41.91 99.67 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.376 -0.829 . . . . 64.14 110.521 175.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.519 ' HA ' HD13 ' A' ' 20' ' ' ILE . 45.8 ttp85 -60.0 -46.53 89.19 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.727 0.811 . . . . 72.22 109.7 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -59.53 -47.67 84.62 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 114.348 -1.296 . . . . 71.51 111.118 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -72.55 -31.22 65.11 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.583 0.552 . . . . 73.1 111.701 -171.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -80.5 -45.75 16.98 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.986 0.515 . . . . 75.44 110.745 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -77.35 -32.63 55.19 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.492 0.717 . . . . 72.42 111.084 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -127.15 90.58 48.81 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 124.276 1.031 . . . . 70.42 108.323 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -55.6 -23.98 42.8 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.31 2.674 . . . . 73.51 114.55 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.45 22.92 52.77 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 116.463 -0.335 . . . . 53.14 113.361 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.23 61.3 4.27 Favored Glycine 0 C--N 1.35 1.36 0 CA-C-N 116.818 0.309 . . . . 65.32 112.816 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.1 m -146.34 85.09 1.65 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.067 0.947 . . . . 64.04 109.389 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.76 92.7 0.1 Allowed Glycine 0 C--N 1.348 1.218 0 CA-C-N 115.366 -0.834 . . . . 70.14 112.245 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.61 70.72 5.0 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 108.416 -0.957 . . . . 73.22 108.416 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -179.88 -31.22 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.148 -1.387 . . . . 71.22 109.313 -168.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -52.01 -47.61 64.88 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.695 1.198 . . . . 75.0 111.991 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.6 mm 59.6 88.11 0.13 Allowed Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 124.856 1.262 . . . . 73.34 109.605 -173.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.66 129.33 33.1 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.632 2.221 . . . . 75.31 112.115 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -58.32 -18.78 39.72 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 123.163 2.575 . . . . 74.34 113.004 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.16 -54.76 36.46 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.984 0.913 . . . . 73.33 110.096 173.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.88 -29.27 64.17 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.963 0.905 . . . . 75.25 111.29 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -74.7 -36.55 62.73 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.923 -0.581 . . . . 71.41 110.588 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.581 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 10.7 m-20 -77.81 -22.99 49.21 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.107 -0.497 . . . . 64.24 111.188 173.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -61.13 -39.89 91.75 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 109.775 -0.454 . . . . 73.05 109.775 168.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 76.5 m -75.85 0.39 18.33 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.917 0.887 . . . . 73.32 112.556 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.581 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 34.2 mmtp -76.14 85.21 2.99 Favored 'General case' 0 C--N 1.362 1.139 0 N-CA-C 108.865 -0.791 . . . . 75.12 108.865 170.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.485 HG12 HD13 ' A' ' 91' ' ' LEU . 13.9 m -135.73 151.99 30.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 C-N-CA 124.467 1.107 . . . . 71.45 109.091 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -75.39 170.58 15.82 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.38 -0.6 . . . . 75.33 109.38 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.08 -50.78 85.41 Favored Pre-proline 0 CA--C 1.563 1.479 0 CA-C-O 118.245 -0.883 . . . . 73.02 113.202 -175.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.41 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 36.5 Cg_endo -62.56 -34.44 75.11 Favored 'Trans proline' 0 C--N 1.389 2.66 0 CA-C-N 121.296 1.499 . . . . 71.25 112.362 174.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.458 ' HB ' ' HB ' ' A' ' 83' ' ' VAL . 4.1 m -68.85 -30.33 68.83 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 124.134 0.974 . . . . 74.42 111.295 -175.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.473 ' HG ' HG21 ' A' ' 83' ' ' VAL . 13.0 mt -54.96 -51.93 64.62 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.139 0.976 . . . . 75.54 109.891 170.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -69.0 -30.37 68.75 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.034 -0.984 . . . . 75.42 111.694 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 35.2 mm-40 -65.62 -36.22 83.08 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.765 0.426 . . . . 75.25 111.86 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.488 ' HB2' HG21 ' A' ' 107' ' ' THR . 90.4 mt -68.89 -36.3 77.89 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.881 0.472 . . . . 74.31 110.641 174.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.73 -44.86 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.668 0.787 . . . . 74.24 110.162 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.5 mt -68.51 -38.27 80.77 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.843 0.857 . . . . 70.15 111.206 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.58 -38.94 70.86 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.395 0.678 . . . . 71.02 111.324 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.52 -30.17 65.62 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.379 0.672 . . . . 74.23 111.612 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -72.79 -44.38 61.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.769 0.827 . . . . 74.21 109.891 173.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -64.05 -35.48 80.88 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.984 0.913 . . . . 73.44 111.362 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.431 HD21 HD23 ' A' ' 43' ' ' LEU . 86.2 mt -103.5 1.95 33.0 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.177 0.591 . . . . 75.22 112.555 -177.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.411 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 3.9 m-20 61.3 18.47 9.25 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.562 0.745 . . . . 75.43 112.745 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.636 HD13 ' SG ' ' A' ' 58' ' ' CYS . 47.9 mt -80.74 89.01 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.484 0 N-CA-C 108.531 -0.915 . . . . 72.35 108.531 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 104' ' ' LEU . 42.6 mtpt -69.19 -33.2 3.81 Favored Pre-proline 0 CA--C 1.554 1.128 0 CA-C-O 117.613 -1.184 . . . . 75.14 113.422 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -48.06 -39.07 33.14 Favored 'Trans proline' 0 C--N 1.397 3.092 0 C-N-CA 121.976 1.784 . . . . 72.34 112.993 166.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 33.0 tp -81.26 -48.77 11.59 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.206 0.602 . . . . 75.11 111.069 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 101' ' ' LYS . 54.9 tp -56.88 -48.97 76.92 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.28 1.032 . . . . 74.32 111.278 -173.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 27.8 t70 -62.04 -50.69 70.99 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 114.551 -1.204 . . . . 75.05 110.643 -176.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.55 -45.45 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 O-C-N 124.214 0.946 . . . . 75.44 112.115 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.488 HG21 ' HB2' ' A' ' 91' ' ' LEU . 58.8 m -66.38 -46.78 75.5 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.553 0.341 . . . . 73.32 110.959 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.3 m -66.87 -29.41 69.31 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.705 -0.679 . . . . 65.24 111.191 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 105' ' ' ASP . 0.8 OUTLIER -72.5 -46.81 52.94 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 109.173 -0.677 . . . . 73.4 109.173 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.7 m -61.44 -50.04 74.38 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 124.157 0.911 . . . . 74.11 111.302 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.401 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 12.7 p -64.52 -33.31 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 123.392 0.433 . . . . 73.34 110.767 -178.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.84 -35.33 67.24 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 123.404 0.682 . . . . 73.24 111.125 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.474 ' HA ' ' HB3' ' A' ' 116' ' ' ARG . 90.1 m-20 -72.67 -24.39 61.02 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.369 0.667 . . . . 64.21 111.478 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.401 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 46.4 mtm -63.88 -39.24 93.72 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.646 0.378 . . . . 72.41 110.639 177.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 31.9 pt -92.79 -22.72 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.304 0.642 . . . . 70.15 111.221 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.474 ' HB3' ' HA ' ' A' ' 113' ' ' ASN . 60.6 ttt180 -74.88 -48.25 25.8 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.252 1.021 . . . . 74.23 110.446 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 N-CA-C 110.687 -0.965 . . . . 74.12 110.687 -176.638 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.588 -0.152 . . . . 75.3 110.588 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 69.5 mt -91.2 120.61 32.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.457 0.703 . . . . 72.2 110.708 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 m -90.77 132.0 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 108.92 -0.77 . . . . 62.41 108.92 166.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.531 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 50.9 mttm -83.31 119.63 24.83 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 108.549 -0.908 . . . . 71.32 108.549 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -120.69 103.29 9.0 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.171 0.589 . . . . 75.12 109.705 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -81.96 154.5 25.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.367 0.604 . . . . 73.31 110.346 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.9 p -92.03 -174.65 3.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.946 -1.025 . . . . 64.03 110.967 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.7 p -64.05 -31.07 72.13 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 115.589 -0.732 . . . . 73.33 109.834 167.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . 0.414 ' HB2' ' HB3' ' B' ' 48' ' ' SER . 3.5 m-20 -77.33 -2.65 36.01 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.638 1.175 . . . . 74.32 111.652 173.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 66.94 12.23 8.83 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 125.276 1.43 . . . . 74.51 113.274 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -73.84 128.48 35.64 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.51 -0.552 . . . . 75.52 109.51 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.76 117.98 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.257 1.023 . . . . 64.43 110.602 -175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -116.67 87.9 2.79 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.923 -0.769 . . . . 72.42 108.923 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.531 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 98.2 mt-10 -67.51 128.16 35.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.913 -1.039 . . . . 75.22 108.873 173.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.607 HD12 ' HB3' ' B' ' 55' ' ' LEU . 9.1 tt -143.04 149.04 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.238 -1.023 . . . . 74.24 108.238 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.13 132.83 55.2 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.91 -0.404 . . . . 70.42 109.91 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.85 -41.58 96.13 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.348 1.059 . . . . 73.44 111.392 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.43 -30.45 70.58 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.069 0.856 . . . . 70.14 112.076 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' B' ' 59' ' ' ARG . 43.7 mt -75.63 -40.96 41.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 CA-C-O 121.205 0.526 . . . . 74.42 109.656 174.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.77 -16.52 62.2 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.856 0.863 . . . . 72.42 112.263 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -73.78 -21.96 60.0 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.457 0.703 . . . . 64.54 112.275 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 20.6 mtm -64.77 -29.33 70.3 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.566 0.698 . . . . 62.55 110.161 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.7 t -71.76 110.87 6.59 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.731 -1.122 . . . . 75.44 108.029 164.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.02 -34.67 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 123.346 0.404 . . . . 63.13 110.528 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.463 HG22 ' HE1' ' B' ' 30' ' ' MET . 35.3 m -62.99 -49.36 74.99 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.024 0.53 . . . . 74.15 111.439 178.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 89.4 mt -64.96 -37.46 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.146 0.578 . . . . 72.11 109.836 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -61.17 -41.57 97.03 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.39 0.676 . . . . 74.14 110.14 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.12 -30.45 68.72 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.285 0.634 . . . . 75.25 111.03 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.463 ' HE1' HG22 ' B' ' 26' ' ' THR . 67.7 mtt -67.09 -40.83 87.04 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.167 0.587 . . . . 71.42 109.823 173.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.2 -38.1 81.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.855 0.862 . . . . 73.32 110.632 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.94 -36.22 59.43 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.484 0.314 . . . . 75.15 111.704 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -78.84 -46.42 18.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.083 0.553 . . . . 74.31 111.62 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 57.5 mt -82.69 -18.42 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.667 0.787 . . . . 71.43 110.309 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.54 28.13 30.66 Favored Glycine 0 C--N 1.347 1.17 0 CA-C-N 116.156 -0.475 . . . . 63.43 111.986 -176.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 76.07 128.21 0.04 OUTLIER 'General case' 0 C--N 1.353 0.75 0 C-N-CA 126.433 1.893 . . . . 74.54 111.894 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 25.2 m -116.31 113.58 23.15 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 123.989 0.916 . . . . 74.2 109.621 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -73.35 -30.3 63.23 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 108.41 -0.959 . . . . 73.35 108.41 167.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.4 m -59.3 153.16 49.47 Favored Pre-proline 0 CA--C 1.557 1.231 0 CA-C-N 114.021 -1.445 . . . . 72.43 111.914 173.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.98 141.43 53.29 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.68 2.254 . . . . 73.41 113.03 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 48.2 mm -122.37 117.58 29.15 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.008 0.923 . . . . 74.22 108.85 -177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -81.15 141.46 12.97 Favored 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.173 1.915 . . . . 61.21 111.563 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.441 HD23 HD21 ' B' ' 98' ' ' LEU . 6.8 mp -109.87 92.7 13.1 Favored Pre-proline 0 CA--C 1.552 1.037 0 N-CA-C 107.641 -1.244 . . . . 75.13 107.641 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -82.15 68.14 7.92 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 123.038 2.492 . . . . 73.04 112.334 -174.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -166.91 -57.38 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.48 -0.782 . . . . 70.21 109.687 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -87.62 128.72 39.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-N 115.339 -0.846 . . . . 73.13 110.005 -174.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 72.0 p -71.67 166.55 21.69 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.663 0.785 . . . . 74.05 110.964 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.414 ' HB3' ' HB2' ' B' ' 10' ' ' ASP . 63.3 p -69.47 -38.31 77.65 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.729 0.641 . . . . 43.34 112.729 -173.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 23.4 p -64.54 -42.01 95.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.234 0.614 . . . . 74.42 110.777 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.42 ' O ' HG22 ' B' ' 54' ' ' VAL . 51.9 mm -74.07 -46.62 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 115.883 -0.598 . . . . 72.32 109.95 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.6 tp -64.48 -34.92 79.34 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.429 0.692 . . . . 74.44 111.288 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -56.58 -49.24 75.44 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 123.53 0.519 . . . . 75.53 109.649 173.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -70.72 -34.31 71.77 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 124.31 1.006 . . . . 74.25 112.176 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.433 HG11 HD12 ' B' ' 98' ' ' LEU . 55.7 t -66.01 -47.98 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.677 0.791 . . . . 74.11 109.763 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.607 ' HB3' HD12 ' B' ' 16' ' ' ILE . 76.7 mt -73.51 -28.55 61.96 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.418 -0.81 . . . . 75.52 111.159 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -74.43 -34.55 63.25 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.701 0.8 . . . . 64.13 111.155 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -69.17 -43.72 73.69 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.04 -0.726 . . . . 74.43 109.04 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' B' ' 100' ' ' ILE . 85.7 m -62.98 -41.98 99.71 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 115.32 -0.854 . . . . 75.33 110.555 175.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.522 ' HA ' HD13 ' B' ' 20' ' ' ILE . 44.2 ttp85 -59.55 -47.0 87.23 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.707 0.803 . . . . 75.4 109.837 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -58.72 -47.66 83.81 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 114.355 -1.293 . . . . 72.3 111.229 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -73.1 -30.57 63.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.076 0.551 . . . . 65.45 111.911 -171.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -80.69 -46.32 15.75 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.768 0.427 . . . . 75.11 110.679 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -76.96 -33.45 57.65 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.553 -0.749 . . . . 71.52 110.86 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -126.47 91.19 48.14 Favored Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 124.198 0.999 . . . . 75.03 108.309 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.02 -24.67 41.04 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.46 2.773 . . . . 74.22 114.683 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.05 23.13 50.29 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-N 116.436 -0.347 . . . . 62.5 113.382 176.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.35 63.77 3.62 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 116.704 0.252 . . . . 72.11 112.788 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 70.0 m -148.31 85.21 1.52 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.05 0.94 . . . . 75.23 109.4 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.14 92.64 0.11 Allowed Glycine 0 C--N 1.349 1.262 0 CA-C-N 115.309 -0.86 . . . . 72.11 112.355 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.47 69.17 4.62 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 108.501 -0.926 . . . . 63.24 108.501 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -178.46 -31.43 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.155 1.382 . . . . 75.13 109.264 -167.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -53.16 -46.76 69.02 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.716 1.206 . . . . 72.23 111.86 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.8 mm 58.61 88.49 0.12 Allowed Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.677 1.191 . . . . 73.43 109.616 -173.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -58.13 129.2 31.88 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 122.616 2.211 . . . . 74.34 112.036 -177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -58.24 -19.2 41.14 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 123.429 2.752 . . . . 73.44 113.18 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -61.43 -54.48 43.02 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.214 1.006 . . . . 73.23 110.074 173.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.51 -29.46 63.63 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.026 0.931 . . . . 75.22 111.399 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -74.77 -36.7 62.55 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.877 -0.601 . . . . 75.34 110.456 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.589 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 11.5 m-20 -77.37 -23.24 50.84 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.006 -0.543 . . . . 74.43 111.249 173.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.4 -40.44 94.37 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 109.683 -0.488 . . . . 74.3 109.683 168.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.43 0.75 15.95 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.013 0.925 . . . . 51.34 112.52 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.589 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 34.3 mmtp -75.74 86.69 2.76 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 108.638 -0.875 . . . . 75.13 108.638 170.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.495 HG12 HD13 ' B' ' 91' ' ' LEU . 14.5 m -136.61 152.31 29.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 C-N-CA 124.416 1.086 . . . . 73.33 108.777 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -75.67 169.97 17.09 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.175 -0.676 . . . . 74.12 109.175 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -56.26 -50.82 85.35 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 118.269 -0.872 . . . . 73.02 113.334 -175.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -63.19 -33.36 72.37 Favored 'Trans proline' 0 C--N 1.389 2.663 0 C-N-CA 121.595 1.53 . . . . 73.23 112.14 174.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' B' ' 83' ' ' VAL . 4.2 m -69.4 -30.37 68.32 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.236 1.014 . . . . 55.43 111.498 -175.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.484 ' HG ' HG21 ' B' ' 83' ' ' VAL . 13.3 mt -54.39 -51.96 63.2 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.177 0.991 . . . . 75.34 109.974 170.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -68.91 -30.35 68.81 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.079 -0.964 . . . . 75.41 111.677 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -65.07 -36.41 84.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.842 0.457 . . . . 70.45 111.797 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.495 HD13 HG12 ' B' ' 83' ' ' VAL . 90.6 mt -69.21 -36.4 77.22 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.911 0.484 . . . . 74.35 110.608 175.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.5 -44.91 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.745 0.818 . . . . 75.14 110.241 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.63 -38.15 80.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.902 0.881 . . . . 75.11 111.141 -178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.81 71.0 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.434 0.693 . . . . 72.33 111.29 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.86 -29.97 64.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.367 0.667 . . . . 74.21 111.683 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -73.04 -43.38 62.07 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.797 0.839 . . . . 63.2 109.92 173.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -64.02 -37.76 88.62 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.161 0.985 . . . . 72.15 111.174 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.441 HD21 HD23 ' B' ' 43' ' ' LEU . 86.1 mt -102.3 1.63 35.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.313 0.645 . . . . 73.12 112.408 -176.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 61.4 18.44 9.32 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.507 0.723 . . . . 64.43 112.89 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.643 HD13 ' SG ' ' B' ' 58' ' ' CYS . 48.2 mt -80.24 89.3 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.465 0 N-CA-C 108.538 -0.912 . . . . 72.25 108.538 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . 0.443 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 42.0 mtpt -69.36 -33.19 3.7 Favored Pre-proline 0 CA--C 1.553 1.07 0 CA-C-O 117.616 -1.183 . . . . 73.33 113.445 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -47.96 -39.45 32.5 Favored 'Trans proline' 0 C--N 1.397 3.081 0 C-N-CA 121.941 1.76 . . . . 74.34 112.989 166.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 34.0 tp -80.96 -49.08 11.4 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.103 0.561 . . . . 75.21 110.957 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.443 ' HB3' ' HA ' ' B' ' 101' ' ' LYS . 54.6 tp -56.6 -48.54 77.19 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.399 1.079 . . . . 72.23 111.27 -173.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' B' ' 109' ' ' LYS . 29.1 t70 -62.23 -50.97 69.64 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.573 1.17 . . . . 75.31 110.702 -176.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.28 -45.36 96.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 O-C-N 124.109 0.88 . . . . 74.3 112.05 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.479 HG21 ' HB2' ' B' ' 91' ' ' LEU . 57.0 m -66.58 -46.8 74.78 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.486 0.314 . . . . 75.44 111.039 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 72.9 m -67.03 -29.41 69.22 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.742 -0.663 . . . . 65.22 111.198 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' B' ' 105' ' ' ASP . 0.8 OUTLIER -72.28 -46.9 53.88 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.264 -0.643 . . . . 73.22 109.264 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 96.6 m -61.46 -50.41 72.88 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.206 0.941 . . . . 64.03 111.28 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.43 -33.56 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 O-C-N 123.428 0.455 . . . . 70.44 110.681 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.11 -35.52 69.19 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.242 0.617 . . . . 74.33 111.22 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.513 ' HA ' ' HB3' ' B' ' 116' ' ' ARG . 88.8 m-20 -72.5 -25.03 61.25 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.316 0.646 . . . . 73.33 111.28 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 48.0 mtm -63.21 -38.16 90.07 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.725 0.41 . . . . 75.32 110.712 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 29.8 pt -94.11 -23.18 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.131 0.572 . . . . 70.32 111.084 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . 0.513 ' HB3' ' HA ' ' B' ' 113' ' ' ASN . 60.2 ttt180 -74.68 -46.68 36.29 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.324 1.049 . . . . 75.33 110.813 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.252 0 N-CA-C 110.657 -0.977 . . . . 72.41 110.657 -176.649 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 110.221 -0.289 . . . . 71.22 110.221 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.45 118.44 9.41 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.266 0.626 . . . . 73.54 110.045 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' ' 38' ' ' ASP . 21.9 m -69.28 121.22 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.472 0.653 . . . . 64.53 109.441 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.543 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 64.9 mttm -81.13 83.42 6.79 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.925 -1.034 . . . . 74.43 110.517 -171.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.2 mt -76.0 86.85 2.92 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.457 0.646 . . . . 74.43 110.161 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.16 113.63 16.28 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.708 -1.133 . . . . 70.44 109.751 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.8 p -72.91 175.2 6.79 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.601 0.76 . . . . 64.01 112.296 -176.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 t -61.17 -29.46 69.81 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.032 0.933 . . . . 74.33 110.892 172.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 32.4 t70 -87.95 11.95 14.54 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.059 0.944 . . . . 75.34 111.012 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 74.07 -2.39 2.8 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.667 1.587 . . . . 72.01 113.667 172.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -78.6 123.19 26.85 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 109.968 -0.382 . . . . 72.31 109.968 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.406 HG13 ' HB3' ' A' ' 5' ' ' LYS . 83.9 t -91.2 100.63 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.516 1.126 . . . . 64.11 110.619 -171.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -90.28 93.21 9.25 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.301 0.64 . . . . 75.53 110.166 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.539 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 46.3 mt-10 -74.1 83.97 1.81 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.258 -0.883 . . . . 75.24 109.962 176.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.3 tp -92.66 156.05 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.526 -0.916 . . . . 73.43 108.526 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.62 136.4 58.0 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 109.927 -0.397 . . . . 73.0 109.927 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -56.31 -41.23 75.64 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.056 0.942 . . . . 74.31 111.23 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -60.39 -32.32 71.2 Favored 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.234 0.959 . . . . 75.12 112.668 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 50.2 mt -81.18 -34.17 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.38 0.672 . . . . 73.53 110.052 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.19 -18.8 62.46 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.159 0.584 . . . . 71.55 111.52 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.1 m -71.32 -25.38 62.38 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.251 0.62 . . . . 71.44 111.636 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 86.6 mtp -61.02 -36.88 80.7 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.098 0.559 . . . . 75.55 110.311 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.479 ' HA ' HG12 ' A' ' 100' ' ' ILE . 47.4 t -68.79 109.41 3.85 Favored 'General case' 0 C--N 1.343 0.286 0 N-CA-C 108.41 -0.959 . . . . 74.12 108.41 168.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.446 ' HB ' ' HB2' ' A' ' 99' ' ' ASP . 95.5 t -61.97 -43.36 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 123.731 0.645 . . . . 73.44 110.595 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.425 HG22 ' HE2' ' A' ' 30' ' ' MET . 35.0 m -63.47 -50.38 69.92 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.465 0.706 . . . . 73.35 111.914 -179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.54 -41.22 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 C-N-CA 122.807 0.443 . . . . 74.45 110.113 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -61.77 -40.04 93.76 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.593 0.558 . . . . 74.24 110.465 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -69.61 -29.45 66.97 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.771 0.428 . . . . 75.23 111.026 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.425 ' HE2' HG22 ' A' ' 26' ' ' THR . 66.7 mtt -68.54 -39.55 81.06 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.195 0.598 . . . . 72.2 110.259 174.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.13 -52.94 52.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 124.042 0.937 . . . . 73.43 109.893 176.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.39 -28.95 69.63 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.575 1.15 . . . . 74.3 111.567 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.48 -44.07 97.27 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.724 0.81 . . . . 74.34 110.933 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.13 10.63 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 124.221 1.009 . . . . 72.51 109.403 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.95 -66.58 3.54 Favored Glycine 0 C--N 1.349 1.257 0 N-CA-C 109.547 -1.421 . . . . 71.31 109.547 -172.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -155.8 151.27 27.02 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 123.863 0.865 . . . . 73.44 109.157 168.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.6 m -143.9 89.21 2.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.521 0.729 . . . . 63.14 110.113 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.424 ' HA ' HG12 ' A' ' 4' ' ' VAL . 18.7 t70 -74.09 -27.04 60.7 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.215 1.006 . . . . 64.44 109.623 174.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.0 p -62.47 161.35 27.08 Favored Pre-proline 0 CA--C 1.565 1.549 0 C-N-CA 125.574 1.55 . . . . 75.13 112.641 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.543 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 9.4 Cg_endo -50.56 110.22 0.37 Allowed 'Trans proline' 0 C--N 1.391 2.779 0 C-N-CA 123.642 2.895 . . . . 73.04 114.851 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -89.79 112.55 52.66 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 108.732 -0.84 . . . . 75.01 108.732 173.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -82.49 129.51 5.8 Favored 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 122.728 2.285 . . . . 71.44 111.656 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.62 88.92 4.63 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 108.094 -1.076 . . . . 75.51 108.094 171.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.19 -12.82 21.16 Favored 'Trans proline' 0 C--N 1.379 2.177 0 C-N-CA 122.729 2.286 . . . . 72.3 113.263 -173.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -78.2 -58.21 3.38 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.152 0.581 . . . . 72.22 110.344 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.2 p -89.06 135.66 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 CA-C-O 121.133 0.492 . . . . 72.25 111.235 -172.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.9 p -80.07 175.17 10.87 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.085 0.954 . . . . 73.41 111.336 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 64.2 p -66.24 -47.76 72.74 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.9 0.88 . . . . 64.34 112.555 -174.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.1 p -59.26 -43.43 92.47 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.691 0.796 . . . . 73.42 111.46 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.509 HG23 HD23 ' A' ' 91' ' ' LEU . 46.4 mm -75.65 -47.94 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.242 -0.89 . . . . 72.42 110.276 -177.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.2 tp -61.77 -38.69 88.96 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.402 0.681 . . . . 64.02 111.185 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.19 -51.59 69.11 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.994 0.918 . . . . 63.53 110.61 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -61.9 -45.28 94.4 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 124.42 1.075 . . . . 74.23 111.35 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.28 -40.39 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 123.153 0.581 . . . . 75.34 111.143 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.1 mt -73.0 -35.17 66.78 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.018 0.527 . . . . 70.44 111.427 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.64 -32.64 66.05 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.278 0.631 . . . . 72.42 110.021 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -71.75 -46.85 57.15 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.163 0.585 . . . . 74.14 109.744 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.518 ' SG ' HG22 ' A' ' 100' ' ' ILE . 97.1 m -62.14 -32.0 72.54 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 123.759 0.662 . . . . 71.1 110.766 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 33.2 ttp180 -65.46 -45.94 81.8 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 123.551 0.532 . . . . 75.1 110.491 174.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -65.05 -35.29 80.68 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 123.273 0.358 . . . . 75.1 110.759 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -79.08 -15.84 57.61 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.368 0.667 . . . . 73.31 110.391 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.464 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 42.9 t60 -81.89 -35.36 29.31 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.222 0.609 . . . . 72.42 109.69 173.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 9.2 mm100 -71.05 -33.8 70.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 116.006 -0.543 . . . . 74.11 109.783 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -131.02 91.67 35.7 Favored Pre-proline 0 N--CA 1.475 0.819 0 N-CA-C 108.141 -1.059 . . . . 74.53 108.141 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -61.71 -14.62 37.11 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 123.032 2.488 . . . . 73.14 113.58 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.03 -42.47 0.07 OUTLIER Glycine 0 C--N 1.34 0.794 0 N-CA-C 111.338 -0.705 . . . . 51.42 111.338 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.92 133.51 5.66 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 111.982 -0.447 . . . . 72.54 111.982 -177.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 m -75.0 -5.63 45.02 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.164 0.586 . . . . 75.32 112.228 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.4 104.42 1.21 Allowed Glycine 0 C--N 1.348 1.211 0 O-C-N 123.577 0.548 . . . . 51.52 112.897 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.72 84.7 0.11 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.784 0.833 . . . . 71.23 110.794 174.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.0 t70 65.38 9.25 5.56 Favored 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.987 1.315 . . . . 74.45 110.609 -172.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -92.5 93.65 8.67 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.327 1.051 . . . . 72.31 108.258 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.1 mt -72.55 119.17 73.59 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 114.384 -1.28 . . . . 74.41 109.3 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.86 148.69 91.5 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.712 2.275 . . . . 73.21 111.9 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.93 -35.73 61.39 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.398 2.732 . . . . 70.44 113.761 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -56.27 -55.66 30.58 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 123.914 0.759 . . . . 73.35 110.739 175.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.74 -28.44 64.71 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 124.132 0.895 . . . . 75.0 110.912 -170.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -71.67 -51.03 25.15 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.533 0.733 . . . . 74.24 110.601 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -71.42 -22.27 61.87 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.246 0.619 . . . . 51.35 111.454 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.24 -45.95 89.77 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.795 0.838 . . . . 73.31 110.058 174.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.533 ' HB3' HG23 ' A' ' 110' ' ' THR . 67.4 m -70.62 -18.22 62.88 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 114.694 -1.139 . . . . 73.24 111.699 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -80.65 77.43 7.48 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 121.821 0.819 . . . . 73.33 110.064 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.39 173.59 11.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 C-N-CA 124.531 1.132 . . . . 74.33 108.754 174.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.7 158.87 29.06 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.628 -0.508 . . . . 74.41 109.628 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -62.58 -42.71 80.92 Favored Pre-proline 0 CA--C 1.572 1.803 0 CA-C-O 118.276 -0.869 . . . . 74.01 112.367 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.24 -43.89 32.14 Favored 'Trans proline' 0 C--N 1.393 2.879 0 C-N-CA 121.944 1.763 . . . . 64.53 111.966 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.0 m -65.29 -29.88 70.68 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.189 0.996 . . . . 65.31 111.288 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.5 tt -67.92 -44.93 75.74 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.194 0.998 . . . . 74.32 108.782 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -68.21 -30.37 69.43 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.606 -0.724 . . . . 75.31 111.166 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -61.98 -40.54 95.96 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.906 0.483 . . . . 74.43 111.006 173.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.509 HD23 HG23 ' A' ' 50' ' ' ILE . 98.5 mt -65.55 -42.64 91.65 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 123.481 0.488 . . . . 71.51 110.289 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.2 mt -60.49 -42.43 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.631 0.772 . . . . 74.31 110.629 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 99.3 mt -73.41 -27.86 61.68 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.787 0.835 . . . . 72.42 111.264 -178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.55 -45.54 68.54 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.887 0.475 . . . . 74.54 109.901 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.504 ' HB2' HD13 ' A' ' 103' ' ' LEU . . . -70.81 -27.81 64.17 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.582 0.753 . . . . 75.44 111.52 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -69.75 -41.76 74.78 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.531 1.132 . . . . 71.44 109.589 175.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -74.77 -35.11 62.55 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.442 1.097 . . . . 74.25 111.825 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.9 mt -100.87 -4.74 27.22 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.552 0.575 . . . . 74.15 112.552 -174.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.446 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 65.8 m-20 55.42 31.22 16.45 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.79 1.236 . . . . 52.24 112.346 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.518 HG22 ' SG ' ' A' ' 58' ' ' CYS . 59.3 mt -79.78 94.73 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 109.093 -0.706 . . . . 73.23 109.093 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -57.17 -43.31 99.19 Favored Pre-proline 0 CA--C 1.559 1.324 0 CA-C-O 117.119 -1.42 . . . . 71.3 112.682 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -49.35 -51.5 10.56 Favored 'Trans proline' 0 C--N 1.401 3.312 0 C-N-CA 122.491 2.127 . . . . 74.42 113.901 173.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.504 HD13 ' HB2' ' A' ' 95' ' ' ALA . 2.5 tm? -74.56 -41.05 61.22 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.133 0.573 . . . . 73.1 110.019 -174.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.474 HD12 HD12 ' B' ' 104' ' ' LEU . 43.6 tp -61.62 -47.47 85.26 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.808 0.843 . . . . 73.13 110.421 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.52 -52.58 65.04 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.044 -0.98 . . . . 64.24 110.66 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.11 -51.07 47.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 O-C-N 124.18 0.925 . . . . 64.25 112.413 -173.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.7 m -68.72 -40.34 79.96 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 122.725 0.41 . . . . 75.23 111.976 -171.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.5 m -70.87 -30.75 67.22 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.046 0.451 . . . . 73.32 110.94 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -74.87 -31.93 61.74 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.577 0.751 . . . . 73.53 110.497 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.533 HG23 ' HB3' ' A' ' 81' ' ' CYS . 98.8 m -69.54 -46.28 66.82 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.344 0.658 . . . . 55.51 110.66 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.44 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 6.2 p -63.48 -31.92 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-O 120.956 0.408 . . . . 74.43 110.128 178.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.2 -46.74 79.47 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.463 -0.789 . . . . 74.33 110.587 171.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.4 -34.06 73.39 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.241 0.616 . . . . 74.44 111.545 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.44 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 36.6 mtm -67.9 -43.47 79.2 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.037 0.535 . . . . 75.42 111.194 -178.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.9 pt -75.69 -29.48 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 122.94 0.15 . . . . 73.0 110.783 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -77.41 88.5 3.79 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.302 0.641 . . . . 71.32 109.752 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 N-CA-C 110.547 -1.021 . . . . 75.4 110.547 174.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.288 -0.264 . . . . 74.42 110.288 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.62 119.5 11.25 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.603 0.761 . . . . 74.33 109.979 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.428 HG12 ' HA ' ' B' ' 38' ' ' ASP . 22.0 m -70.04 120.92 18.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 121.516 0.674 . . . . 74.4 109.711 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.538 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 65.5 mttm -80.52 83.85 6.24 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.814 -1.085 . . . . 74.42 110.403 -171.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -76.14 86.81 3.0 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.292 0.567 . . . . 74.05 110.16 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.66 113.92 15.99 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.973 -1.012 . . . . 74.52 109.566 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.3 p -72.85 175.6 6.39 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.404 0.682 . . . . 75.24 112.455 -176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.0 t -60.81 -29.95 69.78 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.926 -1.033 . . . . 75.31 110.999 172.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . 0.436 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 32.9 t70 -88.87 13.68 12.1 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.358 1.063 . . . . 61.32 110.911 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 72.63 -2.31 2.7 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 125.577 1.551 . . . . 74.54 113.667 172.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -78.8 122.79 26.49 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.174 0.443 . . . . 65.41 109.818 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.2 t -90.31 103.71 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.54 1.136 . . . . 70.54 110.397 -172.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -93.13 92.82 7.96 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.71 0.804 . . . . 75.31 110.202 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.538 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 46.8 mt-10 -73.56 84.33 1.54 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.367 -0.833 . . . . 50.23 110.321 176.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.4 tp -93.16 155.95 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 108.533 -0.914 . . . . 74.44 108.533 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.9 135.73 57.69 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 109.717 -0.475 . . . . 74.54 109.717 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -55.54 -41.69 73.56 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.513 1.125 . . . . 75.33 111.176 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -59.22 -33.81 71.43 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.258 1.023 . . . . 74.23 112.407 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 50.0 mt -80.41 -34.22 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.557 0.743 . . . . 73.14 110.046 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.35 -18.69 62.36 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.291 0.637 . . . . 74.41 111.558 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 73.1 m -71.27 -25.2 62.35 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.04 0.536 . . . . 73.44 111.539 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' MET . . . . . 0.444 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 86.1 mtp -61.7 -36.34 80.63 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 121.221 0.534 . . . . 73.23 110.266 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.479 ' HA ' HG12 ' B' ' 100' ' ' ILE . 47.3 t -69.04 109.02 3.78 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.316 -0.994 . . . . 55.13 108.316 168.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.469 ' HB ' ' HB2' ' B' ' 99' ' ' ASP . 91.6 t -61.5 -43.81 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 123.786 0.679 . . . . 74.35 110.609 -177.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.415 HG22 ' HE2' ' B' ' 30' ' ' MET . 35.6 m -63.09 -50.28 71.16 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.417 0.687 . . . . 75.2 111.9 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 81.9 mt -62.6 -40.93 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 122.876 0.471 . . . . 74.24 110.272 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -62.06 -40.05 94.47 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 123.011 0.525 . . . . 74.24 110.412 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -69.43 -29.85 67.66 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.63 0.372 . . . . 73.24 111.195 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.415 ' HE2' HG22 ' B' ' 26' ' ' THR . 66.0 mtt -68.16 -39.43 82.59 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.33 0.652 . . . . 75.5 110.248 174.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.29 -52.85 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 124.011 0.924 . . . . 74.21 109.937 176.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.13 -28.73 69.63 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.481 1.112 . . . . 75.33 111.413 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.5 -43.52 96.97 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.648 0.779 . . . . 73.41 110.934 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 27.9 mt -91.53 9.26 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 CA-C-N 114.986 -1.006 . . . . 71.52 109.372 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.9 -65.79 3.2 Favored Glycine 0 C--N 1.347 1.147 0 N-CA-C 110.051 -1.22 . . . . 61.11 110.051 -173.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -157.0 149.32 23.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.714 0.805 . . . . 72.41 108.917 167.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 74.6 m -142.37 89.62 2.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.489 0.716 . . . . 72.31 110.412 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.428 ' HA ' HG12 ' B' ' 4' ' ' VAL . 18.1 t70 -74.03 -27.84 61.14 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.123 0.969 . . . . 73.12 109.641 174.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.2 p -61.99 160.12 31.96 Favored Pre-proline 0 CA--C 1.564 1.483 0 C-N-CA 125.713 1.605 . . . . 75.44 112.735 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.529 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 9.7 Cg_endo -49.71 110.42 0.37 Allowed 'Trans proline' 0 C--N 1.391 2.81 0 C-N-CA 123.677 2.918 . . . . 75.12 114.874 -177.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mm -89.94 112.12 50.41 Favored Pre-proline 0 CA--C 1.545 0.786 0 N-CA-C 108.851 -0.796 . . . . 74.33 108.851 173.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -82.5 129.54 5.79 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.826 2.351 . . . . 72.32 111.405 177.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.41 88.99 4.47 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 108.071 -1.085 . . . . 73.33 108.071 171.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.41 -11.68 20.75 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.816 2.344 . . . . 73.01 113.415 -173.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -79.47 -57.3 3.76 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.349 0.659 . . . . 54.53 110.536 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 11.3 p -89.49 134.23 29.31 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 CA-C-N 115.984 -0.553 . . . . 72.13 111.235 -172.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.5 p -78.85 174.77 11.15 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.236 1.014 . . . . 74.3 111.158 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.436 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.9 p -66.69 -46.71 74.72 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.592 0.757 . . . . 70.32 112.488 -173.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 58.4 p -59.41 -43.41 93.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.642 0.777 . . . . 64.21 111.554 -175.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.514 HG23 HD23 ' B' ' 91' ' ' LEU . 46.1 mm -75.46 -47.92 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.23 -0.895 . . . . 75.33 110.34 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.89 -39.35 91.65 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.349 0.66 . . . . 73.53 111.168 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.59 -51.49 69.29 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.156 0.982 . . . . 74.12 110.525 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -62.01 -44.96 95.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.843 -1.072 . . . . 74.13 111.536 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.8 -39.78 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.124 0.57 . . . . 72.54 111.029 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.95 -35.81 67.04 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.073 0.549 . . . . 74.23 111.403 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -72.58 -32.6 66.13 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.241 0.616 . . . . 73.13 110.162 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -71.52 -46.91 58.35 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.932 -0.576 . . . . 74.42 109.805 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.513 ' SG ' HG22 ' B' ' 100' ' ' ILE . 97.2 m -62.2 -31.64 72.19 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.78 0.675 . . . . 73.13 110.781 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 34.0 ttp180 -65.85 -45.88 80.53 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.614 0.571 . . . . 75.11 110.339 174.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -64.67 -35.47 81.13 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.32 0.388 . . . . 74.04 110.799 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -79.29 -15.5 57.86 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.669 0.787 . . . . 74.53 110.511 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . 0.444 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 45.7 t60 -81.66 -36.45 28.77 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.29 0.636 . . . . 72.22 109.596 172.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 8.8 mm100 -70.53 -34.38 72.22 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.652 0.595 . . . . 74.23 109.619 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -129.76 92.7 36.6 Favored Pre-proline 0 N--CA 1.474 0.728 0 N-CA-C 108.248 -1.019 . . . . 74.14 108.248 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.05 -11.62 25.75 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.145 2.563 . . . . 72.41 113.693 -177.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -144.49 -41.45 0.05 OUTLIER Glycine 0 C--N 1.342 0.912 0 N-CA-C 111.596 -0.602 . . . . 53.31 111.596 173.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.05 135.86 6.59 Favored Glycine 0 C--N 1.345 1.045 0 C-N-CA 123.187 0.422 . . . . 73.21 112.15 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 25.2 m -76.24 -5.93 49.13 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.665 0.786 . . . . 73.12 111.753 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.31 103.24 0.91 Allowed Glycine 0 C--N 1.348 1.202 0 CA-C-O 119.615 -0.547 . . . . 73.23 112.873 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.94 85.1 0.08 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.859 0.864 . . . . 72.53 110.698 173.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.9 t70 65.45 7.33 4.26 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.889 1.276 . . . . 64.34 110.707 -172.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -91.24 93.62 9.17 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.087 -1.079 . . . . 54.44 108.087 -173.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 65.0 mt -71.95 119.98 77.57 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 114.329 -1.305 . . . . 74.22 109.275 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.25 148.08 93.86 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.653 2.235 . . . . 71.41 112.084 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.54 -34.61 52.88 Favored 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 123.539 2.826 . . . . 64.24 113.829 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -57.09 -55.92 28.41 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 123.039 0.535 . . . . 74.54 110.784 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.39 -28.22 64.92 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.074 0.95 . . . . 62.43 110.942 -170.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -71.87 -51.42 22.42 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.476 0.711 . . . . 73.53 110.625 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -71.17 -22.59 62.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.288 0.635 . . . . 74.32 111.509 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -59.07 -46.03 89.3 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.954 0.902 . . . . 74.42 109.992 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . 0.529 ' HB3' HG23 ' B' ' 110' ' ' THR . 69.9 m -70.52 -18.39 62.94 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.718 -1.128 . . . . 72.22 111.596 -178.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -79.76 75.52 6.44 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 121.663 0.744 . . . . 75.11 110.684 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 m -123.7 174.3 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.183 0.993 . . . . 55.23 108.781 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.86 157.83 29.49 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.695 -0.483 . . . . 73.3 109.695 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -61.7 -43.03 86.66 Favored Pre-proline 0 CA--C 1.569 1.683 0 CA-C-O 118.428 -0.796 . . . . 74.15 112.281 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.39 -44.12 35.43 Favored 'Trans proline' 0 C--N 1.396 3.041 0 C-N-CA 121.858 1.705 . . . . 74.21 112.23 169.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 14.0 m -66.07 -29.42 69.75 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.98 0.912 . . . . 63.23 111.336 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.51 -45.12 76.71 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.154 0.981 . . . . 73.44 108.79 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -68.46 -30.35 69.19 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.631 -0.713 . . . . 74.23 111.093 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -61.99 -40.29 95.12 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.837 0.455 . . . . 72.24 111.027 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.514 HD23 HG23 ' B' ' 50' ' ' ILE . 98.3 mt -65.81 -42.61 90.44 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.575 0.547 . . . . 72.34 110.324 175.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.24 -42.32 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.596 0.758 . . . . 73.55 110.686 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.73 -27.67 61.31 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.67 0.788 . . . . 75.2 111.217 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.64 67.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.858 0.463 . . . . 75.44 109.789 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.505 ' HB2' HD13 ' B' ' 103' ' ' LEU . . . -70.47 -28.09 64.74 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.644 0.777 . . . . 74.44 111.441 177.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -69.9 -41.75 74.3 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.514 1.125 . . . . 65.45 109.431 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -74.74 -34.94 62.63 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.42 1.088 . . . . 72.44 111.646 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.99 -4.69 27.02 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 112.436 0.532 . . . . 72.33 112.436 -173.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.469 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 65.4 m-20 55.81 30.03 15.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.869 1.268 . . . . 74.01 112.526 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.513 HG22 ' SG ' ' B' ' 58' ' ' CYS . 60.0 mt -78.85 94.58 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 109.185 -0.672 . . . . 75.52 109.185 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -56.61 -42.94 98.84 Favored Pre-proline 0 CA--C 1.562 1.405 0 CA-C-O 117.222 -1.37 . . . . 73.43 112.975 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -49.4 -51.95 9.72 Favored 'Trans proline' 0 C--N 1.401 3.3 0 C-N-CA 122.613 2.209 . . . . 64.35 113.935 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' B' ' 95' ' ' ALA . 2.5 tm? -74.57 -40.81 61.41 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.148 0.579 . . . . 72.3 109.935 -174.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.474 HD12 HD12 ' A' ' 104' ' ' LEU . 42.9 tp -61.53 -47.63 84.7 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.78 0.832 . . . . 75.24 110.53 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.92 -52.58 65.15 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 114.957 -1.02 . . . . 70.12 110.695 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 76.1 t -68.32 -51.28 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 123.995 0.809 . . . . 75.15 112.31 -174.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 32.2 m -68.67 -40.05 80.31 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 122.792 0.437 . . . . 64.34 112.096 -171.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 72.8 m -71.24 -30.83 66.81 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 120.937 0.399 . . . . 64.32 111.014 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -74.81 -31.91 61.83 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.573 0.749 . . . . 71.12 110.568 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' THR . . . . . 0.529 HG23 ' HB3' ' B' ' 81' ' ' CYS . 99.7 m -69.3 -46.25 67.63 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 123.476 0.711 . . . . 70.51 110.647 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.431 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 6.7 p -63.87 -31.98 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-O 120.899 0.38 . . . . 75.35 110.101 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.05 78.32 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 115.435 -0.802 . . . . 73.31 110.571 171.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.01 -34.44 73.35 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.114 0.566 . . . . 62.31 111.318 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.431 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 35.2 mtm -67.59 -43.85 79.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.082 0.553 . . . . 75.35 111.019 -178.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.0 pt -75.25 -29.47 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 122.225 0.21 . . . . 62.23 110.487 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 -77.69 89.43 3.97 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.09 0.556 . . . . 74.0 109.851 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.901 0 N-CA-C 110.494 -1.042 . . . . 74.22 110.494 174.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 120.792 0.33 . . . . 74.24 110.278 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 84.0 mt -88.66 119.47 29.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.733 0.813 . . . . 74.04 109.752 177.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.2 m -79.15 127.22 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 121.337 0.589 . . . . 75.14 109.853 173.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 65.3 mttm -79.94 91.82 5.47 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.309 1.044 . . . . 75.34 110.634 -173.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.581 HD23 HD12 ' A' ' 27' ' ' ILE . 10.7 mp -89.78 90.92 8.41 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.098 0.559 . . . . 75.04 109.739 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -77.65 126.3 30.67 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.697 -0.683 . . . . 73.21 109.331 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.1 p -79.18 174.71 11.29 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.053 0.941 . . . . 75.11 110.767 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.5 p -66.14 -21.03 66.32 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.323 0.649 . . . . 72.23 111.244 173.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.52 13.85 9.36 Favored 'General case' 0 CA--C 1.562 1.408 0 C-N-CA 123.848 0.859 . . . . 72.12 110.779 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 67.97 10.86 8.08 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 125.144 1.377 . . . . 74.34 113.057 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -90.34 122.45 33.24 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.58 -0.526 . . . . 73.42 109.58 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.6 t -90.24 98.68 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 123.792 0.837 . . . . 75.44 110.204 -172.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -90.72 96.0 10.42 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.532 0.733 . . . . 75.31 109.45 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.489 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 39.3 mt-10 -78.89 85.29 4.87 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 114.95 -1.023 . . . . 73.35 109.888 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.548 HD13 ' HB3' ' A' ' 55' ' ' LEU . 6.8 tt -86.45 156.11 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.612 0.765 . . . . 74.52 109.579 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.82 134.32 56.92 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 123.56 0.744 . . . . 73.23 109.587 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -63.08 -38.55 91.64 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.328 1.051 . . . . 73.31 112.508 -169.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -64.39 -31.13 72.21 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.206 0.603 . . . . 71.35 111.664 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.0 mt -81.54 -34.04 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 123.652 0.781 . . . . 71.2 110.973 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -27.72 69.53 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.105 0.562 . . . . 75.42 111.794 177.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 81.1 m -66.56 -22.17 66.15 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.046 0.938 . . . . 73.24 112.714 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.488 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 77.6 mtp -63.91 -25.55 68.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.159 0.584 . . . . 72.25 112.101 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 t -80.93 130.17 34.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.573 -0.899 . . . . 72.31 108.573 169.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 57.3 t -63.07 -51.99 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 123.579 0.549 . . . . 75.33 110.108 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.437 ' HB ' ' HA ' ' A' ' 98' ' ' LEU . 87.8 m -60.88 -47.38 86.65 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 123.906 0.754 . . . . 74.12 112.023 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.581 HD12 HD23 ' A' ' 6' ' ' LEU . 83.6 mt -64.73 -42.54 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 122.541 0.337 . . . . 73.2 110.574 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -58.9 -47.58 84.48 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.461 0.704 . . . . 74.31 110.171 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -67.11 -30.41 70.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.342 1.057 . . . . 64.23 111.288 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.2 mmt -65.31 -50.51 65.4 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.475 -0.565 . . . . 73.03 109.475 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.57 -45.01 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.665 0.786 . . . . 72.21 110.248 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.71 -42.2 86.74 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.525 0.73 . . . . 75.22 111.828 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.34 -41.73 89.15 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.721 0.809 . . . . 72.3 110.759 -177.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.5 mt -71.14 -22.32 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.065 0.946 . . . . 74.31 110.515 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.37 60.16 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-N 116.344 -0.389 . . . . 61.43 112.334 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 75.63 116.52 0.06 Allowed 'General case' 0 C--N 1.353 0.724 0 C-N-CA 126.377 1.871 . . . . 75.04 110.633 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.4 m -144.56 150.24 37.16 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.132 0.973 . . . . 63.51 109.387 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -81.48 -3.35 52.79 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.334 0.654 . . . . 72.02 111.074 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 m -52.68 131.07 46.63 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.654 1.181 . . . . 75.12 111.436 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.494 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 33.3 Cg_exo -59.5 106.76 0.33 Allowed 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.633 2.222 . . . . 61.43 111.421 176.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.6 mm -66.62 110.2 4.54 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 124.108 0.963 . . . . 75.32 110.152 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -84.31 133.19 5.4 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.293 1.995 . . . . 75.5 111.556 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -118.47 89.43 36.54 Favored Pre-proline 0 CA--C 1.547 0.863 0 N-CA-C 108.483 -0.932 . . . . 73.12 108.483 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -81.61 57.47 6.38 Favored 'Trans proline' 0 C--N 1.378 2.123 0 C-N-CA 123.516 2.81 . . . . 73.45 112.352 -174.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -159.88 -62.47 0.07 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.493 -0.928 . . . . 74.23 108.493 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.02 124.21 37.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 115.623 -0.717 . . . . 75.35 110.018 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.5 p -76.96 175.08 9.88 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.916 0.886 . . . . 74.44 110.731 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 p -64.93 -46.64 80.8 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.853 0.461 . . . . 72.45 111.946 -175.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.9 p -61.39 -43.66 98.48 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.532 0.733 . . . . 73.31 111.222 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.608 HG21 HD22 ' A' ' 91' ' ' LEU . 51.8 mm -73.07 -44.57 56.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.737 -0.665 . . . . 73.33 110.409 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 tp -65.02 -34.09 77.61 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.947 0.499 . . . . 64.34 110.952 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.14 -50.58 72.38 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.037 0.935 . . . . 63.11 109.767 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' HD2' HD21 ' A' ' 91' ' ' LEU . 67.6 mttm -61.62 -48.31 81.47 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.31 1.006 . . . . 75.3 111.249 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.469 HG11 HD11 ' A' ' 98' ' ' LEU . 55.6 t -58.61 -49.03 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.256 -0.883 . . . . 73.44 111.015 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.548 ' HB3' HD13 ' A' ' 16' ' ' ILE . 68.9 mt -71.13 -29.57 65.4 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.64 0.587 . . . . 75.34 111.976 -176.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -72.09 -40.05 68.49 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.174 0.589 . . . . 73.31 109.416 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -71.54 -37.4 71.14 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.296 0.638 . . . . 75.5 110.925 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 96.3 m -60.99 -39.53 90.01 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.569 0.543 . . . . 63.23 109.677 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 44.3 ttm180 -61.68 -48.1 82.3 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 122.913 0.485 . . . . 74.5 110.85 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -54.46 -48.71 71.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.626 0.77 . . . . 73.24 111.635 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.468 ' HB3' ' HE3' ' A' ' 23' ' ' MET . 64.4 t-80 -75.09 -17.33 60.47 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.224 -0.898 . . . . 73.32 110.887 -178.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.488 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 16.9 t60 -80.92 -40.32 24.79 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.799 0.44 . . . . 73.35 110.16 176.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 10.9 mm100 -75.6 -27.88 58.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.454 0.702 . . . . 74.14 110.234 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -124.58 75.21 63.29 Favored Pre-proline 0 CA--C 1.551 1.013 0 N-CA-C 108.411 -0.959 . . . . 75.11 108.411 173.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -95.61 25.57 0.3 Allowed 'Trans proline' 0 C--N 1.382 2.326 0 C-N-CA 123.487 2.791 . . . . 73.13 112.829 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.73 -66.88 2.2 Favored Glycine 0 C--N 1.351 1.371 0 O-C-N 123.612 0.57 . . . . 74.11 112.136 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.46 -1.18 29.5 Favored Glycine 0 C--N 1.351 1.408 0 N-CA-C 114.354 0.502 . . . . 65.23 114.354 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.0 p -83.08 72.21 10.12 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.988 0.915 . . . . 62.32 109.652 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.35 -48.2 3.88 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 114.83 -1.077 . . . . 74.04 112.502 -174.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 pp 48.11 26.98 1.13 Allowed 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 126.173 1.789 . . . . 75.4 113.195 -173.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.22 -82.83 0.02 OUTLIER 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.09 1.356 . . . . 74.25 110.776 -175.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -148.66 163.76 36.35 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 107.439 -1.319 . . . . 75.42 107.439 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mm -58.73 116.16 14.38 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 123.042 0.537 . . . . 74.21 110.528 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.74 154.11 51.56 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 123.152 2.568 . . . . 65.1 112.945 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.65 -37.98 54.54 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 123.843 3.029 . . . . 72.24 113.267 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -53.3 -50.91 63.94 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.912 0.757 . . . . 73.22 111.66 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.22 -33.38 74.31 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.844 0.857 . . . . 74.21 111.023 -172.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -64.39 -49.02 73.24 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.454 -0.794 . . . . 73.22 109.975 173.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.85 -23.47 63.29 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.553 -0.748 . . . . 64.41 112.182 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -64.74 -42.68 95.02 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.752 0.821 . . . . 73.21 109.59 172.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.42 ' HB3' HG23 ' A' ' 110' ' ' THR . 84.9 m -79.2 -17.68 54.4 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.017 -0.992 . . . . 72.22 111.946 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -76.33 82.22 3.09 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.406 -0.59 . . . . 71.1 109.406 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.1 m -126.45 175.62 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.05 0.94 . . . . 74.04 109.722 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.49 151.4 46.46 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 109.163 -0.681 . . . . 71.44 109.163 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -53.36 61.06 Favored Pre-proline 0 CA--C 1.568 1.67 0 CA-C-O 118.374 -0.822 . . . . 72.22 112.167 -164.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.483 ' HA ' HD11 ' B' ' 115' ' ' ILE . 36.5 Cg_endo -66.5 -30.27 43.73 Favored 'Trans proline' 0 C--N 1.387 2.563 0 CA-C-N 121.557 1.592 . . . . 71.14 113.072 172.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.3 m -61.31 -31.29 71.14 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.947 0.899 . . . . 72.0 111.372 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.69 -43.22 98.02 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.806 0.842 . . . . 71.55 109.413 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.486 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 41.7 m-85 -74.63 -31.1 61.88 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.633 -0.712 . . . . 72.52 111.706 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 37.2 mm-40 -63.84 -32.01 73.38 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.858 0.463 . . . . 63.22 110.33 173.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.608 HD22 HG21 ' A' ' 50' ' ' ILE . 69.7 mt -71.49 -36.78 71.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.83 0.852 . . . . 71.34 111.264 172.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.68 -43.08 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 123.428 0.691 . . . . 75.23 110.005 174.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 84.2 mt -69.56 -37.78 77.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.686 0.795 . . . . 72.52 110.662 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.97 -32.3 61.66 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.564 0.746 . . . . 70.14 111.616 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.468 ' HB1' HD22 ' A' ' 103' ' ' LEU . . . -74.21 -28.51 61.29 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.125 0.57 . . . . 75.2 111.08 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -78.84 -36.74 41.99 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.697 0.799 . . . . 55.31 110.287 171.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -65.63 -37.93 87.98 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.554 1.142 . . . . 74.54 111.129 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.469 HD11 HG11 ' A' ' 54' ' ' VAL . 87.9 mt -100.68 -9.33 21.96 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.818 0.847 . . . . 75.45 111.088 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.496 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 29.9 t0 59.57 37.19 22.76 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.346 1.458 . . . . 71.11 112.35 173.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -83.41 105.12 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.806 -0.813 . . . . 65.33 108.806 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -59.13 -48.66 96.04 Favored Pre-proline 0 CA--C 1.565 1.554 0 CA-C-O 117.931 -1.033 . . . . 72.15 112.602 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.81 -50.7 10.83 Favored 'Trans proline' 0 C--N 1.402 3.354 0 C-N-CA 122.324 2.016 . . . . 75.03 112.679 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.468 HD22 ' HB1' ' A' ' 95' ' ' ALA . 3.6 tt -65.22 -43.97 89.76 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.945 0.498 . . . . 73.33 110.23 -175.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.54 HD22 HD22 ' B' ' 104' ' ' LEU . 40.5 tp -63.04 -41.7 99.56 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.154 0.582 . . . . 73.11 110.666 -178.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.94 -53.08 35.33 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.55 0.532 . . . . 71.25 110.187 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.58 -47.41 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.782 0.833 . . . . 75.23 111.66 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.0 m -72.13 -39.89 68.5 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.83 0.452 . . . . 73.34 111.701 -175.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 82.6 m -67.45 -30.88 70.72 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.492 0.317 . . . . 72.42 111.121 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -71.71 -39.13 70.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.236 0.614 . . . . 75.52 110.188 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.42 HG23 ' HB3' ' A' ' 81' ' ' CYS . 98.8 m -57.03 -48.01 79.53 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.208 0.603 . . . . 74.02 111.413 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.502 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 7.7 p -72.75 -35.15 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 116.344 -0.389 . . . . 74.31 111.219 177.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 116' ' ' ARG . . . -60.83 -48.03 83.67 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 123.144 0.578 . . . . 60.42 111.024 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -59.72 -28.42 67.33 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.95 0.9 . . . . 74.4 112.392 -173.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.502 ' HE3' ' HA ' ' A' ' 111' ' ' VAL . 43.1 mtm -66.78 -43.83 82.95 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.175 0.59 . . . . 73.43 110.372 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.5 pt -101.38 -2.95 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.057 0.943 . . . . 74.45 111.84 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 112' ' ' ALA . 1.8 tmt_? -96.98 41.13 1.12 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 108.14 -1.059 . . . . 70.14 108.14 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.509 0 N-CA-C 116.206 1.242 . . . . 61.33 116.206 178.089 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.055 0.455 . . . . 72.23 110.641 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.488 ' HB3' ' HB3' ' B' ' 15' ' ' GLU . 88.0 mt -88.86 118.73 28.78 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.288 -0.869 . . . . 73.05 109.811 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.2 m -78.86 126.44 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-O 121.204 0.526 . . . . 72.24 109.914 173.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.498 ' HB2' ' HA ' ' B' ' 40' ' ' PRO . 64.6 mttm -78.84 92.09 4.82 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.336 1.054 . . . . 74.11 110.736 -174.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.583 HD23 HD12 ' B' ' 27' ' ' ILE . 10.6 mp -89.73 91.03 8.48 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.619 -0.511 . . . . 73.51 109.619 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.9 126.6 31.08 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.749 -0.66 . . . . 75.22 109.51 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.2 p -79.46 175.63 10.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.983 0.913 . . . . 74.0 110.752 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.2 p -67.24 -21.02 65.75 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.492 0.717 . . . . 71.02 111.491 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -87.43 13.56 9.76 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 123.981 0.912 . . . . 65.13 110.732 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 68.2 10.9 8.12 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.109 1.364 . . . . 73.12 113.07 173.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -90.62 122.6 33.55 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.853 0.461 . . . . 72.35 109.82 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 48.8 t -89.78 98.05 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 123.997 0.919 . . . . 74.31 110.596 -173.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -90.32 96.76 10.82 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.501 0.72 . . . . 73.34 109.242 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.495 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 39.5 mt-10 -80.52 84.73 6.06 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.372 -0.831 . . . . 72.15 109.798 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.546 HD13 ' HB3' ' B' ' 55' ' ' LEU . 6.7 tt -85.72 155.92 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 115.637 -0.71 . . . . 72.34 109.621 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.05 133.51 56.16 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 123.574 0.75 . . . . 75.11 109.759 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -62.1 -39.2 91.69 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.466 1.106 . . . . 73.21 112.52 -169.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.72 -31.38 72.53 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.346 0.658 . . . . 73.3 111.873 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mt -81.66 -33.6 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.704 0.802 . . . . 75.4 110.907 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.68 69.4 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.011 0.524 . . . . 75.43 111.849 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 64.2 m -66.62 -22.68 66.11 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.126 0.971 . . . . 70.42 112.63 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' MET . . . . . 0.487 ' HE3' ' HB3' ' B' ' 61' ' ' HIS . 80.3 mtp -62.4 -29.64 70.64 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.289 0.635 . . . . 72.4 111.87 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.406 ' HA ' HG12 ' B' ' 100' ' ' ILE . 29.1 t -77.66 129.36 35.47 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.61 -0.885 . . . . 74.4 108.61 170.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 58.5 t -63.83 -50.52 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 123.705 0.628 . . . . 72.13 110.133 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.453 ' HB ' ' HA ' ' B' ' 98' ' ' LEU . 87.4 m -61.43 -47.99 83.24 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.341 0.656 . . . . 72.53 112.091 -177.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.583 HD12 HD23 ' B' ' 6' ' ' LEU . 83.2 mt -64.25 -42.37 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 122.623 0.369 . . . . 73.3 110.497 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -59.08 -47.6 84.65 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.364 0.665 . . . . 74.4 110.276 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -66.91 -30.4 70.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.181 0.992 . . . . 75.42 111.31 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 21.9 mmt -65.1 -50.47 65.98 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 109.605 -0.517 . . . . 73.12 109.605 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -59.05 -44.65 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.649 0.78 . . . . 75.4 110.225 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -66.54 -41.71 88.29 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.36 0.664 . . . . 75.14 111.628 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.64 -42.15 82.74 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.692 0.797 . . . . 71.3 110.741 -176.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 86.4 mt -69.84 -23.04 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 CA-C-N 115.019 -0.991 . . . . 74.33 110.471 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.71 18.62 58.05 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.208 -0.451 . . . . 75.43 112.261 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 74.7 114.95 0.06 Allowed 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.328 1.851 . . . . 74.21 111.114 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 66.2 m -143.38 151.0 39.9 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 124.284 1.034 . . . . 64.03 109.567 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -81.1 -5.11 57.27 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.594 0.758 . . . . 64.32 111.064 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -51.86 131.04 38.65 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.384 1.073 . . . . 64.31 111.457 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.498 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 32.4 Cg_exo -59.62 106.37 0.31 Allowed 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.755 2.303 . . . . 72.1 111.726 177.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 45.5 mm -66.54 109.77 3.88 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 124.118 0.967 . . . . 74.22 110.099 -177.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.65 132.69 4.96 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 122.314 2.009 . . . . 72.41 111.281 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.4 mt -117.7 89.71 33.82 Favored Pre-proline 0 CA--C 1.55 0.95 0 N-CA-C 108.701 -0.851 . . . . 71.15 108.701 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -81.38 57.4 6.41 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.722 2.948 . . . . 71.23 112.585 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -159.83 -63.69 0.07 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.326 -0.99 . . . . 72.41 108.326 -175.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -78.7 124.33 36.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 CA-C-N 115.817 -0.629 . . . . 73.51 110.175 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 73.8 p -76.54 175.1 9.56 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.888 0.875 . . . . 64.4 110.972 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 71.1 p -65.22 -46.1 82.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.943 0.497 . . . . 74.2 111.897 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.405 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 35.2 p -61.1 -43.86 98.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.521 0.729 . . . . 72.24 111.188 -178.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.612 HG21 HD22 ' B' ' 91' ' ' LEU . 51.7 mm -73.67 -44.66 52.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 115.689 -0.687 . . . . 74.55 110.404 -175.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.79 -34.08 77.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.039 0.536 . . . . 75.03 110.753 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.0 -51.41 69.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.916 0.886 . . . . 71.1 109.357 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.503 ' HD2' HD21 ' B' ' 91' ' ' LEU . 67.4 mttm -60.58 -48.8 80.15 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.294 -0.867 . . . . 73.14 111.303 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.485 HG11 HD11 ' B' ' 98' ' ' LEU . 55.5 t -58.33 -49.4 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 124.323 1.014 . . . . 74.02 111.084 -174.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.546 ' HB3' HD13 ' B' ' 16' ' ' ILE . 68.7 mt -70.62 -29.42 65.8 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.222 0.609 . . . . 73.53 112.061 -175.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -72.48 -39.75 67.46 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.4 0.68 . . . . 74.13 109.694 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -72.11 -37.2 69.55 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.699 -0.682 . . . . 74.35 111.009 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 95.3 m -60.99 -39.84 91.21 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.632 0.582 . . . . 72.55 109.664 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 45.0 ttm180 -61.52 -47.87 83.62 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.414 0.446 . . . . 75.22 110.852 175.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -54.58 -48.77 71.7 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.625 0.77 . . . . 72.34 111.581 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.487 ' HB3' ' HE3' ' B' ' 23' ' ' MET . 65.2 t-80 -74.95 -16.87 60.63 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.245 -0.889 . . . . 74.43 111.019 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . 0.48 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 15.7 t60 -82.09 -38.45 24.84 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.974 0.51 . . . . 71.44 110.497 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 10.6 mm100 -76.29 -27.96 56.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.46 0.704 . . . . 73.02 110.162 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -125.46 76.49 69.11 Favored Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 108.408 -0.96 . . . . 75.11 108.408 173.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -96.72 28.48 0.19 Allowed 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 123.488 2.792 . . . . 74.33 112.642 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.76 -66.53 2.25 Favored Glycine 0 C--N 1.35 1.336 0 N-CA-C 111.684 -0.567 . . . . 71.2 111.684 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.05 -1.6 23.64 Favored Glycine 0 C--N 1.35 1.336 0 N-CA-C 114.422 0.529 . . . . 63.44 114.422 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.6 p -82.66 74.09 9.65 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.192 0.997 . . . . 72.51 109.262 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.24 -47.92 3.93 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 114.981 -1.009 . . . . 74.12 112.675 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp 47.03 26.71 0.65 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 126.539 1.936 . . . . 72.33 113.294 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 63.15 -82.54 0.02 OUTLIER 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.197 1.399 . . . . 74.31 110.486 -175.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -147.98 164.56 33.4 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.802 1.241 . . . . 70.12 107.751 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 37.8 mm -59.78 115.94 14.85 Favored Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 123.895 0.747 . . . . 73.22 110.314 177.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.9 152.61 56.59 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.188 2.592 . . . . 73.54 112.932 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -49.0 -39.64 40.59 Favored 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 123.554 2.836 . . . . 70.03 113.24 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -52.27 -51.09 60.48 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.463 0.705 . . . . 73.41 111.742 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.48 -32.94 74.12 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.866 0.866 . . . . 62.32 111.242 -172.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -64.95 -48.45 74.02 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.408 -0.815 . . . . 72.25 109.975 173.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -70.34 -23.65 62.85 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.837 0.71 . . . . 70.22 111.915 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -64.57 -42.31 95.72 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.639 0.776 . . . . 63.44 109.652 172.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . 0.407 ' HB3' HG23 ' B' ' 110' ' ' THR . 73.8 m -80.06 -15.49 57.06 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.169 -0.923 . . . . 63.12 111.887 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -77.9 83.37 4.23 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 109.388 -0.597 . . . . 72.33 109.388 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 24.7 m -127.91 175.44 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.149 0.98 . . . . 71.11 109.934 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.9 151.21 46.23 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.605 0.762 . . . . 72.24 109.244 175.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -54.79 49.21 Favored Pre-proline 0 CA--C 1.567 1.602 0 CA-C-O 118.378 -0.82 . . . . 74.15 112.218 -165.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . 0.412 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 38.1 Cg_endo -66.69 -29.43 43.1 Favored 'Trans proline' 0 C--N 1.387 2.574 0 CA-C-N 121.585 1.602 . . . . 75.14 112.621 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -60.84 -31.38 70.82 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.043 0.937 . . . . 75.32 111.39 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.13 -43.19 99.27 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.133 0.973 . . . . 74.31 109.392 175.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.448 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 48.8 m-85 -73.81 -31.09 63.07 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.563 -0.744 . . . . 64.21 111.552 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 37.2 mm-40 -64.15 -32.25 73.75 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.931 0.492 . . . . 72.52 110.492 174.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.612 HD22 HG21 ' B' ' 50' ' ' ILE . 70.2 mt -71.34 -36.97 71.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.879 0.871 . . . . 74.32 111.215 172.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.53 -43.78 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 123.51 0.724 . . . . 72.51 109.999 174.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 90.0 mt -69.24 -37.26 77.9 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.767 0.827 . . . . 74.23 110.625 -177.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.09 -32.33 61.42 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.388 0.675 . . . . 74.15 111.586 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.455 ' HB1' HD22 ' B' ' 103' ' ' LEU . . . -74.47 -28.82 61.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.073 0.549 . . . . 72.23 111.174 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -78.35 -36.85 45.59 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.637 0.775 . . . . 75.54 110.199 170.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -65.06 -38.09 89.68 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.192 0.997 . . . . 64.51 111.22 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.485 HD11 HG11 ' B' ' 54' ' ' VAL . 89.7 mt -100.5 -8.77 22.77 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.817 0.847 . . . . 71.0 111.112 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.492 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 24.0 t0 59.73 35.85 22.24 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.449 1.5 . . . . 64.41 112.105 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.406 HG12 ' HA ' ' B' ' 24' ' ' SER . 54.8 mt -82.59 105.81 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.788 -0.819 . . . . 74.14 108.788 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . 0.412 ' HB2' ' HD3' ' B' ' 102' ' ' PRO . 72.9 mmtt -59.28 -49.51 92.33 Favored Pre-proline 0 CA--C 1.566 1.564 0 CA-C-O 118.202 -0.904 . . . . 72.52 112.724 -174.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' B' ' 101' ' ' LYS . 50.9 Cg_exo -56.7 -50.52 11.46 Favored 'Trans proline' 0 C--N 1.401 3.302 0 C-N-CA 122.315 2.01 . . . . 75.12 112.695 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.455 HD22 ' HB1' ' B' ' 95' ' ' ALA . 3.6 tt -65.32 -43.99 89.25 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.979 0.512 . . . . 75.2 110.195 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.54 HD22 HD22 ' A' ' 104' ' ' LEU . 39.9 tp -63.34 -41.56 98.87 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.197 0.599 . . . . 74.1 110.673 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -67.24 -52.2 43.83 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.591 0.557 . . . . 70.32 110.286 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.65 -47.85 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.816 0.847 . . . . 73.32 111.75 -176.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 33.6 m -71.79 -40.05 69.47 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 122.839 0.456 . . . . 74.5 111.648 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 78.5 m -67.52 -30.78 70.53 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.569 0.348 . . . . 64.21 111.173 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -71.49 -38.75 71.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.112 0.565 . . . . 75.42 110.285 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' THR . . . . . 0.407 HG23 ' HB3' ' B' ' 81' ' ' CYS . 99.2 m -57.18 -47.85 80.22 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.082 0.553 . . . . 72.54 111.319 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.523 ' HA ' ' HE3' ' B' ' 114' ' ' MET . 7.3 p -74.02 -34.28 38.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 115.946 -0.57 . . . . 65.54 111.168 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' B' ' 116' ' ' ARG . . . -61.7 -47.49 85.05 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.105 0.562 . . . . 73.4 111.045 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -59.28 -28.27 66.59 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.921 0.888 . . . . 75.35 112.257 -173.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.523 ' HE3' ' HA ' ' B' ' 111' ' ' VAL . 44.5 mtm -67.23 -44.23 79.99 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.421 0.689 . . . . 75.43 110.417 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . 0.483 HD11 ' HA ' ' A' ' 86' ' ' PRO . 27.9 pt -101.29 -7.78 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.179 -0.919 . . . . 72.14 112.432 -172.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' B' ' 112' ' ' ALA . 2.2 tmt_? -81.48 -9.33 59.73 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.279 0.631 . . . . 71.41 110.112 -175.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 118.555 2.182 . . . . 72.12 118.555 174.714 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 110.338 -0.245 . . . . 44.31 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.3 mt -80.0 128.76 33.87 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.376 0.67 . . . . 74.33 109.643 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 m -89.49 127.31 42.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 121.361 0.601 . . . . 72.35 109.468 175.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.542 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 60.6 mttp -82.88 109.08 16.69 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.332 1.053 . . . . 74.3 110.317 -175.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.494 HD21 HD11 ' A' ' 27' ' ' ILE . 11.3 mp -105.48 99.02 8.64 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.199 0.6 . . . . 72.44 109.395 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -79.06 124.18 28.04 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.24 -0.652 . . . . 65.33 109.24 174.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 p -82.2 179.96 7.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.553 0.741 . . . . 65.34 111.163 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 m -68.19 -17.93 64.45 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.045 0.938 . . . . 75.3 111.72 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.548 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 31.1 t70 -95.15 14.76 21.01 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.924 0.89 . . . . 74.54 110.163 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 67.02 12.97 9.29 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 124.781 1.232 . . . . 64.25 112.931 175.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -92.28 121.86 34.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.146 0.579 . . . . 75.22 110.049 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.5 t -90.21 119.85 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 123.786 0.834 . . . . 73.41 109.492 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -112.01 104.14 12.38 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.051 0.94 . . . . 75.44 108.497 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.542 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 32.8 mt-10 -82.93 78.5 9.5 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.725 0.81 . . . . 62.25 109.58 -177.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.447 HD11 ' HB3' ' A' ' 55' ' ' LEU . 6.2 tt -79.75 149.54 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.308 -0.86 . . . . 73.34 109.735 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -57.66 124.51 19.34 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.936 0.894 . . . . 73.3 109.697 171.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -55.57 -41.81 73.86 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.102 0.961 . . . . 75.13 112.022 -173.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.05 -35.11 70.86 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.158 0.983 . . . . 52.01 111.573 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 59' ' ' ARG . 51.6 mt -81.72 -35.22 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.951 -1.022 . . . . 72.45 110.78 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.76 -17.86 64.68 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.414 0.685 . . . . 71.31 111.739 175.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 70.9 m -70.17 -23.69 63.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.853 0.861 . . . . 72.21 112.632 176.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.0 mtm -66.44 -29.97 70.22 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 121.085 0.469 . . . . 73.15 110.545 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.55 ' HA ' HG12 ' A' ' 100' ' ' ILE . 48.1 t -76.26 114.54 15.05 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 108.109 -1.071 . . . . 73.14 108.109 168.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.413 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 35.7 t -63.43 -47.66 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 O-C-N 123.672 0.608 . . . . 75.0 110.437 -175.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.3 m -62.55 -49.8 73.88 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.267 0.627 . . . . 60.34 112.106 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.494 HD11 HD21 ' A' ' 6' ' ' LEU . 97.6 mt -61.5 -43.46 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 123.072 0.549 . . . . 74.32 110.312 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 23.3 ttpp -59.01 -45.33 90.94 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.485 0.714 . . . . 74.45 110.483 176.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -69.28 -30.3 68.36 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.406 0.682 . . . . 72.22 111.368 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.2 mtt -63.76 -47.0 82.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.244 0.618 . . . . 75.23 109.542 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.82 -44.53 98.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.892 0.877 . . . . 73.35 110.259 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.94 -40.35 91.29 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.58 0.752 . . . . 75.15 111.466 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -66.02 -44.19 85.45 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.782 0.833 . . . . 73.44 110.524 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.2 mm -66.9 -32.01 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.502 0.721 . . . . 70.21 110.108 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.15 16.98 65.89 Favored Glycine 0 C--N 1.348 1.236 0 N-CA-C 111.349 -0.701 . . . . 53.24 111.349 -169.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 71.92 141.05 0.05 Allowed 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.436 1.894 . . . . 64.31 111.139 -175.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.5 t -150.1 160.91 43.29 Favored 'General case' 0 C--O 1.244 0.77 0 C-N-CA 123.268 0.627 . . . . 73.33 109.386 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -76.05 -12.98 60.22 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.5 -0.773 . . . . 63.12 110.51 172.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -64.98 123.91 85.18 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 123.469 0.708 . . . . 70.23 110.696 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -59.07 117.84 4.64 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.834 2.356 . . . . 74.13 111.846 173.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.75 110.51 3.5 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.686 0.794 . . . . 73.34 109.736 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -90.01 116.61 0.64 Allowed 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.635 2.223 . . . . 71.12 111.902 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -98.25 100.46 9.06 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 108.593 -0.891 . . . . 72.54 108.593 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -87.77 41.86 0.71 Allowed 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 123.309 2.673 . . . . 74.33 112.549 -174.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -140.05 -54.2 0.53 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.769 0.827 . . . . 74.24 109.368 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.6 p -88.49 130.58 37.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 123.182 0.593 . . . . 74.51 110.782 -174.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.3 p -78.64 175.27 10.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.232 1.013 . . . . 74.43 111.092 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.548 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 52.0 p -63.29 -48.49 77.89 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.784 0.661 . . . . 53.22 112.784 -174.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 58.3 p -65.79 -39.98 91.49 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.121 0.568 . . . . 71.12 110.95 -176.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.555 HG21 HD23 ' A' ' 91' ' ' LEU . 50.2 mm -74.8 -41.95 47.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.764 -0.653 . . . . 73.1 110.397 -176.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 6' ' ' LEU . 44.7 tp -66.63 -44.53 81.76 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.83 -0.433 . . . . 71.25 109.83 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -55.16 -45.5 75.69 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.82 0.7 . . . . 73.14 110.303 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 49' ' ' THR . 25.1 tttp -66.56 -46.52 75.77 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 114.055 -1.43 . . . . 75.3 110.559 -173.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.409 HG13 HD12 ' A' ' 98' ' ' LEU . 55.3 t -63.09 -47.91 90.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.106 0.879 . . . . 54.35 110.719 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.456 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 82.5 mt -65.17 -42.59 93.55 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.707 0.629 . . . . 75.44 110.945 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.44 -32.81 66.61 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.697 0.799 . . . . 71.34 110.72 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.432 ' HA ' ' HE2' ' A' ' 76' ' ' TYR . 78.4 t80 -62.76 -45.67 91.62 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.532 -0.758 . . . . 75.33 110.282 171.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 99.2 m -63.55 -37.25 86.6 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 124.222 0.951 . . . . 62.01 110.577 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.547 ' HA ' HD12 ' A' ' 20' ' ' ILE . 75.3 mtp180 -67.49 -47.91 68.65 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.07 0.548 . . . . 75.23 110.246 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -61.36 -43.16 99.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.811 0.844 . . . . 73.0 111.249 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -73.79 -25.44 60.13 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.629 -0.714 . . . . 74.54 110.095 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -76.77 -31.89 57.34 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.867 0.467 . . . . 75.22 110.1 174.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -82.73 -10.88 58.7 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.561 0.744 . . . . 73.42 111.33 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -130.03 75.31 79.61 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 123.772 0.829 . . . . 73.42 109.359 171.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.43 100.46 1.37 Allowed 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 122.767 2.311 . . . . 75.45 110.35 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.26 -96.08 0.1 Allowed Glycine 0 C--N 1.336 0.582 0 N-CA-C 111.754 -0.538 . . . . 43.31 111.754 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.27 61.3 3.73 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 112.328 -0.309 . . . . 74.45 112.328 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.7 m -138.82 98.11 3.48 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.979 0.512 . . . . 70.51 111.856 -174.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.407 ' N ' ' HB2' ' A' ' 72' ' ' ASP . . . 71.17 -82.76 0.43 Allowed Glycine 0 C--N 1.35 1.311 0 CA-C-N 115.96 -0.564 . . . . 62.33 113.976 173.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.2 mt -75.95 -47.97 23.02 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.442 0.697 . . . . 74.44 110.051 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -95.41 18.5 12.48 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.694 0.798 . . . . 75.24 110.783 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' HB2' ' N ' ' A' ' 69' ' ' GLY . 20.4 t70 -64.65 -47.48 78.32 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.963 0.905 . . . . 74.31 110.924 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.7 mt -115.94 89.35 24.23 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 108.026 -1.101 . . . . 73.12 108.026 170.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.58 152.33 56.25 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.367 2.711 . . . . 73.12 112.619 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -46.75 -52.13 8.04 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.945 3.096 . . . . 75.12 113.537 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.432 ' HE2' ' HA ' ' A' ' 57' ' ' TYR . 81.4 t80 -62.04 -41.63 98.32 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.934 0.493 . . . . 71.55 111.803 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.84 -28.25 68.84 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.977 0.511 . . . . 72.31 110.909 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.34 -39.15 54.74 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.601 0.76 . . . . 70.43 109.388 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -69.51 -22.93 63.55 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 123.781 0.833 . . . . 75.52 111.283 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -65.41 -34.08 77.45 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.442 1.097 . . . . 72.42 110.102 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 63.6 m -80.14 -7.33 58.87 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.096 0.959 . . . . 74.3 111.96 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -79.94 72.92 6.72 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.734 0.814 . . . . 74.44 110.921 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 m -142.72 156.87 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.812 0.845 . . . . 64.23 110.393 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.37 158.83 33.24 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.237 -0.892 . . . . 74.0 109.357 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -51.0 -55.57 26.8 Favored Pre-proline 0 CA--C 1.564 1.49 0 CA-C-O 117.163 -1.399 . . . . 74.34 113.44 -173.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.491 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 72.2 Cg_exo -51.46 -48.21 22.39 Favored 'Trans proline' 0 C--N 1.393 2.875 0 C-N-CA 121.988 1.792 . . . . 72.03 112.025 176.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.5 m -63.02 -33.39 75.32 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.027 0.931 . . . . 75.2 111.781 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 tt -72.33 -43.84 63.52 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.206 1.003 . . . . 74.14 109.626 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -73.45 -26.55 60.98 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.305 0.642 . . . . 71.25 111.007 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 56.5 mm-40 -60.73 -35.08 75.47 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.811 0.444 . . . . 73.33 111.008 169.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.555 HD23 HG21 ' A' ' 50' ' ' ILE . 96.4 mt -68.26 -34.37 76.08 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.236 0.615 . . . . 73.41 111.304 175.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.3 mt -70.54 -42.77 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 123.539 0.736 . . . . 71.54 110.276 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.37 -35.92 82.44 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.87 0.868 . . . . 72.44 110.335 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.96 -33.61 59.79 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.468 0.707 . . . . 62.31 110.908 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.72 70.15 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.732 0.413 . . . . 53.02 110.956 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -79.69 -42.25 25.13 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.81 0.844 . . . . 75.43 110.602 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.17 -40.78 90.75 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.854 0.862 . . . . 74.22 110.944 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.409 HD12 HG13 ' A' ' 54' ' ' VAL . 72.7 mt -90.97 -5.51 55.32 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.52 0.728 . . . . 74.54 110.945 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.413 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 5.8 t70 62.32 26.86 16.07 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.365 1.466 . . . . 75.02 111.577 172.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.55 HG12 ' HA ' ' A' ' 24' ' ' SER . 14.3 mt -81.92 89.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.566 0 N-CA-C 108.379 -0.971 . . . . 74.34 108.379 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -58.77 -42.79 96.11 Favored Pre-proline 0 CA--C 1.565 1.545 0 CA-C-O 117.924 -1.036 . . . . 72.51 113.485 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.4 ' O ' HG22 ' A' ' 106' ' ' VAL . 18.2 Cg_endo -59.63 -40.93 60.7 Favored 'Trans proline' 0 C--N 1.388 2.615 0 CA-C-N 121.543 1.587 . . . . 64.41 112.695 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.15 -44.24 84.7 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.145 0.578 . . . . 73.23 110.386 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.43 -45.09 76.79 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.435 1.085 . . . . 74.24 110.076 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.27 -48.85 74.12 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.061 0.944 . . . . 71.12 111.477 -177.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 102' ' ' PRO . 74.0 t -57.02 -48.93 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.343 0.657 . . . . 72.41 110.929 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.6 m -70.41 -31.18 68.27 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.275 0.63 . . . . 72.34 111.824 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 88.7 m -72.72 -29.5 63.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.5 0.72 . . . . 74.15 111.244 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -39.73 63.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.041 0.536 . . . . 75.23 109.696 174.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -59.26 -49.89 76.09 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.528 0.731 . . . . 73.14 111.686 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.544 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 26.5 m -63.14 -37.8 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 122.412 0.285 . . . . 75.42 110.735 178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.39 -27.9 68.21 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.548 0.739 . . . . 73.52 111.767 178.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -80.55 -33.49 36.2 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.772 0.829 . . . . 72.42 111.53 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.544 ' HE3' ' HA ' ' A' ' 111' ' ' VAL . 49.7 mtm -71.23 -39.18 71.86 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.088 0.471 . . . . 75.01 110.704 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' B' ' 86' ' ' PRO . 19.7 pt -89.29 -2.35 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.479 0.712 . . . . 74.31 111.586 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -59.48 98.69 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.398 0.679 . . . . 75.1 111.516 -168.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 CA-C-N 115.323 -0.853 . . . . 65.0 111.349 177.07 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 120.941 0.401 . . . . 73.13 111.337 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 78.8 mt -77.98 128.04 33.28 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.954 -0.567 . . . . 72.44 109.623 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.7 m -89.59 126.95 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-O 121.388 0.613 . . . . 75.31 109.369 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.536 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 61.3 mttp -82.44 110.38 17.51 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.113 0.965 . . . . 74.41 110.52 -176.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.51 HD21 HD11 ' B' ' 27' ' ' ILE . 11.2 mp -106.36 98.67 8.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.484 0.714 . . . . 61.31 109.422 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -79.38 123.63 27.67 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.351 -0.611 . . . . 74.21 109.351 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 64.1 p -82.09 -179.95 7.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.602 0.761 . . . . 74.43 111.389 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -67.65 -20.46 65.32 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.718 0.807 . . . . 72.33 111.644 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . 0.558 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 36.3 t70 -92.14 13.23 19.6 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.177 0.991 . . . . 75.23 110.62 175.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 68.43 11.9 8.52 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 125.022 1.329 . . . . 75.44 113.028 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -90.51 121.84 32.81 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.281 0.632 . . . . 75.42 110.012 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 51.7 t -90.13 118.82 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.825 0.85 . . . . 75.51 109.521 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -111.35 104.87 13.36 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 124.127 0.971 . . . . 74.24 108.386 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 32.6 mt-10 -84.16 78.99 9.67 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.356 -0.838 . . . . 75.04 109.352 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.428 HD11 ' HB3' ' B' ' 55' ' ' LEU . 6.0 tt -79.71 149.49 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.298 -0.865 . . . . 75.23 109.69 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.31 124.44 18.9 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.083 0.953 . . . . 74.52 109.686 171.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -55.84 -41.55 74.44 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.959 0.904 . . . . 75.21 112.059 -173.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -58.39 -34.4 70.68 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.989 0.915 . . . . 73.34 111.67 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' B' ' 59' ' ' ARG . 50.5 mt -82.31 -34.76 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 115.056 -0.975 . . . . 75.53 110.818 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.37 -17.77 64.32 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.392 0.677 . . . . 64.12 111.74 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . 0.461 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 85.9 m -70.44 -23.23 62.68 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.966 0.906 . . . . 73.21 112.828 176.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 19.5 mtm -66.33 -29.96 70.26 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.151 0.501 . . . . 72.54 110.689 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.564 ' HA ' HG12 ' B' ' 100' ' ' ILE . 48.3 t -76.75 114.46 15.54 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.003 -1.11 . . . . 74.14 108.003 168.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.41 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 37.8 t -63.34 -47.48 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 O-C-N 123.837 0.711 . . . . 73.25 110.529 -175.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 89.0 m -62.16 -50.38 72.07 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.335 0.654 . . . . 72.11 112.182 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.51 HD11 HD21 ' B' ' 6' ' ' LEU . 97.5 mt -61.51 -43.5 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.251 0.62 . . . . 74.25 110.239 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' B' ' 22' ' ' CYS . 22.9 ttpp -59.04 -45.46 90.71 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.488 0.715 . . . . 74.41 110.512 176.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -69.08 -29.9 68.1 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.429 0.692 . . . . 74.11 111.419 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.5 mtt -64.18 -47.02 81.43 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.192 0.597 . . . . 73.02 109.612 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 82.8 mt -63.52 -44.8 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 C-N-CA 123.977 0.911 . . . . 70.24 110.145 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.18 -39.11 89.47 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.563 0.745 . . . . 75.13 111.666 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.7 -43.89 79.01 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.544 0.738 . . . . 74.45 110.442 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.79 -31.72 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.464 0.706 . . . . 72.12 110.218 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.64 18.1 66.75 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.781 -0.645 . . . . 70.41 111.663 -169.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 71.16 141.49 0.05 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.619 1.968 . . . . 74.12 111.245 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 44.5 t -151.18 160.48 43.83 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.67 0.788 . . . . 63.32 109.427 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.57 -11.07 59.82 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.253 0.621 . . . . 74.25 110.67 173.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -65.4 124.09 86.15 Favored Pre-proline 0 CA--C 1.559 1.323 0 C-N-CA 123.544 0.738 . . . . 65.31 110.214 175.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.78 117.67 4.43 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.947 2.431 . . . . 75.04 111.862 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -62.84 110.58 3.6 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 123.938 0.895 . . . . 75.22 109.468 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -91.25 114.7 0.41 Allowed 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.497 2.132 . . . . 73.5 112.072 -178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mp -96.19 101.47 8.66 Favored Pre-proline 0 CA--C 1.558 1.287 0 N-CA-C 108.761 -0.829 . . . . 75.02 108.761 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -88.05 42.52 0.74 Allowed 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.551 2.834 . . . . 63.42 112.49 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -141.67 -52.68 0.44 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.552 0.741 . . . . 74.03 109.959 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 p -89.86 130.68 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 CA-C-N 115.651 -0.704 . . . . 71.51 110.777 -175.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 68.3 p -78.88 175.57 10.39 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.917 0.887 . . . . 63.43 110.987 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.558 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 43.3 p -62.61 -49.19 76.21 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.192 0.597 . . . . 63.3 112.582 -174.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' B' ' 53' ' ' LYS . 56.4 p -65.58 -40.46 92.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.213 0.605 . . . . 74.33 110.986 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.549 HG21 HD23 ' B' ' 91' ' ' LEU . 50.6 mm -74.73 -41.52 47.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 CA-C-N 115.924 -0.58 . . . . 74.45 110.329 -176.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' B' ' 6' ' ' LEU . 46.1 tp -66.87 -44.85 79.87 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.805 -0.443 . . . . 71.11 109.805 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -55.1 -45.25 75.47 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.525 0.73 . . . . 75.32 110.039 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' B' ' 49' ' ' THR . 23.4 tttp -66.46 -46.38 76.57 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.234 -1.348 . . . . 75.14 110.62 -172.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.414 HG13 HD12 ' B' ' 98' ' ' LEU . 54.8 t -63.36 -47.7 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 124.15 0.906 . . . . 70.33 110.699 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' B' ' 59' ' ' ARG . 82.0 mt -65.49 -42.62 91.99 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.598 0.561 . . . . 75.32 110.839 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.94 -32.52 67.41 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.758 0.823 . . . . 63.52 110.437 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . 0.43 ' HA ' ' HE2' ' B' ' 76' ' ' TYR . 78.5 t80 -63.65 -45.86 88.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.748 0.819 . . . . 75.24 110.297 171.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.17 -37.65 88.05 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.223 0.952 . . . . 54.23 110.512 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.533 ' HA ' HD12 ' B' ' 20' ' ' ILE . 76.3 mtp180 -66.88 -47.64 71.21 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.042 0.537 . . . . 73.14 110.397 179.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -61.24 -43.77 98.34 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.63 0.772 . . . . 72.3 111.553 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -74.07 -25.06 59.62 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.518 -0.764 . . . . 65.25 109.908 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -76.67 -32.6 58.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.85 0.46 . . . . 53.33 110.111 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 82.3 mm-40 -81.6 -11.9 58.94 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.644 0.778 . . . . 72.33 111.453 177.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -129.04 76.81 78.81 Favored Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 123.978 0.911 . . . . 73.31 109.477 171.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.95 100.13 1.33 Allowed 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 122.886 2.391 . . . . 73.14 111.176 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -169.06 -95.05 0.1 OUTLIER Glycine 0 C--N 1.338 0.677 0 CA-C-N 115.927 -0.578 . . . . 71.22 111.691 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.25 62.98 3.45 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.615 -0.594 . . . . 70.31 111.615 -174.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 50.2 m -138.61 96.73 3.2 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.141 0.576 . . . . 75.41 111.969 -175.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.418 ' N ' ' HB2' ' B' ' 72' ' ' ASP . . . 71.85 -81.92 0.53 Allowed Glycine 0 C--N 1.349 1.255 0 CA-C-N 116.062 -0.517 . . . . 71.24 113.934 172.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 77.3 mt -76.06 -48.08 22.2 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.637 0.775 . . . . 63.32 110.019 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -96.25 18.7 13.19 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.886 0.875 . . . . 63.34 110.701 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . 0.418 ' HB2' ' N ' ' B' ' 69' ' ' GLY . 21.5 t70 -64.88 -47.54 77.46 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.266 1.027 . . . . 71.41 110.752 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 55.1 mt -115.51 89.61 22.89 Favored Pre-proline 0 CA--C 1.551 0.982 0 N-CA-C 108.084 -1.08 . . . . 75.32 108.084 170.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.5 151.43 61.96 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.415 2.744 . . . . 74.25 112.719 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -45.75 -52.56 6.71 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.911 3.074 . . . . 75.23 113.619 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . 0.43 ' HE2' ' HA ' ' B' ' 57' ' ' TYR . 81.6 t80 -61.21 -41.91 97.67 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.178 0.591 . . . . 73.33 111.792 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.96 -28.35 68.84 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.211 0.604 . . . . 75.52 110.821 -177.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -75.91 -39.17 56.84 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.55 0.74 . . . . 74.45 109.48 173.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -70.03 -22.95 63.05 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.796 0.838 . . . . 75.31 111.471 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.8 -34.72 79.03 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.362 1.065 . . . . 75.25 110.019 176.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.9 m -79.17 -8.72 59.22 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.091 -0.959 . . . . 74.41 111.89 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -79.13 74.31 5.69 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.766 0.826 . . . . 73.53 110.886 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 m -143.86 157.67 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.931 0.892 . . . . 71.22 109.954 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -75.13 158.88 32.36 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.955 0.902 . . . . 74.14 109.462 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -50.78 -54.87 31.91 Favored Pre-proline 0 N--CA 1.489 1.483 0 CA-C-O 117.269 -1.348 . . . . 73.31 113.087 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . 0.574 ' HA ' HD12 ' A' ' 115' ' ' ILE . 72.9 Cg_exo -50.98 -50.04 15.12 Favored 'Trans proline' 0 C--N 1.394 2.971 0 CA-C-N 121.981 1.743 . . . . 74.52 112.518 175.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.0 m -62.06 -33.02 73.62 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 123.972 0.909 . . . . 75.22 111.97 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tt -72.67 -44.16 62.17 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.02 0.928 . . . . 75.32 109.854 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -74.5 -26.09 59.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.974 -0.557 . . . . 72.43 111.266 177.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 52.9 mm-40 -59.89 -34.74 73.58 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.641 0.376 . . . . 75.5 110.887 169.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.549 HD23 HG21 ' B' ' 50' ' ' ILE . 96.4 mt -68.43 -34.36 75.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.333 0.653 . . . . 71.33 111.43 174.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 54.4 mt -70.7 -42.34 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 C-N-CA 123.63 0.772 . . . . 75.05 110.089 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.46 -36.53 84.18 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.981 0.913 . . . . 75.11 110.469 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.97 -33.39 59.77 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.547 0.739 . . . . 71.12 110.86 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.3 -31.87 70.65 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.783 0.433 . . . . 73.54 111.035 177.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -79.78 -42.43 24.48 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.561 0.744 . . . . 74.4 110.294 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -66.76 -37.69 85.1 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.513 0.725 . . . . 74.52 111.243 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.414 HD12 HG13 ' B' ' 54' ' ' VAL . 74.1 mt -93.23 -3.99 52.73 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.279 0.632 . . . . 73.42 111.017 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.41 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 9.8 t70 60.87 26.13 16.02 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.298 1.439 . . . . 62.13 111.697 173.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.564 HG12 ' HA ' ' B' ' 24' ' ' SER . 14.3 mt -81.36 89.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 108.472 -0.936 . . . . 74.03 108.472 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -58.67 -42.6 95.22 Favored Pre-proline 0 CA--C 1.564 1.489 0 C-N-CA 124.252 1.021 . . . . 75.34 113.497 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.6 -40.98 60.54 Favored 'Trans proline' 0 C--N 1.39 2.712 0 CA-C-N 121.641 1.622 . . . . 70.4 112.876 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 62.4 tp -66.19 -44.37 84.14 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.105 0.562 . . . . 75.33 110.312 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -54.59 -45.97 73.68 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.388 1.055 . . . . 65.45 110.238 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.46 -47.61 78.41 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.351 1.032 . . . . 71.12 111.315 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 72.8 t -57.87 -49.18 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.181 0.593 . . . . 75.01 110.765 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 8.9 m -70.27 -30.76 67.87 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 123.323 0.649 . . . . 74.14 111.926 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.8 -29.44 63.26 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.585 0.754 . . . . 74.54 111.182 176.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -74.19 -40.1 62.74 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.932 0.493 . . . . 74.3 109.711 174.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.2 m -58.96 -49.71 76.83 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 123.458 0.703 . . . . 72.52 111.57 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.514 ' HA ' ' HE3' ' B' ' 114' ' ' MET . 30.9 m -63.37 -37.8 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.371 0.268 . . . . 74.24 111.014 177.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.49 -28.81 68.86 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.563 0.745 . . . . 53.45 111.393 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.29 -34.4 42.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.965 0.906 . . . . 75.11 111.696 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.514 ' HE3' ' HA ' ' B' ' 111' ' ' VAL . 51.4 mtm -70.76 -39.03 73.5 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 121.09 0.471 . . . . 74.0 110.588 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.8 pt -89.14 -1.38 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.683 0.793 . . . . 72.11 111.642 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -60.61 96.76 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.479 0.712 . . . . 74.53 111.593 -170.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 CA-C-N 115.451 -0.795 . . . . 64.41 111.122 176.787 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.473 0.686 0 N-CA-C 110.124 -0.324 . . . . 75.31 110.124 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 mt -73.44 117.41 15.16 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 122.86 0.464 . . . . 73.22 110.465 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.8 m -83.65 126.11 40.15 Favored 'Isoleucine or valine' 0 C--O 1.244 0.816 0 N-CA-C 108.767 -0.827 . . . . 71.35 108.767 170.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.479 ' HD2' ' HG3' ' A' ' 40' ' ' PRO . 91.3 mttt -90.35 88.58 7.25 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.552 -0.749 . . . . 71.33 109.987 -173.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.4 mt -83.54 94.45 8.05 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.458 -0.792 . . . . 74.51 109.727 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -79.27 133.73 36.65 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.151 -0.685 . . . . 75.14 109.151 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 p -84.75 176.57 8.46 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.739 0.815 . . . . 72.33 111.037 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.6 p -68.93 -22.84 64.12 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.722 0.809 . . . . 62.55 110.98 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -84.76 5.69 27.4 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 124.47 1.108 . . . . 74.32 110.855 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 67.57 20.41 9.69 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.599 1.56 . . . . 74.43 112.954 173.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -88.05 122.35 31.53 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 109.344 -0.613 . . . . 75.23 109.344 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -91.03 105.26 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.181 0.993 . . . . 74.05 109.964 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -93.25 102.18 14.46 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.642 0.777 . . . . 74.43 109.229 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 34.4 mt-10 -82.87 78.6 9.44 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 123.699 0.8 . . . . 72.14 109.597 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.578 HD13 ' HB3' ' A' ' 55' ' ' LEU . 13.8 tt -93.85 150.12 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.133 0.973 . . . . 74.31 109.392 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 138.86 58.63 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.374 0.669 . . . . 64.4 109.955 -178.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.61 -37.74 79.39 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.755 0.659 . . . . 75.14 111.419 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -54.23 -36.97 64.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.793 0.837 . . . . 74.32 111.628 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.0 mt -78.09 -38.81 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.392 -0.822 . . . . 75.02 109.9 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.47 -9.47 58.61 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.035 0.934 . . . . 73.14 112.514 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -70.65 -32.34 69.6 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.054 0.542 . . . . 71.21 110.842 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.5 mtm -63.57 -31.29 72.41 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.338 0.589 . . . . 75.32 110.365 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.419 ' HA ' HG12 ' A' ' 100' ' ' ILE . 33.1 t -76.08 104.85 6.81 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.705 -1.134 . . . . 72.33 108.193 168.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.8 -38.07 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.589 0.556 . . . . 75.41 111.682 -171.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.8 m -64.37 -42.73 96.02 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.384 0.273 . . . . 72.43 111.219 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.417 ' O ' HG13 ' A' ' 31' ' ' ILE . 87.1 mt -67.17 -45.25 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.133 0.573 . . . . 73.3 110.042 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -56.21 -44.59 79.65 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.859 0.864 . . . . 74.4 110.43 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -68.01 -32.51 72.94 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.132 -0.94 . . . . 72.11 111.329 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.1 mtt -68.57 -36.98 79.49 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 123.77 0.669 . . . . 74.55 110.683 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 27' ' ' ILE . 83.7 mt -64.18 -46.2 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.19 -0.67 . . . . 73.04 109.19 176.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.66 -32.23 71.92 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.847 0.859 . . . . 71.1 111.568 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.59 -43.86 79.52 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.567 1.147 . . . . 73.51 110.747 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -80.03 -20.88 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 124.387 1.075 . . . . 74.23 110.205 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.86 -46.7 1.37 Allowed Glycine 0 C--N 1.346 1.118 0 N-CA-C 110.049 -1.221 . . . . 64.51 110.049 -172.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -162.19 108.67 1.29 Allowed 'General case' 0 C--O 1.244 0.815 0 C-N-CA 124.885 1.274 . . . . 74.05 107.914 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB3' HD11 ' A' ' 41' ' ' ILE . 53.0 m -75.64 80.27 2.62 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.637 0.732 . . . . 73.15 109.821 175.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.89 -35.98 57.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 114.808 -1.087 . . . . 61.53 109.61 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 p -78.47 149.52 75.33 Favored Pre-proline 0 CA--C 1.555 1.154 0 CA-C-N 115.131 -0.941 . . . . 73.12 111.003 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HG3' ' HD2' ' A' ' 5' ' ' LYS . 52.5 Cg_exo -57.45 130.3 38.38 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 123.163 2.576 . . . . 74.35 112.238 175.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.402 HD11 ' HB3' ' A' ' 37' ' ' SER . 49.7 mm -91.46 109.05 33.46 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 123.307 0.643 . . . . 72.01 109.346 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.96 129.83 10.9 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.675 2.25 . . . . 60.15 110.551 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.2 mt -114.63 93.35 32.57 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 108.067 -1.086 . . . . 73.54 108.067 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -82.33 35.57 0.58 Allowed 'Trans proline' 0 C--N 1.381 2.238 0 C-N-CA 123.493 2.795 . . . . 73.15 112.748 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -133.38 -66.44 0.65 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.308 1.043 . . . . 74.42 108.872 -174.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -79.78 126.47 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-N 115.625 -0.716 . . . . 74.31 110.28 -175.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.3 p -73.54 169.48 17.15 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.518 0.727 . . . . 73.33 111.034 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -62.11 -45.17 94.67 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.543 0.737 . . . . 71.21 111.694 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 35.8 p -57.03 -51.15 70.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 124.4 1.063 . . . . 73.44 111.236 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.533 HG21 HD23 ' A' ' 91' ' ' LEU . 51.5 mm -73.18 -42.7 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 115.996 -0.547 . . . . 72.55 110.725 -175.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 tp -62.55 -35.37 79.23 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.15 0.58 . . . . 75.45 110.56 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.44 -47.11 87.21 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.36 0.664 . . . . 63.21 110.102 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HE2' HG11 ' A' ' 83' ' ' VAL . 27.5 mtpp -64.68 -45.59 86.01 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.25 0.968 . . . . 73.24 111.643 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -63.6 -46.01 96.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.336 -0.847 . . . . 72.23 110.295 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.578 ' HB3' HD13 ' A' ' 16' ' ' ILE . 71.2 mt -72.95 -30.79 64.13 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.909 -0.587 . . . . 74.23 111.527 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.17 -36.83 69.38 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.277 0.631 . . . . 73.15 110.279 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -69.74 -32.49 71.06 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.046 -0.524 . . . . 75.5 109.923 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 90.6 m -68.51 -35.11 77.02 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.951 -0.568 . . . . 50.21 110.613 173.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 64.1 mtm180 -68.53 -34.75 76.41 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.942 0.497 . . . . 73.34 110.213 173.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -58.51 -50.42 73.82 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 124.102 0.876 . . . . 62.01 109.593 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.55 -24.37 61.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.163 0.585 . . . . 74.34 111.503 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -73.3 -48.67 32.65 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.248 0.547 . . . . 74.34 111.057 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -96.54 -19.24 19.23 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.789 -1.096 . . . . 72.3 110.846 -169.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -131.83 81.52 62.81 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 107.498 -1.297 . . . . 70.01 107.498 170.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -56.11 -67.58 0.07 OUTLIER 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.9 2.4 . . . . 75.22 112.525 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.9 -40.84 2.68 Favored Glycine 0 C--N 1.356 1.657 0 C-N-CA 123.171 0.415 . . . . 62.34 113.119 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.92 -71.23 3.05 Favored Glycine 0 C--N 1.351 1.407 0 N-CA-C 110.292 -1.123 . . . . 52.41 110.292 -172.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.6 m -149.63 98.62 2.78 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.143 0.977 . . . . 62.31 108.78 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.34 53.87 4.7 Favored Glycine 0 C--N 1.351 1.414 0 N-CA-C 111.517 -0.633 . . . . 42.02 111.517 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.12 -26.72 66.83 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.167 1.387 . . . . 74.34 112.52 -172.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -132.49 66.18 1.56 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.831 -0.803 . . . . 70.03 108.831 173.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -155.86 -74.71 0.1 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.328 -0.851 . . . . 75.34 108.895 174.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.7 mp 51.46 89.29 0.1 Allowed Pre-proline 0 CA--C 1.562 1.407 0 C-N-CA 124.931 1.292 . . . . 71.03 110.834 -175.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.7 158.0 25.75 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 123.133 2.555 . . . . 74.24 112.919 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -45.12 -49.95 9.41 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 124.206 3.271 . . . . 72.33 113.961 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.63 -40.22 68.73 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.498 0.719 . . . . 74.35 111.795 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.57 -35.64 75.55 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.773 0.67 . . . . 72.51 111.126 -175.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -62.67 -53.36 55.59 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.513 0.508 . . . . 75.54 109.804 170.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -62.03 -31.17 71.53 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.841 0.856 . . . . 73.51 111.93 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.03 -42.44 89.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.149 0.979 . . . . 74.23 109.733 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 67.1 m -75.63 -26.67 57.95 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.886 -1.052 . . . . 54.3 111.275 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -81.52 74.65 8.51 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.266 0.626 . . . . 74.44 109.708 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.571 HG11 ' HE2' ' A' ' 53' ' ' LYS . 31.2 m -125.79 169.09 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.625 1.17 . . . . 75.33 109.002 175.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -67.86 160.56 28.15 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.565 0.746 . . . . 74.54 111.087 -173.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -54.19 -51.58 76.29 Favored Pre-proline 0 CA--C 1.567 1.621 0 C-N-CA 124.281 1.032 . . . . 75.44 113.3 -173.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.44 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 38.2 Cg_endo -64.81 -35.33 45.72 Favored 'Trans proline' 0 C--N 1.39 2.751 0 C-N-CA 121.733 1.622 . . . . 73.45 112.259 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.9 m -61.88 -32.73 73.12 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.14 0.976 . . . . 72.43 111.883 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.63 -48.69 78.73 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.113 0.965 . . . . 74.31 110.552 173.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -69.16 -30.45 68.68 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.748 -0.66 . . . . 75.24 111.537 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 12.8 mm-40 -63.51 -39.6 94.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.965 0.506 . . . . 73.33 110.65 175.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.533 HD23 HG21 ' A' ' 50' ' ' ILE . 96.3 mt -69.02 -34.86 75.93 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.456 -0.793 . . . . 74.31 110.853 175.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 82.0 mt -66.83 -44.53 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.581 0.752 . . . . 74.14 110.265 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.54 -41.02 89.33 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.736 0.814 . . . . 74.24 110.712 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.93 -38.06 72.89 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.679 0.791 . . . . 65.44 111.601 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.466 ' HB1' HD11 ' A' ' 103' ' ' LEU . . . -72.2 -28.69 63.35 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.276 0.63 . . . . 71.41 111.653 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -78.86 -38.46 37.78 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.896 0.478 . . . . 75.25 109.756 173.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -64.37 -43.82 93.29 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.786 0.835 . . . . 75.14 111.815 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.2 -8.78 35.21 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.777 0.831 . . . . 71.43 111.69 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.8 t0 50.16 68.94 0.67 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.73 1.212 . . . . 72.11 110.968 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.419 HG12 ' HA ' ' A' ' 24' ' ' SER . 30.4 mt -117.99 92.71 2.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 107.092 -1.447 . . . . 73.13 107.092 172.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.94 -35.89 14.46 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 118.219 -0.896 . . . . 74.2 113.042 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -50.76 -33.5 40.75 Favored 'Trans proline' 0 C--N 1.397 3.114 0 C-N-CA 122.255 1.97 . . . . 72.13 113.768 166.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.466 HD11 ' HB1' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -80.28 -50.9 9.57 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 109.287 -0.635 . . . . 75.22 109.287 176.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.9 -51.52 69.33 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.554 1.142 . . . . 71.23 111.721 -170.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.72 -39.29 93.4 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 124.591 1.182 . . . . 74.14 111.611 -173.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.51 -45.19 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.51 0.724 . . . . 75.52 110.762 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.7 m -69.05 -31.06 69.56 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 122.832 0.453 . . . . 73.4 110.943 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 85.2 m -70.28 -33.43 71.56 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.631 0.772 . . . . 74.44 110.729 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -69.94 -39.73 75.91 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.069 0.548 . . . . 72.23 110.133 174.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.8 m -61.12 -52.9 62.94 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.829 0.706 . . . . 64.4 111.154 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.516 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 35.1 m -67.03 -32.63 58.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.626 -0.715 . . . . 75.44 111.189 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.62 86.9 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.206 0.602 . . . . 75.33 110.824 175.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -67.78 -25.69 65.73 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.561 0.744 . . . . 75.34 111.759 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.516 ' HE3' ' HA ' ' A' ' 111' ' ' VAL . 38.9 mtm -69.88 -48.69 57.77 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.899 0.381 . . . . 75.0 110.634 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 43.9 pt -85.14 -4.89 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-N 115.606 -0.724 . . . . 74.04 112.235 -177.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -63.41 96.2 0.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.963 1.305 . . . . 74.44 111.112 -176.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 CA-C-O 118.59 -1.117 . . . . 75.25 110.718 173.521 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 110.429 -0.211 . . . . 73.02 110.429 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -75.95 116.91 17.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.81 0.444 . . . . 75.22 110.378 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -82.57 126.1 39.98 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 N-CA-C 108.76 -0.83 . . . . 73.05 108.76 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.46 ' HD2' ' HG3' ' B' ' 40' ' ' PRO . 91.2 mttt -90.91 87.71 6.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.452 -0.794 . . . . 73.04 109.785 -172.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.15 94.61 7.88 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.176 -0.92 . . . . 72.14 109.577 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -79.21 133.92 36.68 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.097 -0.705 . . . . 74.34 109.097 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.0 p -85.67 175.99 8.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.786 0.835 . . . . 65.31 111.014 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.9 p -68.12 -23.13 64.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.699 0.799 . . . . 65.54 110.935 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -84.24 5.24 27.37 Favored 'General case' 0 CA--C 1.563 1.463 0 C-N-CA 124.395 1.078 . . . . 73.24 110.693 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 68.43 19.9 8.7 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.793 1.637 . . . . 74.35 112.885 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -88.32 121.85 31.17 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 109.474 -0.565 . . . . 73.31 109.474 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.7 t -90.41 107.15 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.21 1.004 . . . . 73.44 109.524 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.37 102.29 14.09 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 123.878 0.871 . . . . 71.25 109.133 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.405 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 37.8 mt-10 -83.02 77.54 9.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.753 0.821 . . . . 71.1 109.344 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.563 HD13 ' HB3' ' B' ' 55' ' ' LEU . 13.3 tt -92.91 151.17 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.629 0.772 . . . . 73.11 109.462 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.16 138.42 58.26 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.738 0.815 . . . . 63.34 109.754 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.413 ' HE3' HG23 ' B' ' 31' ' ' ILE . 81.0 tttt -59.09 -37.94 78.34 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.302 0.641 . . . . 72.15 111.259 -177.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.92 -35.95 64.71 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.997 0.919 . . . . 74.41 111.795 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 mt -78.87 -38.43 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 115.276 -0.874 . . . . 74.31 109.748 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.64 -9.47 58.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.026 0.93 . . . . 70.41 112.527 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.8 m -70.65 -31.75 68.79 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.075 0.55 . . . . 74.15 110.846 172.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 33.5 mtm -64.06 -31.22 72.33 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 121.248 0.547 . . . . 71.23 110.346 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.419 ' HA ' HG12 ' B' ' 100' ' ' ILE . 33.4 t -76.63 105.5 7.73 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.096 -1.076 . . . . 63.52 108.096 169.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 63.2 t -67.37 -37.8 79.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 123.112 0.565 . . . . 73.42 111.604 -171.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.6 m -64.07 -43.41 95.54 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 122.515 0.326 . . . . 72.21 111.134 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.407 ' O ' HG13 ' B' ' 31' ' ' ILE . 86.2 mt -66.82 -45.01 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.166 0.586 . . . . 75.12 110.159 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -56.66 -44.71 81.65 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.716 0.806 . . . . 72.12 110.4 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -67.57 -32.64 73.53 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.221 -0.9 . . . . 72.11 111.222 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.7 mtt -68.05 -37.43 81.32 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.037 0.535 . . . . 74.42 110.712 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.413 HG23 ' HE3' ' B' ' 18' ' ' LYS . 83.1 mt -64.24 -45.6 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 109.386 -0.598 . . . . 71.2 109.386 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -69.54 -31.2 69.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.692 0.797 . . . . 74.41 111.535 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.53 -44.33 74.82 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.145 0.978 . . . . 61.22 110.592 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 72.5 mt -78.39 -24.08 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 124.537 1.135 . . . . 74.32 110.011 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.19 -43.02 1.77 Allowed Glycine 0 C--N 1.348 1.207 0 N-CA-C 110.394 -1.082 . . . . 62.03 110.394 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -165.07 108.97 0.87 Allowed 'General case' 0 C--O 1.24 0.569 0 C-N-CA 125.2 1.4 . . . . 61.42 107.761 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.423 ' HB3' HD11 ' B' ' 41' ' ' ILE . 50.8 m -75.98 80.24 2.85 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 121.24 0.543 . . . . 73.43 110.226 174.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -76.74 -37.28 56.25 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.074 -0.966 . . . . 75.42 109.581 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -76.6 149.02 80.63 Favored Pre-proline 0 CA--C 1.553 1.091 0 CA-C-N 115.031 -0.986 . . . . 65.33 110.928 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.46 ' HG3' ' HD2' ' B' ' 5' ' ' LYS . 52.0 Cg_exo -56.31 131.49 46.12 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.074 2.516 . . . . 74.35 112.445 175.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' B' ' 37' ' ' SER . 49.4 mm -92.25 107.9 26.78 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 123.297 0.639 . . . . 73.12 109.529 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.03 129.46 11.46 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.659 2.239 . . . . 71.01 110.601 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.9 mt -114.77 93.47 33.72 Favored Pre-proline 0 CA--C 1.549 0.928 0 N-CA-C 108.193 -1.04 . . . . 64.5 108.193 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.04 34.12 0.54 Allowed 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.722 2.948 . . . . 74.11 112.974 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -132.52 -65.2 0.73 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.295 1.038 . . . . 74.3 109.198 -174.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.5 126.36 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 115.549 -0.75 . . . . 74.41 110.24 -175.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 39.2 p -73.37 169.84 16.31 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.599 0.76 . . . . 74.11 110.888 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 59.8 p -61.68 -46.54 89.27 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.429 0.691 . . . . 71.22 111.489 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 33.9 p -56.85 -50.04 73.65 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 124.621 1.201 . . . . 73.43 111.248 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.52 HG21 HD23 ' B' ' 91' ' ' LEU . 51.0 mm -73.4 -42.89 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.016 -0.538 . . . . 74.4 110.709 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -62.65 -34.85 77.9 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.095 0.558 . . . . 74.14 110.624 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.62 -47.16 86.67 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.524 0.73 . . . . 74.44 109.895 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.56 ' HE2' HG11 ' B' ' 83' ' ' VAL . 27.8 mtpp -65.52 -45.18 84.5 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 124.3 1.0 . . . . 71.24 111.332 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.7 t -63.63 -46.09 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 O-C-N 123.996 0.81 . . . . 73.41 110.352 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.563 ' HB3' HD13 ' B' ' 16' ' ' ILE . 69.7 mt -72.7 -31.04 64.72 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.206 0.602 . . . . 64.44 111.281 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -71.53 -37.92 71.11 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.584 0.754 . . . . 70.43 110.432 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.83 -32.72 72.62 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.093 -0.503 . . . . 74.33 110.068 174.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 92.3 m -68.26 -35.36 77.77 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.817 -0.629 . . . . 72.4 110.71 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 63.2 mtm180 -68.38 -34.98 77.02 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.096 0.558 . . . . 73.45 110.202 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -58.77 -50.22 74.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.791 0.837 . . . . 73.53 109.383 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -71.68 -26.49 62.54 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 123.895 0.747 . . . . 74.53 111.299 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -71.6 -49.32 41.45 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.21 0.604 . . . . 73.42 110.965 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -95.16 -19.6 19.94 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.048 -0.978 . . . . 74.45 110.878 -169.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -132.27 80.62 63.13 Favored Pre-proline 0 CA--C 1.551 0.981 0 N-CA-C 107.43 -1.322 . . . . 73.44 107.43 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -54.83 -66.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 123.059 2.506 . . . . 73.45 112.852 -177.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.78 -39.88 2.42 Favored Glycine 0 C--N 1.355 1.594 0 O-C-N 123.373 0.421 . . . . 74.3 113.424 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.91 -70.08 3.12 Favored Glycine 0 C--N 1.35 1.321 0 N-CA-C 110.259 -1.136 . . . . 74.43 110.259 -173.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 70.6 m -148.39 101.24 3.22 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.321 1.048 . . . . 74.34 109.058 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.71 52.92 4.8 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 111.51 -0.636 . . . . 71.44 111.51 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.63 -27.52 67.76 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.192 1.397 . . . . 71.5 112.659 -171.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.6 65.52 1.58 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.671 -0.863 . . . . 64.14 108.671 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -155.91 -73.37 0.11 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.477 -0.783 . . . . 74.24 109.054 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.6 mp 50.24 89.49 0.1 OUTLIER Pre-proline 0 CA--C 1.564 1.485 0 C-N-CA 124.993 1.317 . . . . 75.13 110.858 -175.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -58.49 158.53 22.9 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 123.268 2.646 . . . . 73.24 113.056 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -45.8 -50.07 10.09 Favored 'Trans proline' 0 C--N 1.391 2.801 0 C-N-CA 123.836 3.024 . . . . 75.33 113.782 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -53.99 -41.04 67.48 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 123.918 0.761 . . . . 75.22 112.084 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.76 -35.92 77.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.298 0.639 . . . . 74.32 111.171 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.42 -53.52 53.74 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.597 0.561 . . . . 74.1 109.998 171.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -62.1 -31.01 71.41 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 123.939 0.774 . . . . 74.2 112.18 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -66.31 -42.12 88.73 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.01 0.924 . . . . 74.5 109.918 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 66.9 m -75.45 -27.08 58.77 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.905 -1.043 . . . . 65.01 111.207 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -81.38 75.67 8.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.185 0.594 . . . . 75.52 109.784 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.56 HG11 ' HE2' ' B' ' 53' ' ' LYS . 31.3 m -126.55 170.36 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.494 1.118 . . . . 70.24 109.144 175.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -68.72 159.99 31.19 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.172 0.589 . . . . 64.43 110.893 -174.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -53.74 -51.6 75.07 Favored Pre-proline 0 CA--C 1.564 1.496 0 C-N-CA 124.434 1.094 . . . . 70.03 113.377 -173.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 39.1 Cg_endo -64.52 -35.62 47.56 Favored 'Trans proline' 0 C--N 1.39 2.719 0 C-N-CA 121.523 1.482 . . . . 63.41 112.251 175.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 9.8 m -62.5 -32.36 73.26 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 124.079 0.951 . . . . 74.43 111.863 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 64.3 mt -57.4 -48.72 78.35 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.128 0.971 . . . . 72.21 110.532 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -69.05 -30.76 69.17 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.74 -0.664 . . . . 71.2 111.677 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 21.2 mm-40 -63.6 -39.51 94.55 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.132 0.573 . . . . 74.53 110.78 175.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.52 HD23 HG21 ' B' ' 50' ' ' ILE . 96.3 mt -68.91 -34.96 76.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.579 0.752 . . . . 71.44 110.605 175.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 82.0 mt -66.8 -44.51 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.662 0.785 . . . . 64.41 110.224 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.27 -41.72 89.48 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.825 0.85 . . . . 72.32 110.659 -178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.49 -38.0 74.3 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.732 0.813 . . . . 65.24 111.569 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' B' ' 103' ' ' LEU . . . -72.21 -28.58 63.27 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.421 0.688 . . . . 74.42 111.797 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -79.0 -38.3 37.04 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.036 0.534 . . . . 74.32 110.028 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.68 -42.31 91.44 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.409 1.083 . . . . 71.12 111.735 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 97.2 mt -96.35 -9.37 30.2 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.514 0.726 . . . . 74.33 111.605 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 38.9 t0 51.31 68.18 0.83 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.9 1.28 . . . . 74.31 111.242 -174.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.419 HG12 ' HA ' ' B' ' 24' ' ' SER . 30.9 mt -117.96 92.23 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 106.958 -1.497 . . . . 74.41 106.958 173.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.34 -36.46 19.11 Favored Pre-proline 0 CA--C 1.561 1.386 0 C-N-CA 124.103 0.961 . . . . 73.14 113.013 177.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -50.45 -33.51 38.31 Favored 'Trans proline' 0 C--N 1.398 3.158 0 C-N-CA 122.324 2.016 . . . . 75.41 113.993 166.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.482 HD11 ' HB1' ' B' ' 95' ' ' ALA . 0.8 OUTLIER -80.39 -50.91 9.48 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.231 -0.655 . . . . 72.44 109.231 177.005 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.39 -51.94 67.76 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.591 1.156 . . . . 74.41 111.828 -171.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.07 -38.69 91.6 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 124.415 1.072 . . . . 74.3 111.451 -173.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.79 -45.33 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.504 0.722 . . . . 71.1 110.546 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.7 m -69.01 -31.03 69.56 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.968 0.507 . . . . 73.11 110.953 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.25 -33.23 71.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.639 0.776 . . . . 74.45 110.642 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -70.7 -38.79 73.7 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.905 0.482 . . . . 74.01 110.244 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 28.8 m -61.77 -52.86 62.5 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.869 0.73 . . . . 60.24 111.131 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.534 ' HA ' ' HE3' ' B' ' 114' ' ' MET . 34.5 m -66.79 -32.54 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.675 -0.693 . . . . 74.35 111.248 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.5 85.83 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 123.225 0.61 . . . . 72.11 110.662 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -66.66 -25.86 66.77 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.56 0.744 . . . . 75.32 111.78 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.534 ' HE3' ' HA ' ' B' ' 111' ' ' VAL . 41.7 mtm -70.02 -48.75 56.76 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 120.958 0.408 . . . . 72.12 110.481 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.0 pt -85.52 -3.81 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 115.683 -0.689 . . . . 75.43 111.827 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -63.02 97.62 0.11 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.74 1.216 . . . . 74.42 110.979 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 CA-C-O 118.659 -1.078 . . . . 72.4 111.82 174.87 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.551 0.215 . . . . 71.33 110.771 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.4 mt -78.92 132.46 36.75 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.1 0.56 . . . . 74.5 111.021 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.6 m -103.86 143.81 15.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 N-CA-C 108.474 -0.936 . . . . 75.2 108.474 164.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.509 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 90.5 mttt -94.75 121.67 36.57 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 109.543 -0.54 . . . . 64.52 109.543 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 mt -116.15 91.09 3.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.716 0.806 . . . . 73.15 109.237 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.536 ' HG3' HG23 ' A' ' 13' ' ' VAL . 2.3 mp0 -74.85 119.17 18.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.622 -0.51 . . . . 74.05 109.622 176.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.2 p -66.32 178.7 1.13 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.832 0.453 . . . . 75.11 110.986 170.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -62.79 -29.34 70.64 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.925 0.49 . . . . 72.33 110.491 173.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.403 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 33.8 t70 -83.8 8.67 14.03 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.163 0.985 . . . . 73.23 111.179 177.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 70.74 7.13 6.11 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.245 1.418 . . . . 75.05 113.295 172.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -71.46 121.52 18.78 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.33 -0.619 . . . . 74.34 109.33 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG23 ' HG3' ' A' ' 7' ' ' GLU . 34.7 t -86.86 96.39 5.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 C-N-CA 124.394 1.077 . . . . 75.41 109.489 -173.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -82.39 87.5 6.61 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.503 0.721 . . . . 74.13 109.773 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.509 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 34.6 mt-10 -78.08 88.94 4.19 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.941 -1.027 . . . . 74.11 109.061 176.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 tt -119.9 156.03 22.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.07 0.948 . . . . 75.4 108.729 -173.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.96 139.2 56.97 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.969 0.507 . . . . 75.51 110.725 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -58.63 -31.91 68.54 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 124.08 0.862 . . . . 74.3 110.738 -178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.09 -40.73 90.58 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.738 0.815 . . . . 72.33 111.753 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 59' ' ' ARG . 24.6 mt -76.19 -34.71 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 115.516 -0.765 . . . . 65.23 109.975 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.475 ' HB2' HG23 ' A' ' 27' ' ' ILE . . . -67.86 -28.96 67.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.716 -0.675 . . . . 54.13 111.438 174.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.1 m -75.84 -23.15 55.71 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.371 0.668 . . . . 63.13 111.449 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.8 mtp -62.45 -25.38 67.94 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 122.909 0.484 . . . . 64.54 110.416 171.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 m -76.73 115.26 16.34 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.275 -1.009 . . . . 75.2 108.275 161.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.79 -31.84 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.313 0.645 . . . . 64.13 110.414 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.8 m -68.0 -47.13 69.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.96 0.504 . . . . 74.44 111.172 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' ' 21' ' ' ALA . 1.7 mp -72.49 -34.96 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.245 -0.65 . . . . 64.42 109.245 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -56.11 -51.5 67.67 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.462 0.705 . . . . 71.24 110.192 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -61.68 -39.46 91.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 115.168 -0.924 . . . . 74.34 111.043 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.494 ' O ' HG12 ' A' ' 34' ' ' ILE . 60.2 mtt -60.25 -55.6 31.8 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.06 0.544 . . . . 75.45 110.418 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.9 -48.37 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.528 0.731 . . . . 73.31 110.526 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.36 -36.14 73.98 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.739 0.416 . . . . 74.13 111.984 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -67.67 -37.85 82.92 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 123.519 0.728 . . . . 72.32 110.987 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 30' ' ' MET . 48.0 mm -72.98 -39.42 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 115.791 -0.64 . . . . 71.31 109.39 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.28 23.24 8.15 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 115.717 -0.674 . . . . 73.43 112.691 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 72.28 126.32 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.063 1.745 . . . . 74.15 110.674 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.9 m -144.09 159.29 42.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.688 0.756 . . . . 71.45 111.374 -175.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.91 -12.76 60.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.12 -1.4 . . . . 73.13 110.831 175.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m -63.45 131.79 94.94 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.048 0.939 . . . . 75.32 110.816 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 44.6 Cg_endo -68.56 160.23 50.19 Favored 'Trans proline' 0 C--N 1.373 1.86 0 C-N-CA 122.595 2.197 . . . . 74.11 111.54 171.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.0 mm -107.94 95.87 16.06 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 108.931 -0.766 . . . . 73.51 108.931 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -78.89 131.08 9.88 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.016 1.811 . . . . 74.41 111.262 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 mt -108.93 87.79 4.91 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.872 1.269 . . . . 73.52 108.74 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.83 -5.95 14.91 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 123.131 2.554 . . . . 74.32 113.571 -171.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.7 -41.66 20.99 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.37 0.668 . . . . 74.2 110.567 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -101.81 136.65 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 123.234 0.614 . . . . 63.21 110.445 -173.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.8 p -80.1 171.91 14.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.447 0.699 . . . . 75.33 110.732 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.403 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 36.0 p -64.69 -47.59 77.81 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.624 0.77 . . . . 71.24 111.966 -176.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.2 p -61.02 -36.57 79.87 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.292 1.037 . . . . 74.44 112.324 -176.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.497 HG23 HD23 ' A' ' 91' ' ' LEU . 42.4 mm -81.05 -47.18 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 115.845 -0.616 . . . . 73.12 109.899 -178.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.1 -30.45 71.61 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.832 0.853 . . . . 74.32 111.042 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.18 -51.26 68.53 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 123.478 0.711 . . . . 73.32 110.794 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' HD2' HD22 ' A' ' 91' ' ' LEU . 36.3 mttm -63.83 -41.88 97.76 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 123.986 0.804 . . . . 64.32 110.549 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.644 HG12 ' HG ' ' A' ' 103' ' ' LEU . 75.5 t -60.83 -51.07 77.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 114.728 -1.124 . . . . 55.02 110.348 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.3 mt -72.42 -28.71 63.14 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.779 -0.646 . . . . 75.11 111.772 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.88 -51.37 48.9 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.963 0.905 . . . . 75.33 110.668 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -59.57 -48.53 81.29 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.74 -0.664 . . . . 73.35 110.413 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.674 ' SG ' HG21 ' A' ' 100' ' ' ILE . 78.7 m -65.18 -31.88 73.28 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.056 0.848 . . . . 75.34 111.731 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.512 ' HA ' HD13 ' A' ' 20' ' ' ILE . 55.8 ttp180 -64.22 -51.35 64.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.464 0.705 . . . . 74.31 110.204 175.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -63.82 -34.62 78.33 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.888 0.875 . . . . 75.23 111.405 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -76.34 -19.02 58.61 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.305 0.642 . . . . 73.43 110.007 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -82.81 -30.67 28.64 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.926 0.491 . . . . 75.42 110.136 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 24.8 mm-40 -70.32 -35.43 73.64 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.588 -0.523 . . . . 64.22 109.588 176.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -127.02 82.02 68.86 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 108.329 -0.989 . . . . 74.13 108.329 175.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.05 -23.2 40.43 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.782 2.321 . . . . 74.32 113.542 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.24 -137.04 2.22 Favored Glycine 0 C--N 1.343 0.919 0 N-CA-C 111.893 -0.483 . . . . 65.04 111.893 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.41 -66.75 3.62 Favored Glycine 0 C--N 1.351 1.416 0 C-N-CA 122.943 0.306 . . . . 75.11 112.402 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.1 m -139.36 -176.36 4.5 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.295 1.038 . . . . 74.43 109.351 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.89 -26.72 23.37 Favored Glycine 0 C--N 1.343 0.938 0 CA-C-N 116.391 -0.368 . . . . 64.54 112.807 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.68 -44.73 80.99 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.422 0.689 . . . . 72.14 110.793 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -91.22 -37.48 13.3 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.364 0.666 . . . . 74.31 110.53 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.98 -37.59 87.99 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.278 1.031 . . . . 72.35 111.586 -174.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.4 mm 57.25 93.36 0.05 OUTLIER Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.967 1.307 . . . . 70.41 110.01 -173.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.79 127.29 18.37 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 122.275 1.983 . . . . 75.34 111.34 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -50.93 -26.54 18.52 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.434 2.756 . . . . 74.1 113.114 172.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -53.19 -49.27 67.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.211 1.404 . . . . 75.01 111.906 175.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.26 -39.01 93.4 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.207 1.003 . . . . 74.32 111.163 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -72.83 -33.6 66.27 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.074 -0.967 . . . . 73.5 110.418 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.527 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 60.5 m-20 -79.5 -22.58 43.82 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.464 -0.789 . . . . 73.53 111.615 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.57 -33.42 75.88 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.311 0.645 . . . . 75.25 109.827 170.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.1 m -70.88 -11.48 60.99 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.138 -0.937 . . . . 72.32 112.505 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.527 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 32.1 mmtp -82.17 74.01 9.18 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.518 -0.549 . . . . 75.23 109.518 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.413 HG13 HD13 ' A' ' 91' ' ' LEU . 24.5 m -131.71 171.51 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.754 1.222 . . . . 72.11 108.561 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.67 156.78 38.43 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.04 -0.356 . . . . 72.44 110.04 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.449 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -55.76 -51.79 77.49 Favored Pre-proline 0 CA--C 1.568 1.659 0 C-N-CA 124.099 0.96 . . . . 75.43 111.058 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 22.3 Cg_exo -68.51 -39.85 8.74 Favored 'Trans proline' 0 C--N 1.387 2.594 0 C-N-CA 121.649 1.566 . . . . 73.52 112.405 176.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.6 m -57.36 -32.05 66.38 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.336 1.054 . . . . 74.02 111.763 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.91 -46.54 89.03 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.979 1.312 . . . . 70.31 109.526 177.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -73.18 -30.63 63.68 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.594 -0.73 . . . . 74.44 111.643 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -60.77 -35.77 77.28 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.456 0.473 . . . . 72.21 110.708 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.497 HD23 HG23 ' A' ' 50' ' ' ILE . 96.0 mt -68.69 -34.36 75.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.54 0.736 . . . . 75.14 111.323 176.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 43.7 mt -69.9 -41.49 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 123.171 0.588 . . . . 74.21 110.137 175.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.26 -38.98 92.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.828 0.851 . . . . 74.13 110.498 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.84 -34.52 64.56 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.731 0.812 . . . . 71.31 110.935 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.492 ' HB1' HD13 ' A' ' 103' ' ' LEU . . . -70.21 -29.79 66.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.404 0.682 . . . . 75.53 111.46 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -79.89 -42.06 24.93 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.802 0.841 . . . . 74.25 110.004 173.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -63.22 -36.14 82.65 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.848 0.859 . . . . 74.45 111.58 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.529 HD13 HG11 ' A' ' 54' ' ' VAL . 60.3 mt -95.61 -19.54 19.68 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.087 0.555 . . . . 74.43 110.572 177.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.6 t0 50.38 68.37 0.77 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.402 1.481 . . . . 70.54 111.932 -174.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.674 HG21 ' SG ' ' A' ' 58' ' ' CYS . 25.8 mt -104.46 114.89 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 107.494 -1.299 . . . . 71.31 107.494 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -63.41 -48.75 81.3 Favored Pre-proline 0 CA--C 1.563 1.457 0 CA-C-O 118.603 -0.713 . . . . 74.31 112.743 -171.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.03 -44.02 26.86 Favored 'Trans proline' 0 C--N 1.392 2.833 0 C-N-CA 121.874 1.716 . . . . 62.12 113.21 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.644 ' HG ' HG12 ' A' ' 54' ' ' VAL . 1.6 tm? -63.96 -51.04 66.23 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.347 0.659 . . . . 72.14 109.668 -175.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.85 -44.64 91.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 114.994 -1.003 . . . . 72.32 110.769 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.406 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 23.9 t70 -65.01 -51.23 62.79 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.365 -0.834 . . . . 60.11 110.903 -175.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.82 -46.18 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.627 0.771 . . . . 70.23 111.397 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 13.2 m -72.16 -32.47 66.9 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.204 0.602 . . . . 71.51 111.945 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 98.3 m -70.93 -39.35 72.7 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.804 0.442 . . . . 70.14 110.185 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 105' ' ' ASP . 1.5 mptm? -67.25 -30.38 70.26 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.586 0.755 . . . . 73.43 110.872 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.2 m -57.35 -45.76 84.03 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.013 0.525 . . . . 74.04 110.543 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.512 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 13.0 t -71.42 -40.88 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.301 178.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.27 -30.33 71.05 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.224 -0.898 . . . . 73.53 111.353 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -70.89 -34.52 71.67 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.67 0.788 . . . . 71.41 110.907 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.512 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 42.2 mtm -69.86 -33.51 72.35 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.737 0.415 . . . . 71.31 111.095 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.4 pt -99.87 -2.71 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.962 0.505 . . . . 73.12 112.043 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -57.73 -54.96 41.03 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.056 0.942 . . . . 75.32 112.367 -170.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.372 0 N-CA-C 110.152 -1.179 . . . . 72.01 110.152 -170.742 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.513 0.197 . . . . 63.32 110.5 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.0 mt -78.99 133.13 36.85 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.347 0.659 . . . . 74.42 110.88 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 29.0 m -104.89 143.45 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.318 -0.993 . . . . 74.11 108.318 164.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.555 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 91.1 mttt -94.31 121.9 36.31 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.043 0.537 . . . . 73.22 109.875 -176.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.24 91.19 3.52 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.544 0.738 . . . . 74.24 109.459 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.521 ' HG3' HG23 ' B' ' 13' ' ' VAL . 2.8 mp0 -74.45 119.48 18.7 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.522 -0.548 . . . . 75.41 109.522 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -66.83 178.95 1.19 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.754 0.421 . . . . 71.42 110.96 171.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p -62.91 -29.19 70.59 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.046 0.539 . . . . 71.45 110.505 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.22 7.79 17.94 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 124.345 1.058 . . . . 75.52 111.386 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 71.92 6.84 5.72 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 125.063 1.345 . . . . 73.25 113.502 172.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -71.12 121.51 18.42 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.506 -0.554 . . . . 71.31 109.506 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.521 HG23 ' HG3' ' B' ' 7' ' ' GLU . 38.7 t -87.29 96.65 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 124.096 0.959 . . . . 70.54 109.379 -173.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.37 86.9 6.64 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.454 0.702 . . . . 75.53 109.797 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.555 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.3 mt-10 -77.32 88.86 3.73 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.912 -1.04 . . . . 63.52 109.018 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.1 tt -119.86 155.58 22.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.936 0.894 . . . . 74.51 108.903 -173.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.98 138.75 57.36 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.192 0.597 . . . . 72.02 110.55 -177.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -58.31 -31.77 67.84 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 124.065 0.853 . . . . 72.1 110.821 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.1 -41.54 92.76 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.94 0.896 . . . . 72.51 111.556 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' B' ' 59' ' ' ARG . 24.0 mt -75.35 -34.74 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.559 0.744 . . . . 74.55 109.971 -179.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.469 ' HB2' HG23 ' B' ' 27' ' ' ILE . . . -68.02 -28.73 67.66 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.715 -0.675 . . . . 74.23 111.456 174.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 74.0 m -76.39 -21.71 55.7 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.498 0.719 . . . . 74.2 111.566 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.86 -24.89 67.92 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.928 0.491 . . . . 73.44 110.551 170.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -77.08 115.01 16.49 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 108.267 -1.012 . . . . 75.24 108.267 161.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.36 -31.87 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.134 0.574 . . . . 73.1 110.408 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -67.94 -47.03 69.81 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.155 0.582 . . . . 71.53 111.275 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.469 HG23 ' HB2' ' B' ' 21' ' ' ALA . 1.7 mp -72.86 -35.03 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 N-CA-C 109.203 -0.665 . . . . 74.22 109.203 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -56.03 -51.29 68.33 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.562 0.745 . . . . 75.45 110.058 172.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -61.65 -40.05 93.53 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.09 -0.959 . . . . 74.13 110.887 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.477 ' O ' HG12 ' B' ' 34' ' ' ILE . 60.0 mtt -59.86 -55.57 32.59 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 123.555 0.535 . . . . 73.41 110.476 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.09 -48.52 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 123.917 0.761 . . . . 72.12 110.544 -175.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.29 -35.91 74.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.293 0.37 . . . . 75.13 111.996 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.59 -38.21 83.69 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.252 0.621 . . . . 75.41 110.897 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.477 HG12 ' O ' ' B' ' 30' ' ' MET . 49.0 mm -73.54 -37.75 50.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.794 -0.639 . . . . 75.22 109.358 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.93 23.39 8.67 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 115.873 -0.603 . . . . 74.12 112.743 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 72.32 125.4 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.113 1.765 . . . . 74.15 110.272 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 74.4 m -142.56 160.48 40.21 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.598 0.713 . . . . 65.33 111.218 -175.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.91 -12.56 59.97 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.036 -1.438 . . . . 75.3 110.92 173.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.4 m -64.97 130.57 94.92 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.051 0.94 . . . . 73.5 110.814 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.499 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 41.7 Cg_endo -68.18 160.51 48.52 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.318 2.012 . . . . 71.43 111.538 172.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -107.58 95.59 14.43 Favored Pre-proline 0 CA--C 1.547 0.865 0 N-CA-C 108.979 -0.748 . . . . 73.13 108.979 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.66 129.93 9.48 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.095 1.864 . . . . 75.32 111.276 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -108.1 88.41 4.68 Favored Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 124.587 1.155 . . . . 75.32 108.919 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -79.71 -5.06 13.85 Favored 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.987 2.458 . . . . 75.04 113.655 -171.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -81.98 -41.92 20.08 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.471 0.708 . . . . 72.35 110.369 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -101.56 136.88 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.455 0.702 . . . . 73.45 110.412 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 53.3 p -80.21 171.8 14.6 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.297 0.639 . . . . 74.13 110.896 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.4 p -64.69 -47.5 78.13 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.733 0.813 . . . . 73.24 112.135 -177.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 38.0 p -61.07 -36.42 79.58 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.257 1.023 . . . . 73.51 112.053 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.487 HG23 HD23 ' B' ' 91' ' ' LEU . 42.2 mm -80.91 -47.46 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 123.21 0.604 . . . . 75.04 110.059 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.2 tp -63.28 -30.29 71.46 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.878 0.871 . . . . 74.23 111.011 -178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.03 -51.29 68.59 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.545 0.738 . . . . 72.23 110.631 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.499 ' HD2' HD22 ' B' ' 91' ' ' LEU . 37.2 mttm -63.9 -42.02 97.55 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 123.713 0.633 . . . . 75.11 110.642 -177.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.641 HG12 ' HG ' ' B' ' 103' ' ' LEU . 77.4 t -60.7 -50.74 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.68 -1.145 . . . . 73.11 110.436 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.9 -28.68 62.62 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.26 0.624 . . . . 75.12 111.864 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -68.3 -50.21 55.18 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.016 0.926 . . . . 75.33 110.897 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -60.57 -48.49 81.52 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.632 -0.713 . . . . 74.21 110.33 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.663 ' SG ' HG21 ' B' ' 100' ' ' ILE . 79.9 m -65.28 -31.55 72.74 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.921 0.763 . . . . 75.13 111.771 -178.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.508 ' HA ' HD13 ' B' ' 20' ' ' ILE . 54.7 ttp180 -64.77 -51.11 64.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.374 0.669 . . . . 74.21 110.024 175.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -63.27 -35.47 80.47 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.155 0.909 . . . . 72.21 111.496 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -75.55 -19.93 58.99 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.269 0.628 . . . . 73.53 109.882 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -82.59 -30.43 29.54 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.941 0.496 . . . . 74.31 110.07 171.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 26.0 mm-40 -70.21 -34.09 72.48 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 109.811 -0.44 . . . . 64.42 109.811 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -128.61 81.75 70.04 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 108.314 -0.995 . . . . 75.33 108.314 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.18 -22.6 40.46 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.757 2.305 . . . . 75.14 113.569 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -172.15 -135.81 2.03 Favored Glycine 0 C--N 1.342 0.879 0 N-CA-C 111.414 -0.674 . . . . 60.45 111.414 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.68 -67.54 3.35 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 111.945 -0.462 . . . . 71.1 111.945 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.5 m -138.44 -174.94 3.95 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.269 1.027 . . . . 74.54 109.576 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.415 ' HA2' ' HB2' ' B' ' 72' ' ' ASP . . . 100.99 -25.68 27.44 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-N 116.431 -0.35 . . . . 63.3 112.933 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.59 -44.24 78.61 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.33 0.652 . . . . 74.12 110.902 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -91.46 -37.6 13.07 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.411 0.684 . . . . 71.21 110.332 174.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . 0.415 ' HB2' ' HA2' ' B' ' 69' ' ' GLY . 3.3 m-20 -63.06 -37.72 88.34 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.197 0.999 . . . . 74.33 111.501 -174.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mm 56.63 93.22 0.05 OUTLIER Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 124.942 1.297 . . . . 74.43 110.201 -172.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.76 128.05 20.1 Favored 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 122.221 1.947 . . . . 73.1 111.121 -176.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.6 -26.28 22.14 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 123.122 2.548 . . . . 72.11 113.293 172.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -54.13 -48.65 70.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.274 1.43 . . . . 71.52 111.834 175.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.21 -38.9 92.98 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.206 1.002 . . . . 73.34 111.098 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -72.19 -34.26 68.29 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.068 -0.969 . . . . 74.41 110.547 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.523 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 53.8 m-20 -79.55 -21.89 44.54 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.356 -0.838 . . . . 54.25 111.787 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -65.5 -33.52 76.13 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.159 0.584 . . . . 73.54 109.861 170.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.06 -10.67 60.15 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.145 -0.934 . . . . 74.52 112.632 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.523 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 32.6 mmtp -82.18 73.89 9.19 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.199 0.599 . . . . 72.25 109.708 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.428 HG13 HD13 ' B' ' 91' ' ' LEU . 29.4 m -132.75 170.29 20.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 C-N-CA 124.979 1.312 . . . . 74.41 108.313 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -69.8 157.89 36.51 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 110.019 -0.363 . . . . 74.34 110.019 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.43 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 0.9 OUTLIER -56.61 -51.85 78.03 Favored Pre-proline 0 CA--C 1.571 1.77 0 C-N-CA 123.75 0.82 . . . . 73.45 111.091 -179.347 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . 0.43 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 21.7 Cg_exo -68.63 -39.82 8.46 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.815 1.677 . . . . 72.04 112.484 175.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 85.2 m -57.1 -32.16 66.02 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.195 0.998 . . . . 73.14 111.778 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.94 -46.43 89.43 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.78 1.232 . . . . 75.03 109.569 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -73.32 -30.52 63.41 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.679 -0.691 . . . . 74.05 111.694 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.72 -35.57 76.67 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.941 0.496 . . . . 74.23 110.644 173.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.499 HD22 ' HD2' ' B' ' 53' ' ' LYS . 95.7 mt -69.07 -34.44 75.15 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.634 0.774 . . . . 74.41 111.285 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 44.6 mt -69.91 -41.54 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 123.13 0.572 . . . . 75.24 110.057 176.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.17 -38.87 92.62 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.795 0.838 . . . . 75.31 110.532 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.08 -34.46 64.01 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.692 0.797 . . . . 74.11 110.888 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.491 ' HB1' HD13 ' B' ' 103' ' ' LEU . . . -70.22 -29.68 66.57 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.333 0.653 . . . . 71.11 111.49 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -80.06 -41.48 25.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.833 0.853 . . . . 75.44 110.058 173.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -63.72 -35.53 80.87 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.9 0.88 . . . . 74.11 111.678 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.535 HD13 HG11 ' B' ' 54' ' ' VAL . 60.3 mt -96.4 -19.19 19.38 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.037 0.535 . . . . 75.32 110.594 177.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 28.7 t0 50.41 67.28 0.95 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.444 1.498 . . . . 73.11 111.962 -174.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.663 HG21 ' SG ' ' B' ' 58' ' ' CYS . 25.5 mt -103.6 115.07 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 107.569 -1.271 . . . . 64.33 107.569 174.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -63.41 -49.14 80.13 Favored Pre-proline 0 CA--C 1.562 1.429 0 CA-C-O 118.56 -0.733 . . . . 74.42 112.768 -171.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -61.1 -43.9 27.15 Favored 'Trans proline' 0 C--N 1.392 2.851 0 C-N-CA 121.859 1.706 . . . . 62.0 113.142 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.641 ' HG ' HG12 ' B' ' 54' ' ' VAL . 1.6 tm? -63.76 -51.08 66.46 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.361 0.664 . . . . 75.53 109.713 -175.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.88 -44.44 91.12 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.044 -0.98 . . . . 64.4 110.728 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' B' ' 109' ' ' LYS . 23.7 t70 -64.67 -51.78 60.72 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.015 0.822 . . . . 71.13 110.841 -175.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.82 -46.0 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.715 0.806 . . . . 72.13 111.373 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.5 m -72.15 -32.61 67.05 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.15 0.58 . . . . 74.13 111.908 -175.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 96.1 m -71.02 -39.25 72.48 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.763 0.425 . . . . 75.13 110.094 175.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' B' ' 105' ' ' ASP . 1.4 mptm? -67.47 -30.29 69.96 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.603 0.761 . . . . 73.35 110.879 175.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 85.0 m -57.27 -46.04 83.47 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 123.585 0.553 . . . . 70.53 110.571 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.521 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 13.0 t -71.17 -40.74 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 121.065 0.46 . . . . 71.44 110.26 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.5 71.35 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.156 -0.929 . . . . 62.23 111.466 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -69.88 -35.84 74.98 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.364 0.666 . . . . 71.25 110.689 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.521 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 44.3 mtm -69.22 -32.79 72.27 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.025 0.53 . . . . 74.32 111.311 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.9 pt -100.68 -2.59 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.097 0.559 . . . . 71.31 111.79 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -57.84 -52.44 65.46 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.875 0.87 . . . . 74.12 112.52 -170.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 N-CA-C 109.396 -1.482 . . . . 74.05 109.396 -170.352 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 110.343 -0.243 . . . . 71.52 110.343 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.4 mt -82.63 117.45 22.6 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.705 0.402 . . . . 73.33 110.649 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.9 m -85.78 130.86 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 109.42 -0.585 . . . . 73.34 109.42 168.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.536 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 89.2 mttt -86.17 83.14 7.81 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.088 -0.96 . . . . 75.11 109.88 -174.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.02 90.13 5.97 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.3 0.64 . . . . 74.04 110.195 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -79.07 134.27 36.76 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.651 -0.704 . . . . 72.14 110.01 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.9 p -87.0 175.17 8.26 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 124.057 0.943 . . . . 74.51 110.707 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p -70.0 -13.74 62.37 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.288 0.635 . . . . 74.44 111.413 173.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.447 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 27.9 t70 -91.77 5.32 50.3 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.307 1.043 . . . . 74.2 110.316 175.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 77.97 -2.96 2.42 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.185 1.394 . . . . 71.32 112.794 173.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -77.07 125.44 29.33 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 121.171 -0.955 . . . . 75.24 110.367 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -95.28 110.13 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 124.56 1.144 . . . . 73.14 110.214 -174.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.58 95.23 7.47 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.49 0.716 . . . . 74.15 109.436 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 31.8 mt-10 -79.81 78.73 6.38 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.056 -0.975 . . . . 73.45 109.64 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.414 HG13 ' NH2' ' A' ' 59' ' ' ARG . 20.5 tt -103.33 157.73 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 108.885 -0.783 . . . . 73.5 108.885 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 133.6 55.33 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.355 0.662 . . . . 75.34 110.159 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -58.88 -36.86 75.34 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.109 0.881 . . . . 73.11 111.42 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.26 -30.55 68.37 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.98 0.912 . . . . 75.44 112.22 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.9 mt -80.9 -36.68 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.21 0.604 . . . . 74.22 109.898 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.32 -16.18 62.97 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.825 -0.625 . . . . 74.01 111.991 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.4 m -75.05 -26.72 59.62 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.508 0.723 . . . . 74.4 111.01 173.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.6 mtp -63.33 -32.67 74.16 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.33 0.652 . . . . 74.43 109.635 173.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.596 ' HA ' HG12 ' A' ' 100' ' ' ILE . 44.5 t -73.95 105.16 5.08 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.862 -1.063 . . . . 52.13 108.251 164.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.4 t -67.17 -36.48 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 119.273 -0.394 . . . . 65.25 111.555 -172.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.43 HG22 ' HE1' ' A' ' 30' ' ' MET . 95.7 m -64.47 -48.87 73.62 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.603 0.361 . . . . 71.41 111.587 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.89 -42.25 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.818 0.447 . . . . 75.12 110.021 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -55.43 -50.23 70.34 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.079 0.952 . . . . 73.21 110.196 173.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.02 -32.46 74.02 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.349 -0.842 . . . . 72.42 111.084 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.43 ' HE1' HG22 ' A' ' 26' ' ' THR . 64.7 mtt -65.04 -49.41 70.26 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.109 0.564 . . . . 72.34 110.403 177.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -61.65 -39.61 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.632 0.773 . . . . 71.3 110.49 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.85 -34.24 62.25 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.459 0.704 . . . . 72.42 111.704 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.27 -38.91 71.83 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.59 0.756 . . . . 73.05 110.755 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -74.2 -29.82 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.176 -0.92 . . . . 73.32 109.473 172.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.1 -56.2 0.75 Allowed Glycine 0 C--N 1.344 1.027 0 N-CA-C 111.086 -0.806 . . . . 74.24 111.086 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -138.51 123.91 19.42 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.588 1.155 . . . . 74.44 108.435 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 m -126.64 85.3 2.36 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.053 0.454 . . . . 70.02 110.869 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.78 -34.7 26.96 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.683 -0.689 . . . . 65.1 109.983 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -63.16 144.5 97.36 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.676 0.79 . . . . 74.01 110.706 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 73.9 Cg_exo -52.88 118.74 5.08 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.969 2.446 . . . . 75.44 112.803 178.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -73.04 111.31 11.0 Favored Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 108.715 -0.846 . . . . 73.14 108.715 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -85.9 123.3 2.38 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.474 2.116 . . . . 63.3 111.103 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.7 mt -107.22 94.27 10.9 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 107.971 -1.122 . . . . 71.32 107.971 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.17 -1.75 10.57 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 123.43 2.754 . . . . 71.32 114.463 -172.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -140.19 72.44 1.4 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.208 0.527 . . . . 74.35 110.847 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.3 p -174.2 123.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 114.726 -1.125 . . . . 74.1 108.37 165.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.2 p -69.16 154.14 42.55 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.91 0.484 . . . . 71.4 110.167 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.447 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 57.5 p -60.69 -47.85 84.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.8 0.84 . . . . 73.34 112.898 -171.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.472 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 40.0 p -58.82 -46.86 86.67 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 124.05 0.844 . . . . 73.42 111.195 -177.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.545 HG21 HD21 ' A' ' 91' ' ' LEU . 49.2 mm -69.31 -42.44 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.291 0.636 . . . . 74.12 110.595 -178.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.02 -41.94 88.98 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.731 0.644 . . . . 65.4 110.276 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.3 -47.17 87.2 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.828 0.851 . . . . 73.5 110.92 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 49' ' ' THR . 31.0 mtpp -59.09 -43.98 91.88 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 124.03 0.831 . . . . 72.12 111.208 -178.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.8 t -69.44 -43.64 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 115.525 -0.761 . . . . 70.43 110.474 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.25 -32.99 73.56 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.237 0.615 . . . . 74.14 111.632 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.32 -44.5 68.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.501 0.721 . . . . 75.35 109.624 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.44 ' CD2' HD21 ' A' ' 103' ' ' LEU . 89.0 t80 -60.58 -45.96 92.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.218 -0.447 . . . . 75.43 110.551 175.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 85.5 m -59.81 -36.33 76.54 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.712 0.632 . . . . 74.54 110.656 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' NH2' HG13 ' A' ' 16' ' ' ILE . 35.2 ttm180 -65.69 -42.05 91.66 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.836 0.454 . . . . 75.23 110.92 175.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -62.79 -45.24 93.58 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.227 0.611 . . . . 74.51 111.025 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -78.37 -14.41 59.41 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.666 -0.697 . . . . 73.31 110.664 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -79.37 -37.48 37.26 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 109.652 -0.499 . . . . 74.54 109.652 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 85.9 mm-40 -72.84 -24.37 60.88 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.503 0.721 . . . . 72.31 110.869 176.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -126.89 73.56 76.06 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.008 0.923 . . . . 74.32 108.661 174.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -89.61 23.1 0.73 Allowed 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 123.394 2.729 . . . . 73.25 113.373 -172.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.14 37.27 3.12 Favored Glycine 0 C--N 1.348 1.208 0 CA-C-O 120.022 -0.321 . . . . 72.51 113.586 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.71 -94.89 0.1 OUTLIER Glycine 0 C--N 1.353 1.517 0 C-N-CA 123.298 0.475 . . . . 72.52 112.93 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 m -136.2 132.7 36.26 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.45 1.1 . . . . 73.23 108.943 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -116.81 160.76 13.3 Favored Glycine 0 N--CA 1.468 0.799 0 N-CA-C 110.795 -0.922 . . . . 53.42 110.795 174.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.2 tp -86.17 52.73 2.57 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 122.445 1.117 . . . . 73.03 109.098 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -161.74 20.22 0.11 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.173 0.989 . . . . 72.2 108.951 -178.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -85.27 -159.05 0.41 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.034 0.933 . . . . 72.43 109.976 -173.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.7 mm 58.25 67.69 2.1 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 124.559 1.143 . . . . 73.2 109.633 -166.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -66.33 152.45 80.99 Favored 'Trans proline' 0 C--N 1.377 2.077 0 C-N-CA 122.367 2.045 . . . . 74.42 111.934 173.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.09 -30.89 72.7 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.865 2.377 . . . . 73.41 111.925 172.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -56.54 -50.91 70.47 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 123.778 0.831 . . . . 72.53 111.992 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.21 -32.94 73.66 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.718 0.807 . . . . 74.4 111.265 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -65.44 -46.38 80.12 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.995 -0.548 . . . . 74.13 109.948 173.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.19 -24.65 64.08 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.745 -0.661 . . . . 72.43 112.055 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CZ ' HD23 ' A' ' 103' ' ' LEU . 58.9 t80 -69.64 -38.55 77.21 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.671 0.788 . . . . 65.43 109.071 175.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.428 ' SG ' HG23 ' A' ' 110' ' ' THR . 65.3 m -71.84 -24.31 61.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.805 -1.089 . . . . 71.24 111.348 177.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.95 76.66 2.18 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.099 0.56 . . . . 71.35 110.099 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.439 HG11 ' HE2' ' A' ' 53' ' ' LYS . 16.3 m -142.49 156.6 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.859 1.264 . . . . 74.43 108.203 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.33 164.18 23.45 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.185 0.594 . . . . 74.13 109.872 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.502 ' HA ' HD13 ' A' ' 88' ' ' LEU . 26.0 tp60 -56.56 -48.68 96.68 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 112.907 0.706 . . . . 71.34 112.907 -176.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.47 -35.41 96.08 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 121.871 1.714 . . . . 74.32 112.67 172.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 m -69.58 -29.98 67.65 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.737 0.815 . . . . 74.1 111.314 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 85' ' ' GLN . 78.2 mt -59.72 -47.09 87.02 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.729 0.812 . . . . 74.12 110.187 171.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -65.83 -30.06 70.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.496 0.718 . . . . 74.32 111.576 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -66.38 -37.16 84.65 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.506 0.722 . . . . 71.43 111.595 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.545 HD21 HG21 ' A' ' 50' ' ' ILE . 93.1 mt -67.93 -36.53 80.3 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.052 0.541 . . . . 72.13 110.497 175.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.417 HD13 HD13 ' B' ' 92' ' ' ILE . 77.7 mt -67.2 -41.85 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.662 0.785 . . . . 73.41 109.954 175.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.95 -48.39 79.11 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.317 0.647 . . . . 73.41 110.724 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.07 -42.88 88.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.411 0.684 . . . . 72.11 111.227 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.59 93.25 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.076 0.551 . . . . 75.13 111.624 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -74.06 -32.61 63.37 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.129 0.572 . . . . 74.32 110.759 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -72.04 -38.97 69.41 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.143 0.977 . . . . 72.14 110.771 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.8 mt -91.33 -6.77 52.54 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.778 0.831 . . . . 74.53 111.057 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 t70 54.22 65.05 1.62 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.838 1.255 . . . . 71.32 110.203 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.596 HG12 ' HA ' ' A' ' 24' ' ' SER . 35.2 mt -120.39 90.96 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 107.015 -1.476 . . . . 75.21 107.015 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -57.18 -45.46 99.92 Favored Pre-proline 0 CA--C 1.564 1.5 0 CA-C-O 118.131 -0.937 . . . . 75.43 111.318 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -49.34 -56.98 2.63 Favored 'Trans proline' 0 C--N 1.396 3.04 0 C-N-CA 122.193 1.929 . . . . 72.13 114.213 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 57' ' ' TYR . 2.6 tm? -67.21 -39.16 86.26 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.838 0.455 . . . . 75.02 110.537 -175.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.584 HD21 HD21 ' B' ' 104' ' ' LEU . 49.7 tp -62.06 -40.91 97.4 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.889 0.743 . . . . 73.32 110.233 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.5 -38.92 65.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.614 -0.721 . . . . 74.02 110.581 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.53 -46.15 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.984 0.514 . . . . 74.14 110.043 175.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.3 m -65.41 -41.06 94.0 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.031 0.532 . . . . 63.45 110.889 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.439 ' HB3' HD21 ' B' ' 93' ' ' LEU . 97.2 m -65.57 -39.48 91.71 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.533 0.733 . . . . 73.11 110.745 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.8 -51.26 63.12 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.844 0.458 . . . . 75.01 109.886 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.428 HG23 ' SG ' ' A' ' 81' ' ' CYS . 98.4 m -58.07 -51.19 70.71 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.802 0.841 . . . . 72.13 112.03 -175.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.435 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 26.8 m -61.42 -34.4 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 122.674 0.389 . . . . 74.04 110.902 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.503 ' HA ' HD13 ' A' ' 115' ' ' ILE . . . -73.62 -34.18 64.91 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.601 0.76 . . . . 72.41 111.933 177.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -73.52 -39.41 64.81 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.952 0.501 . . . . 74.43 111.148 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.435 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 59.3 mtm -70.36 -40.41 74.07 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.034 0.534 . . . . 75.54 111.526 -175.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' B' ' 86' ' ' PRO . 18.6 pt -69.8 -24.57 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 C-N-CA 123.057 0.543 . . . . 74.23 111.893 179.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -90.16 -19.59 24.07 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.461 0.704 . . . . 74.41 110.616 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.321 0 CA-C-O 118.999 -0.89 . . . . 45.24 112.475 -178.001 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.617 0.246 . . . . 75.13 110.654 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.8 mt -81.75 117.42 22.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.036 0.534 . . . . 71.24 110.642 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 m -86.08 129.68 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 109.502 -0.555 . . . . 74.42 109.502 169.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.536 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 88.1 mttt -85.43 83.41 7.95 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.097 -0.956 . . . . 71.11 109.872 -174.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.49 89.74 6.18 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.753 -0.658 . . . . 74.45 110.209 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -78.76 134.41 37.03 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.71 -0.677 . . . . 73.31 109.956 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 54.1 p -86.69 176.49 7.74 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 123.982 0.913 . . . . 71.32 110.672 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.1 p -70.78 -13.92 62.23 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.129 0.572 . . . . 70.03 111.291 172.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . 0.427 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 28.2 t70 -92.06 4.85 52.2 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.549 1.14 . . . . 73.5 110.517 175.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 77.94 -2.51 2.47 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.228 1.411 . . . . 73.04 112.771 172.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -76.7 125.64 29.61 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 121.399 -0.813 . . . . 74.44 110.063 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.59 111.76 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.582 1.153 . . . . 73.34 109.984 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -98.72 95.36 7.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.833 0.853 . . . . 74.24 109.525 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 31.9 mt-10 -81.02 78.21 7.85 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.158 -0.928 . . . . 74.52 109.527 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.419 HG13 ' NH2' ' B' ' 59' ' ' ARG . 20.5 tt -102.61 158.06 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.074 -0.713 . . . . 74.11 109.074 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.1 133.04 54.65 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.367 0.667 . . . . 53.22 110.085 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -58.3 -36.81 73.89 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.23 0.956 . . . . 75.41 111.541 -176.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.25 -29.76 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.969 0.908 . . . . 75.12 112.281 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 39.3 mt -81.18 -36.9 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 C-N-CA 123.313 0.645 . . . . 73.4 109.803 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.43 -16.15 62.91 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.906 -0.588 . . . . 74.43 112.065 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 75.7 m -74.11 -28.94 61.6 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.339 0.655 . . . . 62.13 110.54 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 81.1 mtp -60.94 -33.21 72.82 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.473 0.709 . . . . 74.53 109.939 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.594 ' HA ' HG12 ' B' ' 100' ' ' ILE . 44.3 t -73.72 105.77 5.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.704 -1.134 . . . . 75.13 108.224 165.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.38 -36.77 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 122.577 0.351 . . . . 74.41 111.621 -172.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 95.4 m -63.95 -49.4 72.71 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.737 0.415 . . . . 74.54 111.613 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.8 -42.18 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 122.804 0.442 . . . . 71.32 109.983 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -55.2 -50.31 69.7 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.086 0.954 . . . . 75.43 110.211 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -64.35 -32.17 73.67 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.426 -0.806 . . . . 65.44 111.09 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.8 mtt -64.96 -49.25 71.04 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.152 0.581 . . . . 74.02 110.398 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.81 -39.56 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 123.644 0.777 . . . . 65.5 110.567 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -74.23 -35.33 63.85 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.465 0.706 . . . . 71.44 111.724 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.23 -39.67 74.95 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.682 0.793 . . . . 74.32 110.614 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.73 -28.33 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 115.385 -0.825 . . . . 73.42 109.727 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.15 -58.19 0.77 Allowed Glycine 0 C--N 1.345 1.046 0 N-CA-C 110.906 -0.878 . . . . 74.1 110.906 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -137.01 125.12 22.95 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.59 1.156 . . . . 73.02 107.983 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 32.8 m -127.89 81.12 2.0 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.81 0.444 . . . . 74.25 110.877 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -79.79 -32.85 40.87 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 115.773 -0.648 . . . . 72.14 110.125 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.0 m -64.13 144.63 98.27 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 123.752 0.821 . . . . 63.15 110.846 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.438 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 73.3 Cg_exo -52.36 120.8 7.91 Favored 'Trans proline' 0 C--N 1.384 2.419 0 C-N-CA 122.791 2.327 . . . . 73.14 112.368 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -74.94 112.01 15.92 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 108.761 -0.829 . . . . 75.15 108.761 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -85.56 124.55 2.73 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.67 2.246 . . . . 63.45 111.161 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.5 mt -108.33 93.83 12.23 Favored Pre-proline 0 CA--C 1.544 0.744 0 N-CA-C 107.998 -1.112 . . . . 75.23 107.998 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -71.6 -2.73 11.8 Favored 'Trans proline' 0 C--N 1.383 2.369 0 C-N-CA 123.392 2.728 . . . . 74.34 114.306 -172.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -139.29 72.53 1.4 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.258 0.551 . . . . 74.0 110.806 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 11.5 p -174.32 124.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 114.748 -1.115 . . . . 73.22 108.341 165.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 42.3 p -70.06 154.19 42.25 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.915 0.486 . . . . 74.34 110.085 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 65.8 p -60.51 -48.07 83.39 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.985 0.914 . . . . 71.55 112.839 -172.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.479 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 36.3 p -58.9 -46.99 86.55 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.049 0.843 . . . . 75.31 110.895 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.561 HG21 HD21 ' B' ' 91' ' ' LEU . 49.5 mm -69.01 -42.28 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.25 0.62 . . . . 71.45 110.922 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.16 -42.33 90.47 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.392 0.677 . . . . 75.41 110.225 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.67 -46.46 89.65 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.91 0.884 . . . . 71.32 110.712 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' B' ' 49' ' ' THR . 31.0 mtpp -58.72 -44.23 90.37 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.925 0.766 . . . . 72.32 111.281 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 98.1 t -70.08 -43.2 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-N 115.472 -0.785 . . . . 73.21 110.625 -177.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.33 -33.3 74.05 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.282 0.633 . . . . 73.55 111.443 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.36 -44.31 68.37 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.486 0.715 . . . . 73.45 109.709 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . 0.438 ' CD2' HD21 ' B' ' 103' ' ' LEU . 88.6 t80 -60.63 -45.79 92.74 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.768 0.427 . . . . 72.22 110.446 175.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 89.5 m -59.59 -36.72 76.82 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 123.814 0.696 . . . . 71.03 110.683 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.419 ' NH2' HG13 ' B' ' 16' ' ' ILE . 35.1 ttm180 -65.06 -42.48 94.15 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.998 0.519 . . . . 74.51 110.996 175.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -62.59 -45.59 92.19 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.182 0.593 . . . . 73.34 110.866 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -77.68 -14.22 59.68 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.587 -0.733 . . . . 74.31 110.846 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -80.39 -36.12 34.35 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.645 -0.502 . . . . 74.34 109.645 173.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -73.53 -24.49 60.14 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.288 0.635 . . . . 65.23 110.71 175.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -126.76 73.99 75.43 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 124.118 0.967 . . . . 72.44 108.513 174.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -90.24 24.37 0.62 Allowed 'Trans proline' 0 C--N 1.385 2.469 0 C-N-CA 123.348 2.699 . . . . 64.24 113.306 -173.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.59 39.53 3.12 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 123.368 0.418 . . . . 71.23 112.955 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.0 -95.4 0.09 OUTLIER Glycine 0 C--N 1.353 1.526 0 C-N-CA 123.358 0.504 . . . . 73.32 112.963 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 70.0 m -136.79 132.57 34.89 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.471 1.108 . . . . 65.42 109.19 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -115.99 160.78 13.17 Favored Glycine 0 C--N 1.339 0.702 0 N-CA-C 111.094 -0.802 . . . . 61.52 111.094 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 48.2 tp -85.13 48.39 1.56 Allowed 'General case' 0 CA--C 1.563 1.472 0 CA-C-O 122.462 1.125 . . . . 71.31 110.091 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -159.07 22.57 0.2 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.232 1.013 . . . . 74.11 108.471 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -85.6 -159.32 0.44 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.402 1.081 . . . . 75.04 109.959 -174.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 34.0 mm 57.64 67.39 2.4 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 124.521 1.128 . . . . 73.44 109.825 -167.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -65.98 152.5 81.19 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.512 2.142 . . . . 75.44 111.813 173.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.8 -31.26 71.53 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 123.005 2.47 . . . . 74.21 111.973 172.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -56.3 -50.29 71.83 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.65 0.78 . . . . 71.43 112.105 175.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.05 -32.4 73.76 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.748 0.819 . . . . 74.42 111.334 -176.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -65.51 -46.63 78.9 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.83 0.707 . . . . 73.41 109.873 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.56 -24.26 63.68 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.319 0.648 . . . . 63.22 112.069 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.41 ' CZ ' HD23 ' B' ' 103' ' ' LEU . 58.8 t80 -70.1 -38.47 75.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.598 0.759 . . . . 73.33 109.175 175.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . 0.444 ' SG ' HG23 ' B' ' 110' ' ' THR . 72.4 m -72.04 -24.9 61.61 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.833 -1.076 . . . . 73.33 111.443 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -74.68 78.44 2.03 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.938 0.495 . . . . 74.2 109.745 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.432 HG11 ' HE2' ' B' ' 53' ' ' LYS . 16.4 m -143.8 154.72 15.9 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 C-N-CA 125.03 1.332 . . . . 73.01 107.86 175.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -67.99 163.55 21.98 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.302 0.641 . . . . 61.4 109.657 -175.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.486 ' HA ' HD13 ' B' ' 88' ' ' LEU . 27.4 tp60 -56.3 -47.35 99.04 Favored Pre-proline 0 N--CA 1.488 1.466 0 CA-C-O 118.84 -0.6 . . . . 72.0 112.524 -176.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . 0.587 ' HA ' HD12 ' A' ' 115' ' ' ILE . 24.3 Cg_endo -60.34 -35.41 91.38 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 121.522 1.482 . . . . 72.54 113.631 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.1 m -69.87 -29.6 66.86 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 123.977 0.911 . . . . 75.22 111.241 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' B' ' 85' ' ' GLN . 77.9 mt -59.17 -47.41 85.39 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.837 0.855 . . . . 74.12 110.662 171.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.405 ' CD2' HD11 ' A' ' 115' ' ' ILE . 59.0 m-85 -66.73 -29.38 69.35 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.45 -0.795 . . . . 63.53 111.698 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -66.4 -36.83 83.82 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.61 0.764 . . . . 64.45 111.692 173.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.561 HD21 HG21 ' B' ' 50' ' ' ILE . 94.1 mt -67.91 -36.72 80.67 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.169 0.588 . . . . 75.42 110.421 175.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.417 HD13 HD13 ' A' ' 92' ' ' ILE . 77.0 mt -67.12 -41.8 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.675 0.79 . . . . 74.23 109.921 175.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.439 HD21 ' HB3' ' A' ' 108' ' ' CYS . 10.9 mt -61.89 -49.52 75.88 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.288 0.635 . . . . 73.51 111.045 176.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.42 89.22 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.906 0.754 . . . . 73.12 111.093 -174.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.54 92.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.03 0.532 . . . . 75.32 111.255 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -73.76 -34.54 64.74 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.006 0.522 . . . . 73.33 110.698 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -70.84 -38.26 73.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.862 0.865 . . . . 75.34 110.783 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 89.0 mt -91.4 -6.92 52.1 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.757 0.823 . . . . 71.43 110.976 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.9 t70 54.19 65.51 1.49 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.959 1.303 . . . . 73.13 110.081 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.594 HG12 ' HA ' ' B' ' 24' ' ' SER . 35.6 mt -120.51 91.25 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 107.029 -1.471 . . . . 72.5 107.029 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -57.79 -44.94 99.8 Favored Pre-proline 0 CA--C 1.567 1.601 0 CA-C-O 118.008 -0.996 . . . . 75.53 111.282 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -49.35 -57.08 2.56 Favored 'Trans proline' 0 C--N 1.396 3.039 0 C-N-CA 122.169 1.913 . . . . 72.23 114.207 173.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' B' ' 57' ' ' TYR . 2.6 tm? -67.27 -38.94 85.91 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.804 0.442 . . . . 75.41 110.527 -175.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.584 HD21 HD21 ' A' ' 104' ' ' LEU . 53.1 tp -61.89 -42.28 98.88 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.922 0.764 . . . . 75.04 110.384 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -73.46 -38.07 65.57 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.541 -0.754 . . . . 63.22 110.21 -175.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 75.0 t -61.15 -46.56 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 122.955 0.502 . . . . 74.12 110.001 174.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 56.6 m -65.23 -40.87 94.64 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.199 0.6 . . . . 72.2 111.115 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 93.1 m -66.19 -37.42 85.56 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.559 0.744 . . . . 74.23 110.876 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.94 -51.1 59.34 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.739 0.416 . . . . 72.45 109.882 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' THR . . . . . 0.444 HG23 ' SG ' ' B' ' 81' ' ' CYS . 98.6 m -57.51 -51.33 69.89 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.039 0.837 . . . . 72.11 111.949 -175.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.4 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 35.6 m -61.82 -34.69 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 122.73 0.412 . . . . 72.31 110.714 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.1 -34.84 66.43 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.347 0.659 . . . . 73.4 111.275 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -72.59 -40.3 66.67 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.173 0.589 . . . . 64.13 110.944 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.4 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 63.6 mtm -70.31 -40.02 74.47 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.014 0.526 . . . . 75.54 111.479 -175.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.6 pt -71.0 -22.34 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 122.665 0.386 . . . . 73.23 111.792 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -91.29 -18.92 23.58 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.669 0.787 . . . . 75.25 110.743 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.282 0 CA-C-O 118.988 -0.896 . . . . 62.41 112.478 -178.326 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.242 0.704 0 CA-C-O 120.61 0.243 . . . . 74.33 110.492 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.5 mt -84.61 123.17 30.03 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.254 -0.647 . . . . 75.15 109.254 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.55 HG12 ' HA ' ' A' ' 38' ' ' ASP . 13.8 m -89.25 136.01 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 109.062 -0.718 . . . . 74.31 109.062 168.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.536 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 64.2 mttp -83.8 120.0 25.51 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.585 -0.734 . . . . 74.51 109.674 -178.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.461 HD23 HD13 ' A' ' 27' ' ' ILE . 9.2 mp -109.41 95.83 5.88 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.563 0.745 . . . . 71.32 109.265 177.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -80.75 121.85 26.42 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.91 -0.774 . . . . 75.52 108.91 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -82.35 174.99 10.61 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.349 0.66 . . . . 73.44 110.811 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.6 t -65.59 -22.08 66.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.93 0.892 . . . . 70.21 111.181 172.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.45 5.12 36.64 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.951 0.901 . . . . 71.02 111.031 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 74.01 5.45 4.74 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.938 1.295 . . . . 73.15 112.784 171.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -90.79 127.72 36.44 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.019 0.528 . . . . 73.43 109.888 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.6 t -96.33 124.05 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 C-N-CA 124.294 1.038 . . . . 75.24 110.447 -175.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -109.4 106.46 16.25 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.398 1.079 . . . . 75.51 109.119 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 41.4 mt-10 -77.98 83.38 4.29 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.104 0.562 . . . . 73.22 109.487 178.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.5 151.97 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 108.7 -0.852 . . . . 72.21 108.7 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.15 132.36 53.45 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.272 0.629 . . . . 64.12 109.435 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -53.42 -40.5 65.19 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.089 0.868 . . . . 74.54 111.351 -175.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -61.08 -33.91 74.07 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.953 0.901 . . . . 73.31 112.446 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.4 mt -79.05 -31.84 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.371 0.668 . . . . 72.01 110.123 177.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.3 -21.05 59.91 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.161 0.584 . . . . 74.31 111.92 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.6 m -73.48 -23.23 60.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.566 0.746 . . . . 64.15 111.765 175.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.414 ' HE3' ' HB3' ' A' ' 61' ' ' HIS . 79.7 mtp -60.84 -38.05 84.15 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.442 0.639 . . . . 74.54 110.293 173.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.42 ' HA ' HG12 ' A' ' 100' ' ' ILE . 48.0 t -73.72 112.86 10.22 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 114.545 -1.207 . . . . 74.11 108.434 170.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.58 -45.08 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 123.177 0.591 . . . . 72.15 111.219 -175.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.436 HG23 ' HE1' ' A' ' 30' ' ' MET . 42.4 m -64.84 -48.93 72.56 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.093 0.557 . . . . 71.05 111.864 -177.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.461 HD13 HD23 ' A' ' 6' ' ' LEU . 92.8 mt -62.61 -41.31 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 C-N-CA 123.181 0.592 . . . . 74.45 110.399 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -56.98 -47.66 80.25 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.091 0.956 . . . . 74.1 110.249 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -65.52 -32.65 74.36 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.43 0.692 . . . . 75.44 111.291 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.436 ' HE1' HG23 ' A' ' 26' ' ' THR . 61.9 mtt -63.76 -43.99 94.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.193 0.597 . . . . 74.43 110.718 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.56 -43.26 87.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.585 -0.734 . . . . 74.54 110.121 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.7 -27.91 65.39 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.556 0.743 . . . . 75.52 111.833 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.14 -39.49 71.95 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.492 0.717 . . . . 62.13 110.315 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.6 mt -79.81 -11.5 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 CA-C-N 115.19 -0.914 . . . . 72.15 109.502 172.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.88 -73.23 1.18 Allowed Glycine 0 C--N 1.348 1.221 0 N-CA-C 110.64 -0.984 . . . . 34.35 110.64 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -137.79 107.39 6.2 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.386 -0.968 . . . . 75.32 108.386 177.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.7 p -141.56 106.39 4.92 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.056 0.542 . . . . 72.23 111.033 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.55 ' HA ' HG12 ' A' ' 4' ' ' VAL . 8.8 p-10 -89.48 -17.03 29.45 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.832 0.853 . . . . 74.35 109.828 168.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -56.95 151.66 32.33 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 124.936 1.295 . . . . 74.54 111.757 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.16 105.91 0.13 Allowed 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 123.266 2.644 . . . . 75.43 114.03 -173.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -71.39 108.58 4.04 Favored Pre-proline 0 CA--C 1.558 1.255 0 N-CA-C 108.229 -1.026 . . . . 75.05 108.229 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.11 126.36 7.77 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.352 2.034 . . . . 75.24 111.06 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.6 mt -115.31 88.27 18.19 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.139 0.976 . . . . 71.21 108.702 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -85.78 62.74 5.41 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.564 2.843 . . . . 74.25 111.414 -174.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -161.94 -58.02 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.004 -0.998 . . . . 75.45 108.846 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.63 128.64 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 CA-C-N 115.468 -0.787 . . . . 72.25 110.037 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.8 p -80.26 175.7 10.42 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.235 0.614 . . . . 73.42 110.703 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.9 p -65.79 -47.82 73.83 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.57 0.748 . . . . 74.22 112.38 -173.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.8 p -63.28 -39.33 94.29 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.633 0.773 . . . . 72.12 111.134 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.636 HG21 HD22 ' A' ' 91' ' ' LEU . 50.4 mm -72.81 -46.52 52.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.23 -0.896 . . . . 75.54 109.765 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 6' ' ' LEU . 44.9 tp -62.7 -34.67 77.63 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.345 0.658 . . . . 73.44 111.203 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.5 -51.82 67.84 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.03 0.932 . . . . 72.12 110.152 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HB3' ' HE1' ' A' ' 80' ' ' PHE . 28.4 mtmm -62.12 -41.94 98.74 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.101 -0.954 . . . . 73.53 111.904 178.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.417 ' HA ' HD22 ' A' ' 103' ' ' LEU . 40.8 t -63.26 -45.89 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 C-N-CA 123.74 0.816 . . . . 74.31 110.781 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.03 -36.0 72.2 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.938 0.495 . . . . 74.41 111.171 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.465 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 33.3 t70 -70.83 -35.62 72.54 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.77 0.669 . . . . 71.34 110.654 -177.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.705 ' HH ' HG23 ' A' ' 106' ' ' VAL . 66.4 t80 -66.23 -44.98 82.27 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.976 -0.556 . . . . 74.12 109.751 174.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.38 -30.61 71.32 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.778 0.831 . . . . 75.4 111.738 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.465 ' HD2' ' HA ' ' A' ' 56' ' ' ASP . 90.2 mtt-85 -56.99 -53.91 52.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.106 0.563 . . . . 74.52 110.531 172.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -59.11 -42.72 91.2 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 123.704 0.627 . . . . 75.14 111.395 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.414 ' HB3' ' HE3' ' A' ' 23' ' ' MET . 61.9 t-80 -63.26 -31.91 73.18 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 123.879 0.737 . . . . 73.04 111.245 -178.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -82.76 -46.31 13.29 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.638 0.775 . . . . 74.24 112.124 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -70.94 -28.35 64.42 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.889 0.875 . . . . 74.21 110.89 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -120.37 86.27 38.5 Favored Pre-proline 0 C--O 1.242 0.706 0 N-CA-C 107.321 -1.363 . . . . 71.31 107.321 170.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -53.37 99.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 123.288 2.658 . . . . 61.23 113.329 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.7 -95.37 0.1 Allowed Glycine 0 C--N 1.336 0.537 0 N-CA-C 109.997 -1.241 . . . . 71.41 109.997 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.39 -141.22 12.61 Favored Glycine 0 C--N 1.349 1.263 0 C-N-CA 122.933 0.301 . . . . 62.11 112.67 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.0 m -75.5 104.06 5.89 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.254 0.622 . . . . 73.12 110.161 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.32 150.17 50.8 Favored Glycine 0 C--N 1.345 1.053 0 O-C-N 123.707 0.629 . . . . 74.13 112.228 173.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.59 99.71 0.46 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.991 0.916 . . . . 73.04 109.6 -175.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t70 74.28 -5.25 2.12 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 125.57 1.548 . . . . 73.34 111.598 -176.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.96 -64.09 1.12 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.742 0.817 . . . . 72.44 109.568 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm 56.97 101.37 0.04 OUTLIER Pre-proline 0 CA--C 1.563 1.462 0 C-N-CA 125.291 1.437 . . . . 74.53 111.829 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.9 148.37 88.9 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.866 2.377 . . . . 74.41 113.45 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.44 -57.27 2.45 Favored 'Trans proline' 0 C--N 1.387 2.605 0 C-N-CA 124.613 3.542 . . . . 64.0 115.527 -171.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -52.75 -45.84 67.22 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.228 0.611 . . . . 75.21 111.202 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.82 -26.96 62.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.686 1.194 . . . . 73.1 110.529 -171.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -74.11 -37.06 64.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.797 0.839 . . . . 74.21 110.326 173.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -70.46 -28.4 64.98 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.863 0.465 . . . . 72.0 110.922 174.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.414 ' HE1' ' HB3' ' A' ' 53' ' ' LYS . 79.8 t80 -63.52 -36.14 82.79 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.834 0.854 . . . . 74.14 110.487 175.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.8 m -65.7 -28.65 69.22 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.66 -0.7 . . . . 75.34 111.69 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -91.08 86.98 6.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.14 0.576 . . . . 71.25 109.716 -177.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.77 -179.23 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.26 1.024 . . . . 64.21 109.283 173.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.31 152.15 45.86 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.499 0.72 . . . . 73.5 109.554 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -59.09 -53.5 65.71 Favored Pre-proline 0 CA--C 1.569 1.694 0 C-N-CA 123.625 0.77 . . . . 75.02 112.692 -172.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.428 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 53.7 Cg_exo -57.29 -43.51 51.74 Favored 'Trans proline' 0 C--N 1.39 2.734 0 C-N-CA 122.163 1.909 . . . . 61.24 112.728 171.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.1 m -57.86 -33.56 68.8 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.595 1.158 . . . . 71.54 112.024 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.44 -45.42 83.9 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.958 0.903 . . . . 72.24 109.239 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -67.38 -31.15 71.19 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.961 -0.563 . . . . 75.11 111.414 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 23.5 mm-40 -66.4 -36.65 83.36 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.974 0.51 . . . . 72.25 111.105 175.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.636 HD22 HG21 ' A' ' 50' ' ' ILE . 97.6 mt -68.16 -35.77 78.6 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.487 0.715 . . . . 72.12 110.815 175.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.58 -46.03 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.364 0.666 . . . . 63.25 109.977 175.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.39 -38.68 92.09 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.852 0.861 . . . . 72.55 111.022 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.78 -37.52 70.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.685 0.794 . . . . 70.41 111.152 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.502 ' HB3' HD13 ' A' ' 103' ' ' LEU . . . -69.16 -29.03 66.97 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.397 0.679 . . . . 75.24 111.719 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' B' ' 105' ' ' ASP . 20.5 t30 -76.22 -50.02 15.6 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.882 0.873 . . . . 75.22 110.336 172.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -61.67 -36.34 80.55 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.34 1.056 . . . . 74.12 111.93 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.8 mt -99.54 -13.01 19.63 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.6 0.76 . . . . 70.14 111.119 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.1 t70 47.11 82.84 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.435 1.494 . . . . 74.4 112.09 -172.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 24' ' ' SER . 38.5 mt -125.83 103.55 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 107.431 -1.322 . . . . 72.45 107.431 174.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -57.1 -46.64 99.84 Favored Pre-proline 0 CA--C 1.561 1.388 0 C-N-CA 124.095 0.958 . . . . 74.12 113.432 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.3 -38.39 94.95 Favored 'Trans proline' 0 C--N 1.397 3.094 0 C-N-CA 122.147 1.898 . . . . 74.15 113.516 174.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -70.71 -46.95 62.15 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.914 -0.773 . . . . 73.22 108.914 -179.165 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.3 tp -65.11 -47.91 75.5 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.632 -1.167 . . . . 74.14 111.012 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.504 ' HA ' ' ND2' ' B' ' 96' ' ' ASN . 34.7 t70 -62.15 -51.01 69.58 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 124.23 0.956 . . . . 72.33 110.736 -175.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.705 HG23 ' HH ' ' A' ' 57' ' ' TYR . 37.6 t -61.09 -52.65 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 O-C-N 124.217 0.948 . . . . 73.1 112.373 -177.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.443 HG23 ' HB2' ' A' ' 91' ' ' LEU . 31.1 m -68.96 -41.13 78.41 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 111.976 0.361 . . . . 73.12 111.976 -172.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 85.7 m -70.07 -30.61 67.9 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.039 0.536 . . . . 73.41 110.88 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.404 ' HB2' ' HE3' ' A' ' 109' ' ' LYS . 31.9 ttmt -73.52 -32.16 64.09 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.435 0.694 . . . . 74.24 110.068 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.1 m -62.91 -49.03 76.41 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.392 0.677 . . . . 74.44 111.399 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.429 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 14.9 p -65.05 -33.21 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 123.028 0.205 . . . . 65.41 110.453 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.25 -30.3 70.16 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.671 0.788 . . . . 74.03 111.797 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -79.12 -31.08 44.04 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.675 0.79 . . . . 63.12 110.671 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.429 ' HE3' ' HA ' ' A' ' 111' ' ' VAL . 41.1 mtm -70.53 -43.9 68.65 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.975 0.51 . . . . 75.31 110.472 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 pt -71.78 -32.73 45.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 N-CA-C 109.592 -0.521 . . . . 74.01 109.592 175.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 54.42 82.87 0.08 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.067 1.347 . . . . 74.43 111.703 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.251 0 CA-C-O 118.98 -0.9 . . . . 64.13 113.133 178.019 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.689 0.281 . . . . 75.33 110.436 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 80.5 mt -87.03 121.84 30.04 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.771 -0.65 . . . . 73.32 109.605 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' B' ' 38' ' ' ASP . 12.7 m -87.56 136.09 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.985 -0.746 . . . . 73.33 108.985 169.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.561 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 64.1 mttp -83.96 120.23 25.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.581 -0.736 . . . . 74.03 109.656 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.465 HD23 HD13 ' B' ' 27' ' ' ILE . 9.2 mp -109.7 95.54 5.67 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.683 0.793 . . . . 73.32 109.265 177.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.64 121.99 26.54 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.017 -0.735 . . . . 73.4 109.017 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -82.51 175.19 10.4 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 123.381 0.673 . . . . 75.12 111.114 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -64.33 -24.28 67.59 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.049 0.94 . . . . 64.44 111.17 172.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -85.63 5.79 30.29 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.817 0.847 . . . . 75.23 110.849 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 73.31 6.4 5.16 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.785 1.234 . . . . 75.24 112.822 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.06 128.54 37.94 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.029 0.531 . . . . 73.32 109.724 176.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 80.3 t -97.72 123.37 50.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 124.242 1.017 . . . . 75.3 110.334 -174.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.92 106.19 16.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.303 1.041 . . . . 73.44 109.171 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.561 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 40.3 mt-10 -77.89 83.13 4.23 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 123.228 0.611 . . . . 75.12 109.498 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.16 151.92 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.338 -0.846 . . . . 75.52 108.816 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.48 132.42 53.85 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 109.368 -0.604 . . . . 74.4 109.368 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -53.64 -39.82 65.32 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 124.119 0.887 . . . . 72.55 111.454 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.07 -35.92 78.24 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 124.058 0.849 . . . . 73.3 111.862 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 52.1 mt -76.73 -32.52 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 123.769 0.828 . . . . 73.44 110.333 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.36 -20.58 60.03 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.107 0.563 . . . . 63.22 112.036 176.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 74.4 m -74.05 -22.99 59.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.675 0.79 . . . . 72.33 111.679 175.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' MET . . . . . 0.408 ' HE3' ' HB3' ' B' ' 61' ' ' HIS . 81.9 mtp -61.5 -37.79 84.99 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.454 0.645 . . . . 73.0 110.203 173.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.438 ' HA ' HG12 ' B' ' 100' ' ' ILE . 48.4 t -73.55 112.97 10.14 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.563 -1.199 . . . . 73.21 108.579 169.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 97.3 t -63.81 -45.3 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 123.285 0.634 . . . . 74.04 111.324 -175.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.412 HG23 ' HE1' ' B' ' 30' ' ' MET . 38.0 m -64.32 -48.71 74.57 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.202 0.601 . . . . 74.25 112.09 -177.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.465 HD13 HD23 ' B' ' 6' ' ' LEU . 93.5 mt -62.99 -41.51 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 123.235 0.614 . . . . 73.32 110.26 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -56.35 -48.4 76.87 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.195 0.998 . . . . 73.04 110.331 174.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.92 -31.86 73.03 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.496 0.718 . . . . 74.14 111.284 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.412 ' HE1' HG23 ' B' ' 26' ' ' THR . 60.6 mtt -64.53 -43.7 93.16 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.183 0.593 . . . . 74.42 110.639 177.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.22 -43.01 88.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.577 -0.738 . . . . 74.3 110.067 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -70.42 -27.9 64.64 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.747 0.819 . . . . 73.34 112.04 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -70.16 -41.22 74.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.716 0.806 . . . . 70.14 110.234 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 57.7 mt -77.6 -14.49 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 CA-C-N 114.987 -1.006 . . . . 74.52 109.461 172.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.59 -73.1 0.9 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 110.741 -0.944 . . . . 63.1 110.741 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -137.48 107.13 6.19 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 108.389 -0.967 . . . . 73.14 108.389 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 38.4 p -142.03 106.61 4.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.255 0.622 . . . . 73.31 111.073 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.549 ' HA ' HG12 ' B' ' 4' ' ' VAL . 8.8 p-10 -91.54 -12.96 32.95 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.67 0.788 . . . . 73.22 110.045 169.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -58.87 151.91 51.86 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 124.73 1.212 . . . . 51.12 111.593 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.23 106.69 0.15 Allowed 'Trans proline' 0 C--N 1.386 2.504 0 C-N-CA 123.237 2.625 . . . . 72.21 113.777 -174.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -72.34 108.97 4.92 Favored Pre-proline 0 CA--C 1.555 1.137 0 N-CA-C 108.009 -1.108 . . . . 73.22 108.009 171.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.7 127.61 8.88 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.242 1.961 . . . . 72.12 110.834 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.1 mt -116.68 88.11 23.74 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.051 0.94 . . . . 73.11 108.666 -177.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -85.73 63.12 5.51 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 123.65 2.9 . . . . 75.35 111.679 -173.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -162.62 -56.8 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.009 -0.996 . . . . 73.33 108.882 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.52 128.46 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 115.382 -0.826 . . . . 74.43 110.119 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 77.4 p -79.86 174.76 11.26 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.216 0.607 . . . . 72.23 110.617 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 70.5 p -64.75 -48.18 75.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.445 0.698 . . . . 50.41 112.233 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -63.32 -39.01 93.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.735 0.814 . . . . 72.21 111.045 -176.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.639 HG21 HD22 ' B' ' 91' ' ' LEU . 50.2 mm -72.95 -46.7 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.232 -0.894 . . . . 71.01 109.719 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.445 HD21 ' HB3' ' B' ' 6' ' ' LEU . 45.2 tp -62.5 -34.83 77.64 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.572 0.749 . . . . 75.02 111.124 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -52.04 66.79 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.997 0.919 . . . . 72.35 109.952 176.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.402 ' HB3' ' HE1' ' B' ' 80' ' ' PHE . 28.4 mtmm -61.93 -41.65 98.19 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.087 -0.961 . . . . 71.2 111.802 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.424 ' HA ' HD22 ' B' ' 103' ' ' LEU . 40.8 t -63.35 -45.58 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 123.751 0.821 . . . . 72.53 110.86 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.4 -36.18 71.28 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 116.108 -0.496 . . . . 70.13 111.179 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . 0.445 ' HA ' ' HD2' ' B' ' 59' ' ' ARG . 35.8 t70 -71.21 -35.46 71.52 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.834 0.709 . . . . 73.12 110.717 -177.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . 0.702 ' HH ' HG23 ' B' ' 106' ' ' VAL . 66.8 t80 -65.52 -45.06 84.96 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 122.937 0.495 . . . . 74.24 109.88 174.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 92.7 m -62.43 -30.45 71.24 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.62 0.768 . . . . 73.51 111.74 177.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.445 ' HD2' ' HA ' ' B' ' 56' ' ' ASP . 90.4 mtt-85 -57.23 -53.75 54.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.081 0.553 . . . . 73.32 110.507 172.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -59.17 -43.35 92.14 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 123.653 0.596 . . . . 75.43 111.431 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.408 ' HB3' ' HE3' ' B' ' 23' ' ' MET . 63.1 t-80 -62.48 -33.65 75.28 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.984 0.803 . . . . 73.25 111.125 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -80.95 -46.96 14.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.495 0.718 . . . . 75.41 111.825 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -70.45 -27.94 64.64 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.023 0.929 . . . . 73.21 111.003 -174.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -121.05 85.22 40.64 Favored Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 107.2 -1.407 . . . . 74.41 107.2 171.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -53.73 97.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.386 2.504 0 C-N-CA 123.613 2.875 . . . . 70.44 113.203 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.59 -94.03 0.1 OUTLIER Glycine 0 C--N 1.332 0.354 0 N-CA-C 109.789 -1.324 . . . . 75.32 109.789 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.59 -140.91 12.32 Favored Glycine 0 C--N 1.348 1.234 0 C-N-CA 122.956 0.313 . . . . 72.53 113.05 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.8 m -77.1 103.82 7.25 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 123.574 0.75 . . . . 72.02 110.166 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.65 151.06 51.05 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 115.788 -0.642 . . . . 74.21 112.559 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.03 99.65 0.37 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.076 0.95 . . . . 74.52 109.63 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 26.5 t70 73.94 -5.4 2.04 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 125.829 1.652 . . . . 73.21 111.959 -176.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -73.69 -64.91 0.9 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.797 0.839 . . . . 74.31 109.544 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm 56.7 100.78 0.04 OUTLIER Pre-proline 0 CA--C 1.563 1.467 0 C-N-CA 125.033 1.333 . . . . 75.14 111.778 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.61 148.26 88.31 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.89 2.393 . . . . 75.11 113.19 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.63 -55.75 3.81 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 124.664 3.576 . . . . 74.52 115.459 -171.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -53.66 -46.87 70.73 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.342 0.657 . . . . 74.5 111.29 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.49 -27.05 63.91 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.647 1.179 . . . . 74.13 110.385 -172.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -74.27 -37.52 63.7 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.041 0.937 . . . . 54.35 110.38 173.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . 0.451 ' HA ' ' HE2' ' B' ' 82' ' ' LYS . 13.7 m-20 -69.31 -30.45 68.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.796 0.439 . . . . 75.21 110.671 174.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.402 ' HE1' ' HB3' ' B' ' 53' ' ' LYS . 78.4 t80 -61.82 -36.43 81.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.143 0.977 . . . . 62.45 110.451 176.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 58.2 m -65.78 -28.98 69.42 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.644 -0.707 . . . . 73.32 111.653 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' B' ' 79' ' ' ASP . 49.0 mtmt -90.5 89.21 7.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.1 0.56 . . . . 73.31 109.515 -178.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -128.1 -179.78 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.436 1.094 . . . . 72.11 109.069 173.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.73 152.63 45.29 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.444 0.698 . . . . 74.15 109.488 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -59.2 -53.81 62.54 Favored Pre-proline 0 CA--C 1.569 1.704 0 CA-C-O 118.257 -0.878 . . . . 74.03 112.799 -172.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . 0.425 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 53.7 Cg_exo -56.76 -43.71 52.05 Favored 'Trans proline' 0 C--N 1.392 2.85 0 C-N-CA 122.163 1.909 . . . . 72.15 112.463 171.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 87.5 m -57.75 -33.46 68.5 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.434 1.093 . . . . 75.41 112.209 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.74 -45.0 84.26 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.66 0.784 . . . . 75.32 109.25 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.404 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 35.0 m-85 -67.73 -31.14 70.85 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.879 -0.601 . . . . 75.54 111.324 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 33.2 mm-40 -66.54 -36.64 83.17 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.021 0.528 . . . . 74.3 111.107 176.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.639 HD22 HG21 ' B' ' 50' ' ' ILE . 97.6 mt -68.15 -35.34 77.93 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.626 0.77 . . . . 73.55 110.899 175.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.81 -46.22 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.452 0.701 . . . . 74.53 110.021 175.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 95.3 mt -63.43 -38.69 92.11 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.808 0.843 . . . . 72.35 110.911 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.72 -37.59 70.6 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.554 0.741 . . . . 72.12 111.077 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.492 ' HB3' HD13 ' B' ' 103' ' ' LEU . . . -69.28 -29.13 66.94 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.372 0.669 . . . . 51.33 111.65 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . 0.504 ' ND2' ' HA ' ' A' ' 105' ' ' ASP . 21.2 t30 -76.39 -50.24 14.69 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.57 0.748 . . . . 75.01 110.136 172.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -61.4 -35.82 78.59 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.329 1.052 . . . . 64.42 111.881 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.6 mt -99.92 -12.81 19.49 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.7 0.8 . . . . 73.14 111.223 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 38.2 t70 47.53 81.31 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.696 1.598 . . . . 64.23 112.222 -173.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.438 HG12 ' HA ' ' B' ' 24' ' ' SER . 37.5 mt -124.71 103.11 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 107.445 -1.317 . . . . 74.33 107.445 175.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -56.79 -46.5 99.84 Favored Pre-proline 0 CA--C 1.562 1.406 0 C-N-CA 124.044 0.938 . . . . 74.32 113.472 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.55 -38.29 94.29 Favored 'Trans proline' 0 C--N 1.397 3.131 0 C-N-CA 122.049 1.833 . . . . 65.54 113.535 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' B' ' 95' ' ' ALA . 0.2 OUTLIER -70.75 -46.92 62.1 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.886 -0.783 . . . . 73.31 108.886 -179.145 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 38.8 tp -65.37 -47.69 75.51 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 114.594 -1.184 . . . . 64.12 111.086 -172.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.432 ' HA ' ' ND2' ' A' ' 96' ' ' ASN . 34.1 t70 -61.88 -51.76 66.86 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 124.065 0.853 . . . . 75.22 110.534 -175.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.702 HG23 ' HH ' ' B' ' 57' ' ' TYR . 37.5 t -60.61 -52.94 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 124.274 0.984 . . . . 64.04 112.421 -177.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.451 HG23 ' HB2' ' B' ' 91' ' ' LEU . 31.2 m -68.59 -41.12 80.08 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 111.997 0.369 . . . . 71.43 111.997 -172.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.42 -29.97 66.72 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.961 0.504 . . . . 74.54 111.093 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -73.75 -32.87 64.05 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.599 0.759 . . . . 73.22 109.898 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 98.5 m -62.54 -49.42 75.39 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.711 0.804 . . . . 64.33 111.247 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.446 ' HA ' ' HE3' ' B' ' 114' ' ' MET . 14.9 p -64.71 -33.18 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 122.997 0.186 . . . . 70.04 110.559 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.42 -28.78 67.37 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.599 0.76 . . . . 70.45 111.611 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -79.38 -31.73 42.92 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.644 0.778 . . . . 74.3 110.738 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.446 ' HE3' ' HA ' ' B' ' 111' ' ' VAL . 39.7 mtm -70.3 -42.63 71.77 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.051 0.54 . . . . 74.22 110.533 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.1 pt -72.75 -32.74 41.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 N-CA-C 109.679 -0.489 . . . . 74.42 109.679 175.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 53.54 83.91 0.06 Allowed 'General case' 0 C--N 1.36 1.028 0 C-N-CA 125.08 1.352 . . . . 75.11 111.655 175.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 CA-C-N 115.606 -0.725 . . . . 72.12 113.379 179.28 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 110.276 -0.268 . . . . 75.15 110.276 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.2 mt -91.07 123.42 34.52 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.742 0.817 . . . . 75.31 110.388 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 m -91.11 130.71 39.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 108.867 -0.79 . . . . 63.43 108.867 166.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.512 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 96.4 mttt -85.33 94.65 9.0 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.639 0.776 . . . . 74.14 109.793 -174.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.443 HD13 HD12 ' A' ' 27' ' ' ILE . 81.8 mt -93.17 92.49 7.79 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.681 -0.488 . . . . 63.21 109.681 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 43.2 tt0 -75.67 135.4 40.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.536 -0.756 . . . . 75.14 109.386 175.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.7 p -82.05 175.47 10.32 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 123.561 0.744 . . . . 74.21 110.765 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.0 p -63.98 -25.85 68.32 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.248 0.619 . . . . 74.42 110.532 170.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -83.57 8.67 13.45 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.203 1.001 . . . . 71.03 111.407 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 71.08 5.88 5.63 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.602 1.161 . . . . 71.1 113.72 172.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -92.15 123.49 35.54 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.511 -0.552 . . . . 72.21 109.511 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.496 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 46.4 t -87.63 124.02 40.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 123.676 0.791 . . . . 62.35 110.257 -175.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -110.14 101.54 10.32 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.002 0.921 . . . . 74.24 108.906 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.512 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 38.5 mt-10 -81.84 95.24 7.25 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.359 0.664 . . . . 73.44 109.462 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 tp -104.22 152.23 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.047 -1.094 . . . . 73.55 108.047 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.6 142.11 57.59 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.882 -0.414 . . . . 64.22 109.882 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.92 -40.89 97.52 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.461 0.704 . . . . 74.34 111.167 -174.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -56.04 -27.63 54.02 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.515 1.126 . . . . 73.41 112.486 176.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.4 mt -81.55 -45.86 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 124.081 0.952 . . . . 64.21 109.611 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.04 -9.44 58.63 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.041 0.936 . . . . 74.44 112.564 -175.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.3 m -69.88 -29.64 66.9 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.68 0.792 . . . . 74.25 111.494 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 50.8 mtm -66.09 -26.24 67.39 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.105 0.562 . . . . 74.32 110.486 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.6 t -74.19 102.76 4.38 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 107.937 -1.134 . . . . 73.41 107.937 167.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 74.9 t -59.22 -44.39 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.504 0.722 . . . . 62.33 111.129 -176.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.1 m -60.44 -51.64 68.6 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.396 0.679 . . . . 55.43 111.834 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.443 HD12 HD13 ' A' ' 6' ' ' LEU . 86.6 mt -64.91 -43.35 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.106 0.562 . . . . 64.52 110.808 -178.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -58.29 -48.18 81.28 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.614 0.766 . . . . 75.33 110.181 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -64.44 -32.68 74.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.796 0.839 . . . . 75.41 111.435 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.9 mtt -67.06 -43.52 82.44 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.935 0.494 . . . . 70.15 110.7 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.5 -44.37 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.48 0.712 . . . . 71.12 109.929 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -75.41 -25.0 57.22 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.807 0.843 . . . . 64.34 111.734 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.34 -40.49 74.07 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.738 0.815 . . . . 71.43 109.952 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.419 HG23 ' HB2' ' A' ' 37' ' ' SER . 59.8 mt -76.04 -26.49 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.19 -0.914 . . . . 74.41 109.789 172.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.52 -75.99 0.85 Allowed Glycine 0 C--N 1.346 1.125 0 N-CA-C 110.01 -1.236 . . . . 53.13 110.01 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -137.11 137.5 39.34 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.555 1.142 . . . . 75.2 108.347 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.419 ' HB2' HG23 ' A' ' 34' ' ' ILE . 40.0 t -149.58 107.28 3.67 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.326 0.65 . . . . 75.43 110.347 -176.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -83.58 -20.55 33.57 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.487 0.715 . . . . 63.12 110.27 175.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.5 p -65.17 139.79 97.72 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 123.385 0.674 . . . . 65.42 110.225 175.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -57.56 132.75 52.31 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.886 2.391 . . . . 54.44 112.298 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -87.45 107.23 14.09 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 108.107 -1.071 . . . . 75.21 108.107 176.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -90.0 122.28 1.03 Allowed 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.71 2.273 . . . . 75.22 112.021 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -98.95 101.16 11.43 Favored Pre-proline 0 CA--C 1.548 0.891 0 N-CA-C 108.58 -0.896 . . . . 74.22 108.58 175.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.77 50.63 3.22 Favored 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 123.107 2.538 . . . . 72.41 112.641 -175.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -148.39 -56.5 0.22 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.84 0.856 . . . . 74.23 109.419 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -80.93 121.12 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 CA-C-N 115.954 -0.567 . . . . 73.45 110.092 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.1 p -75.19 170.97 14.99 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.356 0.663 . . . . 73.42 110.574 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.8 p -65.79 -41.63 91.72 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.213 0.605 . . . . 74.12 111.45 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.1 m -58.34 -41.9 85.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.355 1.062 . . . . 72.54 111.16 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.613 HG21 HD21 ' A' ' 91' ' ' LEU . 44.5 mm -80.47 -46.14 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.572 -0.74 . . . . 72.15 110.556 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.34 -29.57 70.55 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.126 0.97 . . . . 73.22 111.075 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -51.92 -52.33 50.71 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.08 0.952 . . . . 73.33 110.191 171.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -77.75 -33.89 52.69 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.131 0.972 . . . . 73.11 112.574 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.536 HG11 HD13 ' A' ' 98' ' ' LEU . 54.9 t -59.83 -50.9 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 109.668 -0.493 . . . . 74.43 109.668 178.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.81 -26.11 59.49 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.658 0.783 . . . . 73.22 111.818 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.34 -53.13 61.31 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.186 0.594 . . . . 73.24 110.607 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -68.11 -36.46 79.79 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.857 0.723 . . . . 72.02 110.491 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.603 ' SG ' HD11 ' A' ' 100' ' ' ILE . 90.7 m -60.43 -42.88 96.99 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.163 0.289 . . . . 65.02 110.83 177.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -65.44 -44.65 86.62 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.018 -0.734 . . . . 74.33 109.018 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -57.54 -37.57 73.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.604 1.162 . . . . 71.02 111.824 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -79.44 -20.93 46.25 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.662 0.785 . . . . 73.21 110.88 -176.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -81.99 -38.15 25.55 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 116.303 -0.408 . . . . 74.11 109.907 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -71.41 -37.86 71.48 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.513 0.725 . . . . 74.31 110.205 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -126.1 101.39 28.86 Favored Pre-proline 0 N--CA 1.469 0.479 0 C-N-CA 124.647 1.179 . . . . 74.33 107.844 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -49.62 -25.42 11.07 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 124.156 3.238 . . . . 73.23 114.91 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.01 -43.11 0.92 Allowed Glycine 0 C--N 1.342 0.868 0 N-CA-C 111.164 -0.774 . . . . 64.1 111.164 176.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.33 -78.19 0.7 Allowed Glycine 0 C--N 1.352 1.42 0 N-CA-C 110.998 -0.841 . . . . 72.54 110.998 -177.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.6 m 61.41 26.89 16.59 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.84 1.256 . . . . 73.02 112.162 170.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.8 -61.75 5.32 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-N 115.983 -0.553 . . . . 74.31 112.102 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.4 tp -170.53 -55.28 0.02 OUTLIER 'General case' 0 C--N 1.351 0.642 0 C-N-CA 123.923 0.889 . . . . 71.21 110.111 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -94.75 31.43 1.82 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.077 0.951 . . . . 74.24 110.443 -171.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.74 59.6 4.23 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.728 0.811 . . . . 71.43 110.526 -173.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.5 mp -117.86 83.35 18.38 Favored Pre-proline 0 CA--C 1.552 1.054 0 N-CA-C 107.17 -1.418 . . . . 74.24 107.17 170.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.92 143.54 45.51 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.107 1.872 . . . . 73.24 111.82 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.57 -26.72 38.07 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 123.209 2.606 . . . . 62.12 113.06 173.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -58.43 -52.51 65.33 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.426 1.09 . . . . 74.05 110.269 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.47 -28.35 63.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.045 0.938 . . . . 74.14 111.116 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -66.1 -39.38 89.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.546 0.738 . . . . 75.4 110.544 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.93 -29.26 60.91 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.494 0.718 . . . . 71.23 110.96 174.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -64.88 -39.86 94.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.866 0.866 . . . . 74.43 110.433 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.0 m -73.54 -6.25 45.29 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.983 0.913 . . . . 72.5 112.642 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -80.07 77.01 6.79 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.236 0.541 . . . . 74.21 109.984 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.4 m -137.37 175.44 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.933 0.893 . . . . 73.33 109.769 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -75.47 163.48 27.35 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.103 0.561 . . . . 72.13 111.112 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.417 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 56.7 tp60 -62.01 -48.4 88.66 Favored Pre-proline 0 CA--C 1.562 1.425 0 CA-C-O 118.252 -0.88 . . . . 75.23 111.418 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 31.4 Cg_exo -60.9 -40.82 49.94 Favored 'Trans proline' 0 C--N 1.401 3.332 0 C-N-CA 121.973 1.782 . . . . 71.11 111.928 173.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 26.6 m -60.47 -36.02 77.29 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.12 0.968 . . . . 75.02 111.549 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 mt -55.44 -46.3 76.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.422 0.689 . . . . 75.52 110.539 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.46 ' HE2' ' HE2' ' B' ' 89' ' ' PHE . 66.7 m-85 -70.8 -34.25 71.55 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.851 -0.613 . . . . 74.33 111.416 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 10.1 mm-40 -64.66 -33.96 77.16 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.011 0.524 . . . . 75.22 110.635 177.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.613 HD21 HG21 ' A' ' 50' ' ' ILE . 96.1 mt -69.16 -38.98 79.04 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.299 0.64 . . . . 74.42 110.512 175.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.46 -43.03 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.727 0.811 . . . . 75.45 110.526 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 91.8 mt -68.27 -40.01 82.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.487 0.715 . . . . 74.52 110.618 -177.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.32 66.95 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.401 0.68 . . . . 74.25 111.401 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.438 ' HB3' HD12 ' A' ' 103' ' ' LEU . . . -72.34 -34.7 68.24 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.281 0.632 . . . . 64.05 111.022 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -73.98 -37.4 64.46 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.678 0.791 . . . . 62.13 110.024 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -66.39 -40.4 89.63 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.884 0.874 . . . . 74.02 111.009 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.536 HD13 HG11 ' A' ' 54' ' ' VAL . 86.4 mt -95.91 -3.58 45.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.274 0.63 . . . . 75.3 111.632 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.536 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 2.9 t70 60.42 30.14 19.56 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.315 1.446 . . . . 72.33 111.825 175.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.603 HD11 ' SG ' ' A' ' 58' ' ' CYS . 46.1 mt -81.79 91.51 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 108.708 -0.849 . . . . 75.05 108.708 176.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -59.87 -42.62 91.77 Favored Pre-proline 0 CA--C 1.56 1.349 0 CA-C-N 114.517 -1.22 . . . . 74.43 112.436 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.7 -53.18 6.92 Favored 'Trans proline' 0 C--N 1.403 3.432 0 C-N-CA 122.633 2.222 . . . . 72.11 113.35 173.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.438 HD12 ' HB3' ' A' ' 95' ' ' ALA . 2.4 tm? -68.18 -39.21 82.59 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.042 0.537 . . . . 71.12 110.33 -176.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.507 HD23 HD23 ' B' ' 104' ' ' LEU . 59.9 tp -58.54 -47.49 84.02 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.79 0.836 . . . . 73.41 110.412 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.1 -50.85 60.16 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.089 0.868 . . . . 72.22 110.71 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.1 -47.79 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.526 0.73 . . . . 73.13 111.452 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 111' ' ' VAL . 35.8 m -68.94 -42.35 76.86 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.712 0.405 . . . . 62.41 111.319 -177.161 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.1 m -65.71 -33.61 76.27 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.665 0.386 . . . . 74.3 111.11 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.42 -37.23 71.49 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.571 0.748 . . . . 75.55 110.017 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -61.83 -45.87 91.93 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.775 0.83 . . . . 74.54 111.015 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.558 ' HA ' ' HE1' ' A' ' 114' ' ' MET . 42.1 t -65.77 -37.53 80.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.863 0 CA-C-N 115.914 -0.585 . . . . 74.52 109.914 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.22 -35.37 80.26 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.349 -0.842 . . . . 75.32 110.969 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.38 -33.16 75.22 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.73 0.812 . . . . 71.31 111.27 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.558 ' HE1' ' HA ' ' A' ' 111' ' ' VAL . 35.8 mtm -66.84 -38.01 85.57 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.737 -0.665 . . . . 64.13 110.965 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.4 pt -92.92 -8.74 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.856 0.463 . . . . 75.33 111.422 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.01 91.77 1.6 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.243 0.617 . . . . 74.44 110.794 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.186 0 CA-C-N 115.095 -0.957 . . . . 55.11 111.403 170.534 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.373 -0.232 . . . . 74.55 110.373 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.0 mt -90.74 122.55 33.59 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.743 0.817 . . . . 74.35 110.514 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 m -90.49 131.1 38.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 N-CA-C 108.7 -0.852 . . . . 74.21 108.7 167.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.489 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 96.5 mttt -85.82 94.69 9.21 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.569 0.748 . . . . 72.31 109.976 -174.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.443 HD13 HD12 ' B' ' 27' ' ' ILE . 81.4 mt -93.37 92.72 7.8 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.685 -0.487 . . . . 72.13 109.685 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.49 ' HA ' ' HA ' ' B' ' 13' ' ' VAL . 43.1 tt0 -75.97 135.8 40.03 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.669 -0.696 . . . . 74.42 109.702 175.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 63.1 p -83.17 175.64 9.8 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.574 0.75 . . . . 74.32 110.561 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 55.9 p -65.21 -23.39 67.07 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.267 0.627 . . . . 74.31 110.777 171.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -85.62 8.25 20.22 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.305 1.042 . . . . 64.34 111.171 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 71.01 7.33 6.18 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 125.061 1.344 . . . . 73.21 113.742 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -92.67 123.46 35.97 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.12 -0.696 . . . . 73.33 109.12 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.49 ' HA ' ' HA ' ' B' ' 7' ' ' GLU . 47.6 t -87.84 123.34 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.009 0.924 . . . . 51.23 110.229 -175.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -109.2 102.43 11.37 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.013 0.925 . . . . 74.13 108.76 175.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.489 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 37.6 mt-10 -81.79 94.94 7.14 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.3 0.64 . . . . 74.0 109.955 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 tp -104.5 152.17 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.061 -1.089 . . . . 74.12 108.061 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.11 143.19 57.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.995 -0.372 . . . . 71.42 109.995 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.37 -40.95 96.84 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.71 0.804 . . . . 73.12 110.841 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.46 -27.65 57.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.478 1.111 . . . . 73.44 112.115 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -81.69 -45.63 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.906 0.882 . . . . 75.03 109.722 175.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.26 -9.36 58.53 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.13 0.972 . . . . 74.02 112.617 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 95.4 m -71.16 -27.03 63.26 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.545 0.738 . . . . 74.32 111.545 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 50.2 mtm -66.71 -29.31 69.27 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.075 0.55 . . . . 71.42 110.19 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -71.41 103.02 2.78 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.121 -1.066 . . . . 70.44 108.121 167.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 88.3 t -59.89 -43.78 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.361 0.664 . . . . 75.41 111.099 -175.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.8 m -60.87 -51.37 69.57 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.337 0.655 . . . . 74.43 111.766 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.443 HD12 HD13 ' B' ' 6' ' ' LEU . 85.8 mt -64.83 -43.77 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 123.189 0.596 . . . . 71.11 110.848 -178.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -57.98 -48.33 80.31 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.017 0.823 . . . . 74.55 110.364 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -64.45 -32.21 73.74 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.812 0.845 . . . . 75.12 111.4 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 60.3 mtt -67.57 -43.3 80.96 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.985 0.514 . . . . 74.41 110.533 176.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.51 -45.54 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.473 0.709 . . . . 73.51 109.786 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -73.48 -26.33 60.86 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.025 0.93 . . . . 63.03 111.726 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.08 -41.54 77.38 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.49 0.716 . . . . 65.03 110.092 176.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 0.41 HG23 ' HB2' ' B' ' 37' ' ' SER . 61.7 mt -75.48 -26.15 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 CA-C-N 115.189 -0.914 . . . . 73.51 109.872 173.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.87 -77.07 0.9 Allowed Glycine 0 C--N 1.348 1.23 0 N-CA-C 109.865 -1.294 . . . . 65.35 109.865 -173.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -137.12 136.14 38.03 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.233 1.013 . . . . 72.45 108.598 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.41 ' HB2' HG23 ' B' ' 34' ' ' ILE . 31.5 t -147.79 109.24 4.35 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.253 0.621 . . . . 73.23 109.804 -176.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -84.81 -20.91 30.21 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.569 0.748 . . . . 75.2 110.396 174.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.3 p -63.9 140.37 97.83 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.51 0.724 . . . . 63.32 110.455 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -58.27 131.67 44.4 Favored 'Trans proline' 0 C--N 1.381 2.247 0 C-N-CA 122.709 2.273 . . . . 74.43 112.236 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -86.53 107.38 13.47 Favored Pre-proline 0 CA--C 1.554 1.102 0 N-CA-C 108.222 -1.029 . . . . 75.24 108.222 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -90.21 122.44 0.98 Allowed 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.568 2.179 . . . . 71.44 111.827 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -98.76 101.64 12.62 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 123.953 0.901 . . . . 72.4 108.611 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -84.58 51.26 3.19 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 123.14 2.56 . . . . 64.54 112.33 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -149.0 -56.47 0.2 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.728 0.811 . . . . 72.4 109.445 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -81.14 121.24 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 CA-C-N 116.1 -0.5 . . . . 71.31 110.242 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 80.4 p -74.62 170.63 15.4 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.768 0.827 . . . . 64.25 110.628 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 84.7 p -67.09 -40.65 86.99 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.993 0.517 . . . . 74.41 111.296 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 61.9 m -58.73 -41.48 86.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.142 0.977 . . . . 75.52 111.08 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.595 HG21 HD21 ' B' ' 91' ' ' LEU . 44.5 mm -80.66 -45.81 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 115.784 -0.643 . . . . 73.42 110.421 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 tp -62.41 -29.29 70.39 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.005 0.922 . . . . 73.11 111.226 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -52.1 -52.49 51.1 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.155 0.982 . . . . 72.04 110.147 171.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -77.56 -34.04 53.84 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.029 0.932 . . . . 75.24 112.567 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.563 HG11 HD13 ' B' ' 98' ' ' LEU . 54.1 t -59.6 -50.73 78.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 109.734 -0.469 . . . . 73.33 109.734 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 86.9 mt -75.0 -26.43 59.54 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.667 0.787 . . . . 75.35 111.784 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.79 -51.67 67.34 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.239 0.615 . . . . 74.35 110.491 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -67.69 -37.33 82.17 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 116.051 -0.522 . . . . 74.43 110.564 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.604 ' SG ' HD11 ' B' ' 100' ' ' ILE . 90.4 m -60.29 -42.82 96.27 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 123.072 0.232 . . . . 63.11 110.792 178.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -64.76 -45.2 87.38 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.045 -0.724 . . . . 73.25 109.045 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -57.83 -37.37 73.7 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.53 1.132 . . . . 64.13 111.71 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -79.36 -20.9 46.61 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.737 0.815 . . . . 75.42 110.854 -175.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -81.65 -38.79 25.37 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.817 -0.438 . . . . 70.33 109.817 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -71.39 -38.05 71.53 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.665 0.786 . . . . 74.42 110.015 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -125.42 101.34 31.05 Favored Pre-proline 0 N--CA 1.471 0.609 0 C-N-CA 124.914 1.286 . . . . 75.02 107.9 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -49.91 -25.53 12.35 Favored 'Trans proline' 0 C--N 1.387 2.569 0 C-N-CA 124.171 3.247 . . . . 75.44 114.808 -175.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.5 -43.61 0.87 Allowed Glycine 0 C--N 1.339 0.696 0 N-CA-C 111.163 -0.775 . . . . 74.3 111.163 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.01 -77.55 0.82 Allowed Glycine 0 C--N 1.351 1.37 0 N-CA-C 110.991 -0.844 . . . . 62.55 110.991 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.2 m 60.63 27.53 17.24 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.926 1.29 . . . . 74.3 112.531 170.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.6 -63.33 4.14 Favored Glycine 0 C--N 1.346 1.119 0 CA-C-N 115.757 -0.656 . . . . 74.32 112.308 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 66.6 tp -169.41 -55.56 0.02 OUTLIER 'General case' 0 C--N 1.351 0.631 0 C-N-CA 123.647 0.779 . . . . 72.41 109.886 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -95.13 35.63 1.27 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.249 1.02 . . . . 73.31 110.119 -172.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -92.99 57.89 2.86 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.565 0.746 . . . . 71.44 110.94 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.5 mp -116.87 83.24 14.17 Favored Pre-proline 0 CA--C 1.551 0.991 0 N-CA-C 107.226 -1.398 . . . . 74.55 107.226 170.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.43 143.07 46.57 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.057 1.838 . . . . 74.52 111.728 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.01 -26.82 33.45 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.219 2.613 . . . . 74.12 112.879 172.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -58.53 -52.32 66.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.432 1.093 . . . . 65.03 110.5 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.45 -28.27 63.84 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.971 0.908 . . . . 71.45 111.343 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -65.83 -40.22 91.57 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.624 0.77 . . . . 75.31 110.634 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.04 -30.66 62.53 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.483 0.713 . . . . 74.4 110.808 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.96 -39.71 95.49 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.485 0.714 . . . . 75.03 110.493 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 71.9 m -73.86 -6.73 48.95 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.117 -0.947 . . . . 71.22 112.377 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -79.75 76.3 6.42 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.022 0.529 . . . . 75.4 110.093 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.3 m -137.08 173.64 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.967 0.907 . . . . 74.11 109.787 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.23 164.44 26.68 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.203 0.601 . . . . 71.11 110.89 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.414 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 54.1 tp60 -63.01 -48.35 84.72 Favored Pre-proline 0 CA--C 1.557 1.232 0 CA-C-O 118.229 -0.891 . . . . 72.31 111.571 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 32.3 Cg_exo -60.17 -40.99 55.2 Favored 'Trans proline' 0 C--N 1.403 3.399 0 C-N-CA 122.061 1.84 . . . . 72.03 111.988 173.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.7 m -61.09 -35.84 78.05 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.368 1.067 . . . . 74.35 111.549 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 37.4 mt -55.73 -46.39 77.8 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.358 0.663 . . . . 75.3 110.568 173.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.46 ' HE2' ' HE2' ' A' ' 89' ' ' PHE . 66.6 m-85 -70.58 -34.44 72.18 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.693 0.621 . . . . 70.32 111.376 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 17.2 mm-40 -64.07 -34.54 78.26 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.139 0.576 . . . . 72.52 110.803 177.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.595 HD21 HG21 ' B' ' 50' ' ' ILE . 96.1 mt -68.99 -38.82 79.53 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.404 0.681 . . . . 74.44 110.421 175.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 86.1 mt -65.62 -42.92 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 123.666 0.786 . . . . 74.55 110.524 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 90.5 mt -68.28 -40.24 81.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.487 0.715 . . . . 74.23 110.637 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.79 -32.29 67.48 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.54 0.736 . . . . 72.54 111.381 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.434 ' HB3' HD12 ' B' ' 103' ' ' LEU . . . -72.55 -34.08 67.27 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.339 0.656 . . . . 74.34 111.083 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -73.96 -38.95 64.05 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.657 0.783 . . . . 74.23 110.122 175.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.07 -40.91 95.35 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.106 0.962 . . . . 73.41 111.059 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.563 HD13 HG11 ' B' ' 54' ' ' VAL . 86.0 mt -95.58 -4.61 44.31 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.51 0.724 . . . . 74.35 111.623 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.538 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 1.8 t70 62.06 29.26 17.6 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 125.28 1.432 . . . . 73.33 111.734 174.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.604 HD11 ' SG ' ' B' ' 58' ' ' CYS . 45.5 mt -81.51 92.32 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 108.801 -0.814 . . . . 73.53 108.801 176.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -60.54 -42.53 88.85 Favored Pre-proline 0 CA--C 1.56 1.342 0 CA-C-N 114.654 -1.157 . . . . 71.43 112.477 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.06 -52.63 7.92 Favored 'Trans proline' 0 C--N 1.403 3.415 0 C-N-CA 122.605 2.204 . . . . 75.53 113.353 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' B' ' 95' ' ' ALA . 2.4 tm? -68.37 -39.67 81.69 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 122.965 0.506 . . . . 55.41 110.301 -176.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.507 HD23 HD23 ' A' ' 104' ' ' LEU . 59.3 tp -58.06 -47.51 82.94 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.834 0.853 . . . . 73.33 110.527 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -67.2 -50.82 59.46 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 124.103 0.877 . . . . 71.13 110.73 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.13 -48.05 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.539 0.736 . . . . 72.43 111.394 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.403 HG23 ' HB2' ' B' ' 91' ' ' LEU . 36.1 m -68.59 -42.57 78.02 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 122.723 0.409 . . . . 73.01 111.361 -176.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 94.2 m -65.32 -34.15 77.66 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.742 0.417 . . . . 74.44 111.089 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.1 -36.47 72.2 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.616 0.767 . . . . 74.1 110.234 175.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 99.8 m -62.59 -46.0 90.34 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.698 0.799 . . . . 63.34 110.896 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.551 ' HA ' ' HE1' ' B' ' 114' ' ' MET . 42.7 t -65.56 -36.98 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 123.142 0.577 . . . . 71.42 110.055 177.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.84 81.2 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.289 -0.869 . . . . 64.03 110.924 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -64.55 -32.45 74.11 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.554 0.742 . . . . 74.45 111.185 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.551 ' HE1' ' HA ' ' B' ' 111' ' ' VAL . 34.9 mtm -67.49 -38.35 84.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.944 -0.571 . . . . 74.43 110.782 179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.2 pt -91.42 -10.24 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 122.81 0.444 . . . . 72.45 111.468 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.86 93.24 1.31 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.092 0.557 . . . . 73.32 110.847 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.378 0 CA-C-N 114.848 -1.069 . . . . 72.43 111.879 170.572 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.05 0.452 . . . . 75.42 110.338 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.2 mt -102.49 119.26 38.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.021 0.928 . . . . 75.23 110.342 -174.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.6 m -70.32 111.37 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 108.458 -0.941 . . . . 75.4 108.458 168.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.54 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 93.4 mttt -81.75 81.57 7.74 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.964 -1.016 . . . . 75.4 109.481 -174.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.411 HD21 ' HB ' ' A' ' 41' ' ' ILE . 85.8 mt -79.06 84.84 5.02 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 114.618 -1.173 . . . . 74.51 110.205 -176.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 42.8 tt0 -75.27 118.93 18.72 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.126 -0.943 . . . . 71.1 108.978 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 p -67.45 175.52 2.76 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.724 0.81 . . . . 73.12 111.748 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 p -65.41 -25.1 67.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.416 0.686 . . . . 71.52 110.738 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.05 0.37 32.14 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.246 1.018 . . . . 72.32 111.187 175.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 73.39 10.7 4.99 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.133 1.373 . . . . 73.34 113.164 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -84.54 123.21 30.04 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.474 -0.565 . . . . 72.54 109.474 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 40.6 t -88.2 109.08 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 123.784 0.834 . . . . 74.23 110.375 -172.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -92.23 90.89 7.48 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.584 0.754 . . . . 75.53 109.521 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.54 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 35.5 mt-10 -77.58 86.13 3.92 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.924 -1.034 . . . . 74.13 109.106 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.439 HD11 HG21 ' A' ' 20' ' ' ILE . 17.7 tt -110.74 152.6 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 115.066 -0.97 . . . . 73.4 108.854 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.541 ' HB2' HG13 ' A' ' 20' ' ' ILE . 38.2 mt-10 -61.7 137.39 58.24 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.944 0.498 . . . . 63.41 110.36 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.53 ' HB3' ' HZ1' ' A' ' 18' ' ' LYS . 6.2 ttpm? -65.69 -31.35 72.31 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.399 0.437 . . . . 73.21 110.868 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.85 -23.98 67.57 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.563 0.745 . . . . 75.23 112.152 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.541 HG13 ' HB2' ' A' ' 17' ' ' GLU . 46.2 mt -80.16 -44.05 22.38 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 121.41 0.624 . . . . 75.22 109.39 172.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.62 8.31 4.55 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.243 1.017 . . . . 63.14 112.625 -178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.0 m -75.26 -28.03 59.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.183 0.593 . . . . 74.1 110.978 168.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.47 -25.3 65.82 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.037 0.535 . . . . 74.01 110.224 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.0 m -73.39 101.8 3.57 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.345 -0.843 . . . . 72.24 108.828 163.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.445 HG11 ' HE3' ' A' ' 28' ' ' LYS . 97.6 t -67.12 -34.86 72.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 116.011 -0.54 . . . . 73.35 110.241 176.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.1 m -64.02 -48.22 77.2 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.646 0.378 . . . . 75.22 110.679 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.449 ' HA ' ' HE3' ' A' ' 30' ' ' MET . 73.4 mt -62.81 -48.36 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 123.576 0.547 . . . . 74.41 110.54 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 17.2 pttp -60.12 -43.51 95.58 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 123.626 0.579 . . . . 65.22 109.667 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -58.86 -44.77 91.09 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 123.627 0.771 . . . . 74.13 111.061 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.449 ' HE3' ' HA ' ' A' ' 27' ' ' ILE . 71.5 mtm -60.55 -43.01 97.72 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 124.123 0.889 . . . . 74.41 110.573 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.5 mt -66.44 -32.88 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.634 0.774 . . . . 71.04 110.653 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 47.0 mt-10 -76.26 -33.93 59.16 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.327 0.651 . . . . 73.21 111.202 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -71.52 -44.18 65.1 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.188 0.518 . . . . 73.15 110.241 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.9 mt -71.58 -30.33 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.035 -0.984 . . . . 74.23 109.823 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.51 -60.09 1.84 Allowed Glycine 0 C--N 1.343 0.924 0 N-CA-C 110.901 -0.88 . . . . 75.43 110.901 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -136.29 98.09 3.76 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.158 0.983 . . . . 73.11 109.458 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.583 ' HB3' HD13 ' A' ' 41' ' ' ILE . 44.0 m -95.45 68.59 2.99 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.61 0.764 . . . . 74.11 110.043 177.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.11 -28.2 62.13 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.503 -0.771 . . . . 72.13 110.458 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.7 m -65.38 150.48 95.74 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 124.189 0.996 . . . . 74.55 111.714 176.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.26 130.3 35.42 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 122.882 2.388 . . . . 72.51 111.369 175.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.583 HD13 ' HB3' ' A' ' 37' ' ' SER . 50.7 mm -91.4 107.94 25.33 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 123.412 0.685 . . . . 74.43 109.69 -177.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.46 142.54 21.02 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 121.831 1.688 . . . . 72.42 110.98 173.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -123.59 84.71 53.14 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 106.88 -1.526 . . . . 73.33 106.88 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -83.48 52.34 3.83 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 123.55 2.833 . . . . 75.21 112.595 -170.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -149.5 -58.32 0.2 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.482 1.113 . . . . 64.22 108.549 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -84.15 129.02 38.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 115.397 -0.82 . . . . 71.03 110.695 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.8 p -77.37 171.08 15.44 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.296 1.038 . . . . 72.32 110.789 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.2 p -69.59 -41.94 75.11 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.565 0.346 . . . . 70.24 111.852 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.6 m -57.57 -43.79 84.83 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.045 0.938 . . . . 73.41 111.011 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.449 HG23 HD21 ' A' ' 91' ' ' LEU . 48.1 mm -79.91 -44.99 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.151 -0.931 . . . . 73.55 110.453 -174.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.4 -30.08 70.86 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.313 0.645 . . . . 74.42 110.774 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.33 -48.96 79.49 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.405 0.682 . . . . 73.01 109.621 175.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.576 ' HD2' HD23 ' A' ' 91' ' ' LEU . 58.5 mttm -61.71 -51.94 66.31 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.107 0.879 . . . . 73.03 111.163 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 50' ' ' ILE . 48.3 t -61.2 -45.48 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-N 115.516 -0.766 . . . . 74.33 110.544 -173.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HB3' HD13 ' A' ' 16' ' ' ILE . 73.5 mt -74.06 -29.11 61.73 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.294 0.638 . . . . 72.14 112.413 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -72.59 -36.8 68.23 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.694 0.398 . . . . 73.04 110.206 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -71.36 -36.55 71.52 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.027 -0.533 . . . . 75.42 110.038 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.65 ' SG ' HD12 ' A' ' 100' ' ' ILE . 98.8 m -61.39 -40.48 94.51 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.493 0.496 . . . . 61.14 110.615 174.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 48.5 ttp180 -61.6 -46.96 87.64 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.626 -0.715 . . . . 74.0 110.022 176.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -59.17 -43.48 92.12 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.158 0.983 . . . . 74.02 111.885 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -74.62 -21.01 59.68 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.886 0.874 . . . . 74.32 110.878 -178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -80.61 -36.03 33.29 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 110.053 -0.351 . . . . 71.42 110.053 174.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 65.5 mt-30 -70.93 -34.43 71.49 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.802 0.841 . . . . 74.53 110.301 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -137.74 85.69 19.8 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.207 1.003 . . . . 75.23 109.415 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.08 -77.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.546 2.164 . . . . 73.03 111.101 173.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.91 -128.57 21.54 Favored Glycine 0 C--N 1.359 1.828 0 C-N-CA 123.976 0.798 . . . . 63.04 113.84 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.26 -0.62 56.99 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.714 -0.555 . . . . 74.13 111.714 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.8 m 68.06 -151.38 0.16 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.999 1.32 . . . . 74.21 110.451 -176.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.04 -29.78 73.67 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 119.537 -0.59 . . . . 64.33 113.778 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.9 mt 58.17 -86.2 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.131 1.372 . . . . 74.04 111.387 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -141.96 -16.64 0.77 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.024 1.33 . . . . 74.54 109.866 175.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.85 -56.59 19.83 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.813 1.245 . . . . 73.23 110.466 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.8 mm 60.07 96.63 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.017 1.327 . . . . 72.12 110.562 -176.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -58.53 153.76 46.39 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.815 2.343 . . . . 61.23 112.602 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -51.8 -48.36 21.84 Favored 'Trans proline' 0 C--N 1.38 2.208 0 C-N-CA 123.999 3.133 . . . . 71.53 113.104 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -54.14 -50.95 65.79 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.766 0.666 . . . . 74.53 111.247 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.67 -32.97 74.13 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.07 0.856 . . . . 72.11 111.431 -173.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 52.7 ttp180 -74.78 -55.09 6.21 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.321 -0.4 . . . . 71.14 110.177 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.3 -33.07 67.3 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 123.999 0.919 . . . . 71.34 111.622 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -61.29 -51.67 67.91 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.494 1.117 . . . . 75.1 110.292 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 81.8 m -76.58 -13.55 60.07 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.433 -0.803 . . . . 72.32 111.663 -175.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 78' ' ' ARG . 31.8 mmmt -75.17 84.69 2.38 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.106 -0.702 . . . . 72.21 109.106 172.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -125.37 171.13 14.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 124.64 1.176 . . . . 74.53 109.386 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.83 167.03 21.78 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.37 0.668 . . . . 74.1 110.384 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.425 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 55.7 tp60 -59.56 -51.28 82.28 Favored Pre-proline 0 CA--C 1.567 1.623 0 N-CA-C 113.391 0.886 . . . . 73.25 113.391 -169.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 23.9 Cg_exo -65.29 -32.98 50.07 Favored 'Trans proline' 0 C--N 1.391 2.808 0 C-N-CA 121.998 1.799 . . . . 75.1 112.075 174.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.6 m -66.04 -32.43 73.89 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.954 0.902 . . . . 71.33 111.213 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.2 mt -56.33 -49.67 73.65 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.963 0.905 . . . . 72.03 109.729 172.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -69.48 -34.33 74.18 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.091 -0.958 . . . . 75.22 111.443 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -61.32 -40.75 95.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.081 0.553 . . . . 65.11 111.202 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.576 HD23 ' HD2' ' A' ' 53' ' ' LYS . 83.7 mt -73.47 -32.89 64.57 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.58 0.752 . . . . 73.42 111.437 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.95 -43.94 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 123.373 0.669 . . . . 72.01 109.794 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.4 -40.2 77.49 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.746 0.818 . . . . 73.53 110.901 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.86 76.51 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.863 0.865 . . . . 73.01 111.719 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.471 ' HB3' HD13 ' A' ' 103' ' ' LEU . . . -68.36 -40.38 81.48 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.381 -0.827 . . . . 75.31 111.008 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -70.37 -32.72 70.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.225 0.61 . . . . 73.44 110.385 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -62.45 -44.0 97.47 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.253 1.021 . . . . 74.35 111.178 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.7 mt -98.61 -4.73 33.31 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.944 0.497 . . . . 72.54 111.887 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.9 t0 51.58 50.17 19.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.185 1.394 . . . . 70.44 111.593 -173.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.65 HD12 ' SG ' ' A' ' 58' ' ' CYS . 58.6 mt -88.05 91.7 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 114.595 -1.184 . . . . 74.41 108.215 171.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 102' ' ' PRO . 53.4 mttm -62.5 -43.04 83.17 Favored Pre-proline 0 CA--C 1.557 1.249 0 CA-C-N 114.35 -1.296 . . . . 74.33 112.997 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 9.6 Cg_endo -52.49 -41.37 68.16 Favored 'Trans proline' 0 C--N 1.4 3.282 0 C-N-CA 122.363 2.042 . . . . 63.42 113.469 174.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' A' ' 95' ' ' ALA . 2.6 tm? -81.06 -42.0 21.72 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.674 0.39 . . . . 73.24 110.106 -178.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.605 HD23 HD23 ' B' ' 104' ' ' LEU . 48.7 tp -58.5 -48.62 80.21 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.813 0.845 . . . . 74.32 110.888 -176.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.52 -51.7 68.34 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.316 1.01 . . . . 71.03 110.407 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.98 -40.82 90.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 115.674 -0.694 . . . . 75.44 111.865 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -70.3 -36.2 74.18 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 120.918 0.39 . . . . 74.14 110.976 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 71.3 m -69.62 -29.25 66.71 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.181 0.592 . . . . 73.35 110.697 174.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.64 -31.5 59.85 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.249 0.62 . . . . 75.25 110.597 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.5 m -65.67 -45.75 81.72 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.473 0.709 . . . . 75.31 110.936 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.446 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 35.0 m -68.7 -32.15 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.322 175.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.63 -25.21 62.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.294 0.638 . . . . 50.54 111.592 173.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.487 ' HA ' ' HB2' ' A' ' 116' ' ' ARG . 14.3 m-80 -67.73 -26.6 66.22 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.799 0.44 . . . . 74.15 111.025 176.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.446 ' HE3' ' HA ' ' A' ' 111' ' ' VAL . 69.3 mtm -72.6 -29.05 63.17 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.845 0.458 . . . . 75.15 111.108 179.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 37.5 pt -101.88 -1.92 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.507 0.723 . . . . 73.42 111.62 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.487 ' HB2' ' HA ' ' A' ' 113' ' ' ASN . 32.2 tpt180 -59.41 99.86 0.07 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.191 0.997 . . . . 63.41 111.212 -176.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.814 -0.992 . . . . 60.05 112.145 176.058 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.026 0.441 . . . . 71.44 110.477 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -99.1 119.08 37.25 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.27 -0.877 . . . . 74.4 110.354 -174.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.5 m -70.01 110.99 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.485 -0.932 . . . . 73.25 108.485 168.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.554 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 92.6 mttt -81.38 81.84 7.4 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.876 -1.056 . . . . 74.45 109.3 -174.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.0 mt -79.42 84.99 5.25 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 114.728 -1.123 . . . . 74.23 110.19 -176.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' B' ' 13' ' ' VAL . 39.9 tt0 -75.55 119.15 19.21 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.245 -0.889 . . . . 74.15 108.97 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.9 p -67.8 174.4 3.67 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.845 0.858 . . . . 61.33 111.597 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.8 p -64.52 -25.67 68.09 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.537 0.735 . . . . 71.02 110.794 172.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.73 -1.3 33.9 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.363 1.065 . . . . 75.22 111.478 175.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 74.7 11.92 3.78 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.293 1.437 . . . . 74.43 113.142 173.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -85.75 123.7 31.42 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.488 -0.56 . . . . 73.34 109.488 172.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' B' ' 7' ' ' GLU . 40.1 t -88.36 109.34 19.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.047 0.939 . . . . 60.21 110.193 -172.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -92.49 91.61 7.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.385 0.674 . . . . 74.43 109.443 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.554 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.1 mt-10 -78.56 84.98 4.65 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.177 -0.92 . . . . 73.42 109.541 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.449 HD11 HG21 ' B' ' 20' ' ' ILE . 17.6 tt -109.91 152.19 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.072 0.949 . . . . 73.45 108.924 -176.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.525 ' HB2' HG13 ' B' ' 20' ' ' ILE . 40.5 mt-10 -61.61 136.81 58.15 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.901 0.48 . . . . 74.31 110.289 -178.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.543 ' HZ1' ' HB3' ' B' ' 18' ' ' LYS . 6.1 ttpm? -65.19 -30.87 71.81 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 123.468 0.48 . . . . 70.43 110.826 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.93 -22.99 67.17 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.387 0.675 . . . . 62.12 112.246 176.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.525 HG13 ' HB2' ' B' ' 17' ' ' GLU . 46.8 mt -80.53 -43.71 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.376 0.67 . . . . 75.12 109.526 171.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.03 8.22 5.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.235 1.014 . . . . 64.41 112.438 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.2 m -74.82 -29.79 61.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.073 0.549 . . . . 74.22 110.808 168.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 71.0 mtm -65.8 -25.7 67.36 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 122.994 0.517 . . . . 74.25 110.407 173.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 72.4 m -72.99 101.68 3.29 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 108.855 -0.794 . . . . 74.05 108.855 163.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.456 HG11 ' HE3' ' B' ' 28' ' ' LYS . 91.7 t -67.44 -33.95 65.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 116.064 -0.516 . . . . 72.4 110.074 176.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -64.39 -48.5 75.21 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.612 0.365 . . . . 74.4 110.606 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.479 ' HA ' ' HE3' ' B' ' 30' ' ' MET . 73.6 mt -62.97 -48.28 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.048 0.539 . . . . 74.12 110.472 -177.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' B' ' 32' ' ' GLU . 16.7 pttp -59.97 -43.58 95.01 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 123.587 0.554 . . . . 74.14 109.844 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.49 -44.53 93.04 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.577 0.751 . . . . 72.32 110.944 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.479 ' HE3' ' HA ' ' B' ' 27' ' ' ILE . 72.0 mtm -60.25 -42.68 95.83 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.005 0.816 . . . . 74.51 110.32 178.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.09 -33.49 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.491 0.716 . . . . 74.4 110.665 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 47.5 mt-10 -74.91 -33.88 62.08 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.316 0.646 . . . . 73.45 111.009 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -72.43 -43.19 64.18 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.233 0.613 . . . . 73.23 110.722 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 80.2 mt -72.98 -28.69 27.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 115.034 -0.984 . . . . 75.45 109.868 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.44 -59.33 2.61 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.671 -0.695 . . . . 73.24 111.412 -176.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -135.93 96.73 3.47 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.962 0.905 . . . . 73.2 109.428 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' SER . . . . . 0.573 ' HB3' HD13 ' B' ' 41' ' ' ILE . 30.6 m -94.78 73.01 3.59 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.342 0.592 . . . . 73.51 109.815 176.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.38 -28.72 56.86 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.161 -0.927 . . . . 74.45 110.35 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.9 m -66.52 149.45 98.08 Favored Pre-proline 0 CA--C 1.558 1.27 0 C-N-CA 123.999 0.919 . . . . 74.11 111.46 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.57 131.01 39.98 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.926 2.417 . . . . 74.11 111.012 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.573 HD13 ' HB3' ' B' ' 37' ' ' SER . 50.4 mm -91.7 107.77 24.74 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 123.3 0.64 . . . . 75.1 109.503 -176.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.97 142.28 21.95 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 121.784 1.656 . . . . 74.52 110.975 174.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.7 mt -123.64 85.63 53.03 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 106.971 -1.492 . . . . 74.24 106.971 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -83.83 49.85 2.98 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 123.651 2.901 . . . . 72.24 112.722 -170.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -147.07 -58.75 0.27 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.586 1.154 . . . . 75.43 108.857 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.65 128.64 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 115.235 -0.893 . . . . 74.43 110.653 -177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 82.5 p -76.83 171.57 14.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.189 0.996 . . . . 64.11 110.603 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.5 p -69.64 -43.48 72.54 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.766 0.426 . . . . 73.23 111.838 -175.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 91.3 m -56.83 -42.71 80.11 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.116 0.967 . . . . 74.4 111.248 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.447 HG23 HD21 ' B' ' 91' ' ' LEU . 48.0 mm -80.47 -45.18 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-N 115.126 -0.943 . . . . 72.0 110.528 -174.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.3 tp -65.16 -30.23 71.13 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.384 0.674 . . . . 75.34 110.83 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -60.01 -48.43 81.73 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.513 0.725 . . . . 73.43 109.733 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.555 ' HD2' HD23 ' B' ' 91' ' ' LEU . 58.0 mttm -62.13 -52.08 65.28 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 124.157 0.911 . . . . 72.14 111.208 -179.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 50' ' ' ILE . 48.2 t -61.32 -45.12 99.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.284 -0.871 . . . . 74.41 110.437 -172.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.403 ' HB3' HD13 ' B' ' 16' ' ' ILE . 70.6 mt -74.37 -29.38 61.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.33 0.652 . . . . 74.52 112.438 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -73.28 -36.24 66.29 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.925 0.393 . . . . 72.31 110.425 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -70.87 -36.6 72.86 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.927 -0.579 . . . . 73.55 109.928 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.652 ' SG ' HD12 ' B' ' 100' ' ' ILE . 99.8 m -61.56 -40.39 94.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.883 0.473 . . . . 64.3 110.663 174.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -62.0 -46.03 90.99 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.485 0.714 . . . . 64.32 110.308 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -59.98 -42.86 95.11 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.148 0.979 . . . . 72.54 111.675 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -75.53 -21.25 58.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.703 0.801 . . . . 71.45 110.875 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . 0.401 ' CG ' HG12 ' B' ' 20' ' ' ILE . 75.9 t60 -80.48 -35.04 35.33 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.826 -0.435 . . . . 74.24 109.826 174.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.57 -36.59 73.69 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.94 0.896 . . . . 73.52 110.795 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -137.04 85.57 22.3 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 124.171 0.988 . . . . 71.21 108.977 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.98 -76.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 122.482 2.121 . . . . 72.2 111.188 172.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 47.99 -130.89 18.42 Favored Glycine 0 C--N 1.362 1.999 0 O-C-N 123.993 0.808 . . . . 74.13 113.609 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.43 0.11 59.73 Favored Glycine 0 CA--C 1.531 1.085 0 N-CA-C 111.61 -0.596 . . . . 73.3 111.61 168.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.1 m 68.14 -151.46 0.16 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.781 1.232 . . . . 75.24 110.458 -177.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.53 -28.96 70.51 Favored Glycine 0 CA--C 1.543 1.807 0 CA-C-O 119.283 -0.731 . . . . 64.14 114.061 -176.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 95.5 mt 57.32 -88.15 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 125.19 1.396 . . . . 73.25 111.265 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -142.01 -14.6 0.81 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 125.221 1.408 . . . . 72.31 109.855 175.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -60.59 -57.4 12.89 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.699 1.199 . . . . 61.35 110.661 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.1 mm 61.25 96.89 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.185 0 C-N-CA 125.371 1.468 . . . . 72.45 110.698 -176.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -58.63 152.53 55.23 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.934 2.423 . . . . 75.24 112.714 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.81 -47.24 27.43 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 123.944 3.096 . . . . 72.0 113.111 -176.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -54.67 -51.53 65.19 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.804 0.69 . . . . 75.34 111.276 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.09 -33.42 74.4 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 124.104 0.877 . . . . 73.52 111.288 -173.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 52.3 ttp180 -74.32 -55.1 6.4 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.26 -0.427 . . . . 74.25 110.196 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.71 -31.85 68.64 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.762 0.825 . . . . 74.34 111.721 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.29 -51.48 68.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.208 1.003 . . . . 64.41 110.333 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 83.8 m -76.74 -13.04 60.07 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.643 -0.708 . . . . 73.34 111.796 -175.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 78' ' ' ARG . 31.9 mmmt -74.91 85.53 2.24 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 109.159 -0.682 . . . . 75.33 109.159 171.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 29.1 m -126.75 168.68 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.746 1.218 . . . . 74.55 109.729 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.47 166.52 20.29 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.114 0.565 . . . . 74.01 110.816 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.467 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 51.6 tp60 -58.3 -52.47 74.37 Favored Pre-proline 0 N--CA 1.49 1.548 0 N-CA-C 113.673 0.99 . . . . 74.21 113.673 -169.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . 0.467 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 22.8 Cg_exo -65.34 -32.48 50.62 Favored 'Trans proline' 0 C--N 1.387 2.585 0 C-N-CA 121.94 1.76 . . . . 63.22 111.968 175.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 8.0 m -65.39 -32.9 74.78 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.771 0.828 . . . . 73.01 111.248 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 78.5 mt -56.0 -49.26 74.14 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.033 0.933 . . . . 74.13 109.825 172.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -69.62 -34.91 74.75 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.082 -0.963 . . . . 73.13 111.573 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -61.03 -40.6 94.21 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.154 0.582 . . . . 62.31 111.007 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.555 HD23 ' HD2' ' B' ' 53' ' ' LYS . 84.6 mt -73.21 -33.23 65.25 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.462 0.705 . . . . 73.34 111.522 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.72 -44.06 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.335 0.654 . . . . 74.42 109.933 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.53 -39.87 77.26 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.718 0.807 . . . . 71.45 110.859 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.85 -39.21 76.52 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.824 0.849 . . . . 74.13 111.685 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.482 ' HB3' HD13 ' B' ' 103' ' ' LEU . . . -68.31 -40.41 81.71 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.474 -0.784 . . . . 72.32 111.003 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.27 -32.22 69.94 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.111 0.564 . . . . 74.23 110.459 176.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -62.33 -44.6 96.12 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.201 1.0 . . . . 74.21 111.213 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.9 mt -98.3 -4.76 34.4 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.948 0.499 . . . . 74.25 112.004 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 24.7 t0 51.93 49.89 19.76 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.104 1.362 . . . . 61.11 111.608 -173.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.652 HD12 ' SG ' ' B' ' 58' ' ' CYS . 58.9 mt -88.2 91.79 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 114.565 -1.198 . . . . 71.55 108.225 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . 0.423 ' N ' ' HD2' ' B' ' 102' ' ' PRO . 53.1 mttm -62.13 -43.49 86.2 Favored Pre-proline 0 CA--C 1.559 1.319 0 CA-C-N 114.174 -1.376 . . . . 75.55 113.021 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 101' ' ' LYS . 9.3 Cg_endo -52.43 -41.42 67.38 Favored 'Trans proline' 0 C--N 1.401 3.308 0 C-N-CA 122.378 2.052 . . . . 73.44 113.435 174.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' B' ' 95' ' ' ALA . 2.6 tm? -80.84 -41.74 22.71 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 110.103 -0.332 . . . . 75.52 110.103 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.605 HD23 HD23 ' A' ' 104' ' ' LEU . 48.7 tp -58.76 -48.2 82.02 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.87 0.868 . . . . 75.15 110.831 -176.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.58 -51.51 68.23 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 124.417 1.073 . . . . 72.34 110.42 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 80.5 t -62.57 -41.03 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 C-N-CA 123.298 0.639 . . . . 75.41 111.936 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 29.0 m -70.05 -36.05 74.7 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 120.961 0.41 . . . . 64.14 111.158 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 71.0 m -69.57 -29.41 66.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.883 -0.598 . . . . 63.05 110.742 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.9 -31.49 59.21 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.237 0.615 . . . . 74.11 110.589 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 92.0 m -65.94 -45.39 81.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.472 0.709 . . . . 74.3 111.097 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.458 ' HA ' ' HE3' ' B' ' 114' ' ' MET . 35.0 m -68.61 -31.91 52.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 116.299 -0.41 . . . . 73.52 110.457 175.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.19 -24.97 62.33 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.403 0.681 . . . . 70.3 111.501 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . 0.446 ' HA ' ' HB2' ' B' ' 116' ' ' ARG . 13.1 m-80 -67.81 -25.72 65.71 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.004 0.522 . . . . 74.3 111.25 176.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.458 ' HE3' ' HA ' ' B' ' 111' ' ' VAL . 70.7 mtm -73.08 -30.06 63.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.953 0.501 . . . . 73.14 110.988 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 37.3 pt -101.96 -1.51 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 C-N-CA 123.613 0.765 . . . . 73.22 111.721 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . 0.446 ' HB2' ' HA ' ' B' ' 113' ' ' ASN . 31.7 tpt180 -59.61 99.27 0.06 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.282 1.033 . . . . 74.2 111.307 -176.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.946 -0.919 . . . . 62.21 111.683 176.006 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 109.259 -0.645 . . . . 74.25 109.259 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.418 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 53.4 mt -111.94 119.59 39.04 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.026 0.53 . . . . 73.22 110.92 -172.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -99.26 148.31 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 108.25 -1.018 . . . . 71.52 108.25 166.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 95.9 mttt -95.02 132.78 39.51 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 122.824 0.45 . . . . 74.02 110.94 -171.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -122.54 107.36 11.92 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.93 0.892 . . . . 75.12 109.534 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.64 119.67 25.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.385 -0.598 . . . . 63.24 109.385 175.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 p -74.38 -177.19 2.96 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.419 0.688 . . . . 71.41 111.173 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -60.99 -22.56 64.63 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.407 0.683 . . . . 74.24 111.708 173.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -95.2 12.03 30.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.959 0.904 . . . . 72.1 111.436 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 66.1 16.1 10.32 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.198 0.999 . . . . 72.15 112.256 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -82.04 121.76 26.96 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 123.169 0.587 . . . . 75.44 109.682 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.431 HG13 ' HB3' ' A' ' 5' ' ' LYS . 68.1 t -83.13 94.66 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.061 0.945 . . . . 63.11 110.21 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -84.2 93.31 8.15 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.359 -0.608 . . . . 72.42 109.359 172.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 44.7 mt-10 -71.78 93.81 1.33 Allowed 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.346 -0.983 . . . . 74.34 108.346 174.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.4 tp -98.31 152.92 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 115.231 -0.895 . . . . 75.22 109.416 -176.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -61.44 141.52 57.61 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 120.995 0.426 . . . . 64.51 110.793 174.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -61.43 -39.17 89.79 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.636 -1.165 . . . . 75.44 110.952 -176.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.16 -39.5 90.33 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 123.871 0.732 . . . . 73.34 110.795 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.498 HG21 ' HB3' ' A' ' 58' ' ' CYS . 76.1 mt -68.0 -44.1 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.245 1.018 . . . . 73.22 110.448 178.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.63 -25.7 66.72 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.254 -0.884 . . . . 63.54 111.57 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.5 m -75.45 -35.97 60.8 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.568 0.747 . . . . 74.4 111.175 172.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 42.5 mtm -62.36 -34.44 76.67 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.323 0.582 . . . . 75.31 110.291 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.45 ' HA ' HG12 ' A' ' 100' ' ' ILE . 34.2 t -72.44 104.22 3.72 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.748 -1.115 . . . . 70.31 108.233 169.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 57.5 t -63.31 -40.35 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.118 0.567 . . . . 75.25 111.703 -171.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.1 m -63.69 -46.69 84.34 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.569 0.748 . . . . 73.35 112.242 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.97 -42.03 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 109.827 -0.434 . . . . 75.45 109.827 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -55.58 -44.42 76.9 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.028 0.931 . . . . 75.02 110.827 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -64.76 -38.48 91.12 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.469 0.708 . . . . 74.12 111.008 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -46.4 90.78 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.289 0.635 . . . . 74.12 110.248 176.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.97 -49.8 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 124.006 0.816 . . . . 75.41 110.161 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.71 -35.1 79.79 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.805 0.842 . . . . 75.54 111.928 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.53 -38.23 65.34 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.614 0.765 . . . . 52.14 110.967 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.7 mt -83.37 -6.02 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 CA-C-N 115.663 -0.698 . . . . 75.14 109.838 174.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.96 -58.75 1.04 Allowed Glycine 0 C--N 1.349 1.254 0 N-CA-C 111.061 -0.816 . . . . 73.1 111.061 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -167.98 137.82 2.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.5 1.12 . . . . 65.25 108.659 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.6 m -147.77 115.51 6.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.889 0.475 . . . . 62.44 110.884 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -95.55 -13.25 24.61 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.887 0.875 . . . . 73.44 110.004 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 p -56.94 158.66 8.66 Favored Pre-proline 0 CA--C 1.561 1.394 0 C-N-CA 125.858 1.663 . . . . 62.3 112.817 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.49 93.72 0.12 Allowed 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.358 2.039 . . . . 44.32 112.451 176.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.4 mm -71.62 111.36 10.08 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.833 0.853 . . . . 74.51 109.347 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -77.49 127.25 8.83 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.18 1.92 . . . . 75.01 111.99 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.9 mt -118.04 86.43 25.94 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 125.25 1.42 . . . . 74.24 108.165 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.99 -26.87 18.01 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 122.976 2.451 . . . . 63.35 114.128 -171.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -86.07 14.99 5.46 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.188 0.595 . . . . 75.31 112.307 -173.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 p -145.55 131.21 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 123.148 0.579 . . . . 62.43 109.565 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.5 p -75.63 166.65 23.24 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.192 0.597 . . . . 72.41 110.392 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.0 p -63.47 -38.83 92.65 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.329 0.652 . . . . 72.01 111.744 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.8 p -64.38 -47.36 79.54 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.705 0.802 . . . . 75.34 111.951 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 48.9 mm -71.6 -46.0 64.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.069 0.548 . . . . 73.52 109.754 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.2 -36.71 78.26 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.618 0.767 . . . . 74.5 111.136 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -56.06 -50.23 71.57 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 124.08 0.862 . . . . 65.03 109.907 176.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -70.93 -36.98 72.86 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.488 1.117 . . . . 73.53 112.197 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG11 HD11 ' A' ' 103' ' ' LEU . 79.6 t -64.25 -42.62 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 122.927 0.491 . . . . 72.4 110.017 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 97.5 mt -73.8 -32.31 63.69 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.582 -0.736 . . . . 73.23 111.095 176.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.54 -44.26 82.88 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.682 1.193 . . . . 64.31 111.551 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.444 ' OH ' HG22 ' A' ' 106' ' ' VAL . 84.3 t80 -60.59 -42.41 96.66 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.278 0.631 . . . . 72.24 110.309 174.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.498 ' HB3' HG21 ' A' ' 20' ' ' ILE . 72.4 m -67.78 -28.43 67.59 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 115.243 -0.89 . . . . 75.51 111.87 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 52.4 mtt180 -59.31 -40.1 85.15 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.208 0.603 . . . . 74.43 110.692 171.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -59.71 -36.42 76.5 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.685 0.794 . . . . 74.42 111.196 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -78.88 -19.84 50.94 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.28 0.632 . . . . 75.15 111.96 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -82.43 -46.19 13.81 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.91 0.484 . . . . 73.3 110.829 174.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -76.21 -31.01 58.21 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.713 0.805 . . . . 73.21 110.682 -177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -131.47 90.6 37.09 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 108.061 -1.089 . . . . 75.53 108.061 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -54.8 94.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 123.017 2.478 . . . . 71.33 112.135 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.03 -47.99 3.6 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 115.126 -0.943 . . . . 74.22 112.27 -176.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.55 -95.31 1.21 Allowed Glycine 0 C--N 1.351 1.392 0 N-CA-C 110.234 -1.146 . . . . 63.51 110.234 -172.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m 61.46 -178.69 0.12 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.754 1.222 . . . . 54.41 114.082 170.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 159.07 -143.21 8.99 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 115.58 -0.736 . . . . 32.45 111.327 174.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.6 tp -82.1 -38.79 24.3 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.914 -0.773 . . . . 74.21 108.914 172.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -111.83 108.54 17.97 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.848 -1.069 . . . . 52.45 108.202 172.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.44 27.51 1.68 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.059 0.944 . . . . 75.31 112.298 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.5 mm -118.4 84.38 23.2 Favored Pre-proline 0 CA--C 1.55 0.975 0 N-CA-C 108.782 -0.822 . . . . 73.34 108.782 171.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -73.7 146.29 38.25 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.38 2.054 . . . . 63.31 111.031 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -48.5 -36.84 32.34 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 123.145 2.563 . . . . 50.24 113.762 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.22 -56.66 18.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.274 1.03 . . . . 64.01 111.24 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.38 -28.41 62.01 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.376 1.071 . . . . 64.04 110.527 -174.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -66.89 -41.84 86.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.094 0.958 . . . . 72.43 110.489 175.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -77.19 -24.49 51.37 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.918 0.487 . . . . 73.24 111.33 177.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.76 -36.28 82.56 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.091 0.556 . . . . 65.44 110.212 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 73.2 m -69.66 -8.88 51.45 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.173 -0.921 . . . . 74.12 112.448 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -70.99 88.51 0.76 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-O 121.41 0.624 . . . . 73.52 109.642 170.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.467 HG12 HD13 ' A' ' 91' ' ' LEU . 3.0 m -139.95 145.35 26.6 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 C-N-CA 125.001 1.32 . . . . 75.34 108.857 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -66.53 158.9 28.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.868 0.867 . . . . 73.13 109.591 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -52.86 -50.69 80.02 Favored Pre-proline 0 CA--C 1.573 1.828 0 CA-C-O 118.419 -0.8 . . . . 75.13 112.887 -169.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.02 -32.29 84.06 Favored 'Trans proline' 0 C--N 1.39 2.734 0 C-N-CA 122.033 1.822 . . . . 73.41 113.377 171.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.4 m -68.16 -28.53 67.37 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.757 0.823 . . . . 65.34 112.028 -175.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.01 -46.45 75.22 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.914 -0.402 . . . . 72.03 109.914 169.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.427 ' HE1' ' HE1' ' B' ' 89' ' ' PHE . 42.5 m-85 -69.34 -31.47 69.94 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.484 0.714 . . . . 73.44 111.544 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -64.77 -36.02 82.97 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.811 0.444 . . . . 70.02 110.81 176.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.467 HD13 HG12 ' A' ' 83' ' ' VAL . 71.4 mt -71.06 -38.82 72.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.215 0.606 . . . . 75.3 110.921 174.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.43 -43.45 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 C-N-CA 123.314 0.645 . . . . 75.2 110.628 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.11 -41.36 90.67 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.858 0.863 . . . . 74.1 110.845 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.58 -32.51 62.41 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.42 0.688 . . . . 72.23 111.749 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.477 ' HB3' HD22 ' A' ' 103' ' ' LEU . . . -73.32 -34.7 65.82 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.991 0.516 . . . . 71.23 110.976 177.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -76.54 -35.8 58.04 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.337 0.655 . . . . 74.22 110.133 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -64.93 -45.7 84.7 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.585 0.754 . . . . 74.21 110.886 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.419 HD12 HG13 ' A' ' 54' ' ' VAL . 85.6 mt -88.3 -8.77 54.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.534 0.733 . . . . 71.14 111.143 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.416 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 36.1 t0 60.46 32.41 20.54 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.122 1.369 . . . . 74.23 111.112 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.45 HG12 ' HA ' ' A' ' 24' ' ' SER . 23.4 mt -80.94 82.15 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 107.837 -1.172 . . . . 75.34 107.837 171.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' HA ' ' HB3' ' A' ' 104' ' ' LEU . 48.1 mtpt -63.54 -34.19 12.19 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 114.409 -1.269 . . . . 74.1 113.727 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -48.17 -52.06 8.97 Favored 'Trans proline' 0 C--N 1.398 3.164 0 C-N-CA 122.19 1.927 . . . . 63.01 113.287 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 95' ' ' ALA . 7.3 tt -68.42 -43.14 77.83 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.939 0.496 . . . . 71.1 110.217 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 101' ' ' LYS . 61.3 tp -54.21 -49.25 69.84 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.059 0.944 . . . . 74.0 111.316 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.47 -39.85 92.45 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 124.072 0.857 . . . . 61.4 111.578 -177.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.444 HG22 ' OH ' ' A' ' 57' ' ' TYR . 77.1 t -66.34 -41.29 88.69 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.239 0.615 . . . . 74.11 111.222 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -71.2 -29.64 65.41 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.917 0.487 . . . . 73.43 110.662 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.402 ' HB3' HD21 ' B' ' 93' ' ' LEU . 85.8 m -68.45 -32.24 72.12 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.281 0.632 . . . . 74.33 110.541 172.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -69.74 -40.68 76.01 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.93 0.492 . . . . 74.5 110.022 172.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.8 m -60.54 -46.98 88.16 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.648 0.779 . . . . 75.41 111.667 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.485 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 35.0 m -69.7 -33.75 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.681 0.392 . . . . 74.45 111.0 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.61 -31.66 70.99 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.302 0.641 . . . . 60.02 111.178 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -67.64 -36.55 80.97 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.4 0.68 . . . . 72.24 110.972 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 49.8 mtm -62.68 -45.13 94.19 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.885 0.474 . . . . 73.41 110.686 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.486 ' HB ' ' HB3' ' B' ' 86' ' ' PRO . 36.4 pt -86.67 -11.55 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 115.713 -0.676 . . . . 73.21 112.122 -175.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -65.98 -40.82 91.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.522 0.729 . . . . 75.01 111.007 -176.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 CA-C-O 119.634 -0.536 . . . . 71.52 111.816 177.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 109.674 -0.491 . . . . 73.42 109.674 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.403 ' HB3' ' HB3' ' B' ' 15' ' ' GLU . 47.5 mt -113.56 120.16 39.99 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.802 0.441 . . . . 74.53 111.025 -172.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.9 m -99.77 147.4 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.393 -0.965 . . . . 73.12 108.393 166.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.549 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 95.9 mttt -94.05 132.97 38.01 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 122.773 0.429 . . . . 73.24 111.208 -171.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -122.59 107.83 12.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.935 0.894 . . . . 75.42 109.504 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -84.64 119.48 25.28 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.569 -0.53 . . . . 74.41 109.569 175.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.5 p -74.65 -177.42 3.18 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.38 0.672 . . . . 73.32 111.235 175.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.2 t -61.05 -22.83 64.95 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.602 0.761 . . . . 74.23 111.476 174.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -94.38 13.19 24.48 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.924 0.889 . . . . 74.3 111.584 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 65.38 13.7 8.98 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.212 1.005 . . . . 60.24 112.5 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -80.48 122.08 26.55 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.003 0.521 . . . . 74.02 109.711 -178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.428 HG13 ' HB3' ' B' ' 5' ' ' LYS . 73.4 t -83.26 93.93 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 C-N-CA 123.971 0.908 . . . . 62.25 110.482 -177.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -83.58 92.97 7.76 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 123.267 0.627 . . . . 73.32 109.481 172.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.549 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 43.3 mt-10 -71.32 92.6 1.06 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.594 -0.891 . . . . 74.32 108.594 173.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.5 tp -97.56 152.64 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-N 115.445 -0.798 . . . . 72.31 109.762 -176.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -61.07 141.19 57.59 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 122.635 0.374 . . . . 71.0 110.617 174.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.424 ' HE3' HD13 ' B' ' 31' ' ' ILE . 22.8 tptm -61.15 -38.97 88.33 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.466 1.107 . . . . 75.42 111.175 -176.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.9 -40.22 92.24 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.83 0.706 . . . . 75.34 110.705 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' B' ' 58' ' ' CYS . 76.2 mt -67.14 -44.2 88.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.168 -0.924 . . . . 74.35 110.369 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.48 66.74 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.322 -0.854 . . . . 74.42 111.666 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 72.3 m -75.8 -34.85 60.19 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.606 0.762 . . . . 74.24 111.154 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 44.4 mtm -63.39 -35.02 79.01 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.386 0.612 . . . . 73.43 110.14 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.462 ' HA ' HG12 ' B' ' 100' ' ' ILE . 33.9 t -71.89 104.67 3.55 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.844 -1.071 . . . . 74.53 108.31 169.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.411 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 61.5 t -64.03 -39.96 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 122.921 0.489 . . . . 62.34 111.631 -171.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -64.04 -46.61 83.67 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.363 0.665 . . . . 75.52 112.132 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.8 -41.76 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 122.759 0.424 . . . . 70.34 109.878 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' B' ' 25' ' ' VAL . 16.0 ttpp -56.13 -44.29 79.02 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.002 0.921 . . . . 75.01 110.695 172.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -65.14 -37.4 87.29 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.473 0.709 . . . . 62.02 111.121 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -46.53 88.87 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.41 0.684 . . . . 65.45 110.302 176.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.424 HD13 ' HE3' ' B' ' 18' ' ' LYS . 96.0 mt -59.65 -49.91 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.751 0.82 . . . . 75.22 110.177 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.77 -37.35 87.32 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.685 0.794 . . . . 63.52 111.968 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.82 -37.78 70.28 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.758 0.823 . . . . 75.52 111.293 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.4 mt -84.05 -5.33 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.441 0 C-N-CA 123.651 0.78 . . . . 73.24 109.948 174.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.55 -58.59 1.11 Allowed Glycine 0 C--N 1.346 1.098 0 N-CA-C 110.917 -0.873 . . . . 73.21 110.917 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -167.59 138.48 2.94 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.288 1.035 . . . . 74.52 108.504 174.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 60.3 m -148.36 113.53 5.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.053 0.541 . . . . 74.3 111.412 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -94.51 -11.91 28.69 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.688 0.795 . . . . 64.42 110.063 167.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.2 p -57.7 158.19 12.56 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 125.046 1.338 . . . . 74.11 112.454 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -60.79 95.12 0.11 Allowed 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.103 1.869 . . . . 75.32 111.984 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.1 mm -72.41 111.43 10.95 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.828 0.851 . . . . 73.23 109.217 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.49 126.14 8.1 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.181 1.92 . . . . 73.41 112.242 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 68.3 mt -117.16 87.33 23.14 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 125.143 1.377 . . . . 75.34 108.246 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.55 -29.64 16.01 Favored 'Trans proline' 0 C--N 1.374 1.89 0 C-N-CA 123.07 2.513 . . . . 73.54 113.904 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -84.03 14.96 3.7 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.217 0.607 . . . . 74.14 112.46 -173.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 p -145.34 131.15 13.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.232 0.613 . . . . 70.32 109.744 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 66.4 p -75.45 166.8 23.04 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.116 0.566 . . . . 72.53 110.293 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 53.1 p -64.34 -37.59 88.04 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.595 0.758 . . . . 74.01 111.707 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 31.4 p -64.35 -48.94 73.64 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.604 0.762 . . . . 75.04 111.383 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 49.0 mm -70.34 -46.39 71.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 C-N-CA 122.914 0.486 . . . . 73.52 109.733 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.84 -36.87 77.74 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.585 0.754 . . . . 64.21 111.318 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.33 -49.86 73.15 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.98 0.8 . . . . 75.41 109.861 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -71.01 -37.19 72.63 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.389 1.056 . . . . 72.55 112.101 -175.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.436 HG11 HD11 ' B' ' 103' ' ' LEU . 81.6 t -63.88 -43.16 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.053 0.541 . . . . 70.13 110.048 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.438 ' O ' ' HG3' ' B' ' 59' ' ' ARG . 97.8 mt -73.44 -32.12 64.19 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.603 -0.726 . . . . 72.54 110.991 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.71 -44.58 81.25 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.646 1.178 . . . . 64.23 111.68 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . 0.443 ' OH ' HG22 ' B' ' 106' ' ' VAL . 85.0 t80 -60.37 -41.86 94.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.202 0.601 . . . . 75.02 110.357 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.495 ' HB3' HG21 ' B' ' 20' ' ' ILE . 72.4 m -68.41 -28.46 67.1 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.332 -0.849 . . . . 60.11 111.951 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 56.0 mtt180 -59.24 -39.84 84.03 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.975 0.51 . . . . 72.13 110.5 171.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -59.94 -36.28 76.73 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.66 0.784 . . . . 74.54 111.272 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -78.99 -19.5 51.47 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.463 0.705 . . . . 73.34 111.958 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -82.69 -46.53 13.1 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.034 0.534 . . . . 72.12 110.907 174.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.15 -29.93 57.96 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.848 0.859 . . . . 74.3 110.904 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -132.84 90.71 31.37 Favored Pre-proline 0 CA--C 1.547 0.856 0 N-CA-C 107.802 -1.184 . . . . 74.42 107.802 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.11 95.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 123.073 2.515 . . . . 75.34 112.181 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.25 -48.56 3.82 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 115.144 -0.934 . . . . 72.3 112.373 -175.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.36 -93.77 1.24 Allowed Glycine 0 C--N 1.35 1.336 0 N-CA-C 110.37 -1.092 . . . . 73.01 110.37 -173.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m 59.64 -179.17 0.09 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 114.442 1.275 . . . . 75.54 114.442 170.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 159.21 -143.44 9.2 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 115.421 -0.809 . . . . 54.1 111.453 174.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 67.7 tp -81.9 -37.9 26.14 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.729 -0.841 . . . . 75.41 108.729 172.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -112.23 109.47 19.16 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.474 -0.936 . . . . 63.31 108.474 171.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.34 27.54 1.91 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.033 0.933 . . . . 60.53 112.32 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 33.7 mm -118.0 82.78 17.91 Favored Pre-proline 0 CA--C 1.552 1.024 0 N-CA-C 108.976 -0.75 . . . . 73.22 108.976 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -72.88 145.74 41.01 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.412 2.075 . . . . 74.32 111.062 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -48.07 -36.78 29.02 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 123.217 2.611 . . . . 63.31 114.051 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -57.65 -56.3 23.69 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.772 1.229 . . . . 75.33 111.236 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.71 -28.24 61.62 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.42 1.088 . . . . 72.3 110.613 -174.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -67.54 -41.57 84.1 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.208 1.003 . . . . 74.53 110.251 176.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -77.28 -24.44 50.99 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.606 -0.724 . . . . 73.51 111.189 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -63.08 -35.8 81.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.168 0.587 . . . . 74.11 110.111 172.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.3 -7.57 43.58 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 115.277 -0.874 . . . . 74.51 112.597 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -72.43 87.04 1.16 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 121.525 0.679 . . . . 73.24 109.865 170.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.465 HG12 HD13 ' B' ' 91' ' ' LEU . 3.1 m -137.98 145.29 29.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.651 1.18 . . . . 74.13 108.827 174.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -66.03 158.16 29.06 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.674 0.79 . . . . 73.32 109.537 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -52.7 -49.63 85.36 Favored Pre-proline 0 CA--C 1.572 1.805 0 CA-C-O 118.679 -0.677 . . . . 74.44 112.772 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . 0.486 ' HB3' ' HB ' ' A' ' 115' ' ' ILE . 22.0 Cg_endo -62.08 -33.27 83.0 Favored 'Trans proline' 0 C--N 1.388 2.619 0 C-N-CA 122.092 1.862 . . . . 75.14 113.576 171.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 8.5 m -67.78 -28.62 67.76 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.834 0.853 . . . . 72.0 111.998 -175.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mp -54.57 -46.87 73.79 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 109.905 -0.405 . . . . 74.33 109.905 169.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.427 ' HE1' ' HE1' ' A' ' 89' ' ' PHE . 40.9 m-85 -69.35 -31.63 70.18 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.59 -0.732 . . . . 73.24 111.563 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.65 -35.95 82.69 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.724 0.41 . . . . 74.13 110.733 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.465 HD13 HG12 ' B' ' 83' ' ' VAL . 74.7 mt -71.15 -38.28 72.24 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.12 0.568 . . . . 71.05 110.958 174.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.67 -43.63 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 123.303 0.641 . . . . 75.02 110.571 175.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' ' 108' ' ' CYS . 84.6 mt -65.56 -41.65 92.71 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.874 0.87 . . . . 73.2 110.87 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.86 -32.48 61.91 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.475 0.71 . . . . 64.52 111.698 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.456 ' HB3' HD22 ' B' ' 103' ' ' LEU . . . -73.21 -33.92 65.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.009 0.524 . . . . 73.11 111.158 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -77.43 -35.42 54.11 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.447 0.699 . . . . 74.31 110.074 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -65.14 -46.1 82.28 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.894 0.878 . . . . 74.44 110.624 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.425 HD12 HG13 ' B' ' 54' ' ' VAL . 85.6 mt -88.51 -8.46 54.8 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.581 0.752 . . . . 75.54 111.117 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.404 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 38.5 t0 59.95 33.13 21.42 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.153 1.381 . . . . 72.04 111.198 178.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.462 HG12 ' HA ' ' B' ' 24' ' ' SER . 23.0 mt -81.35 81.96 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.628 0 N-CA-C 107.939 -1.134 . . . . 74.45 107.939 171.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.34 -34.09 12.26 Favored Pre-proline 0 CA--C 1.564 1.495 0 CA-C-N 114.225 -1.352 . . . . 74.31 113.592 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.3 -52.17 8.85 Favored 'Trans proline' 0 C--N 1.399 3.233 0 C-N-CA 122.284 1.989 . . . . 75.23 113.252 166.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.456 HD22 ' HB3' ' B' ' 95' ' ' ALA . 7.2 tt -68.55 -42.63 78.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.784 0.433 . . . . 74.22 110.302 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 63.9 tp -54.46 -49.03 71.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.931 0.892 . . . . 75.13 111.302 -178.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.49 -40.06 92.64 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.331 1.02 . . . . 63.4 111.601 -176.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.443 HG22 ' OH ' ' B' ' 57' ' ' TYR . 72.6 t -66.08 -41.63 89.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.321 0.648 . . . . 71.34 111.38 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.6 m -71.14 -29.39 65.17 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.921 0.488 . . . . 63.32 110.596 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 85.8 m -68.84 -32.01 71.4 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.276 0.63 . . . . 73.21 110.481 173.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.95 -40.82 75.22 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.819 0.448 . . . . 75.31 110.073 172.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 40.4 m -60.15 -47.01 87.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.677 0.791 . . . . 72.42 111.602 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.513 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 35.1 m -69.71 -33.74 57.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 122.58 0.352 . . . . 75.12 111.005 178.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.19 -32.19 72.24 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.308 0.643 . . . . 70.03 111.132 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -68.13 -35.1 77.58 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.602 0.761 . . . . 65.05 111.051 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.513 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 49.5 mtm -64.27 -44.52 91.44 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.071 0.548 . . . . 72.43 110.686 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 34.5 pt -86.68 -13.21 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 115.912 -0.586 . . . . 74.54 112.056 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -64.09 -40.88 97.18 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.564 0.746 . . . . 73.3 111.482 -176.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.329 0 CA-C-O 119.538 -0.59 . . . . 73.32 112.672 178.889 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 m . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.401 0.143 . . . . 72.21 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 mt -110.3 115.66 30.09 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.357 -0.608 . . . . 73.31 109.357 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -86.9 107.53 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 N-CA-C 108.913 -0.773 . . . . 74.43 108.913 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.567 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 93.9 mttt -75.77 108.39 8.6 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 114.997 -1.001 . . . . 74.1 109.969 -177.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.6 mt -100.56 92.5 5.15 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.511 0.724 . . . . 75.15 109.978 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.484 ' HG3' HG23 ' A' ' 13' ' ' VAL . 3.0 mp0 -69.12 108.72 3.7 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.848 -0.797 . . . . 75.33 108.848 170.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.7 p -62.11 -179.12 0.2 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.292 0.637 . . . . 74.2 111.298 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t -66.98 -17.1 64.76 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.084 0.553 . . . . 72.31 110.635 174.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 36.3 t70 -96.73 8.16 44.92 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 124.602 1.161 . . . . 55.5 110.35 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 68.53 9.66 7.43 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.843 1.657 . . . . 64.24 113.434 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 9.8 mmpt? -73.08 122.58 22.03 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.623 -0.51 . . . . 74.32 109.623 177.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.484 HG23 ' HG3' ' A' ' 7' ' ' GLU . 42.1 t -81.37 101.66 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 123.971 0.908 . . . . 75.21 109.785 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -93.35 88.83 6.12 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.657 0.783 . . . . 73.31 109.481 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 23.5 mt-10 -76.63 76.19 3.31 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.456 -0.793 . . . . 51.24 109.062 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.3 tt -92.49 149.14 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-N 115.407 -0.815 . . . . 74.12 109.342 -175.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.34 135.3 53.05 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.325 0.65 . . . . 74.24 109.975 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' HE2' HG23 ' A' ' 31' ' ' ILE . 56.6 tttm -63.42 -31.26 72.37 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.716 1.207 . . . . 73.21 111.752 -173.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -60.37 -32.5 71.35 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.589 0.756 . . . . 74.14 111.805 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.9 mt -76.26 -41.34 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 115.38 -0.827 . . . . 75.5 109.356 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.7 -1.07 14.96 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.796 -1.093 . . . . 64.14 112.699 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 62.5 m -74.48 -29.87 61.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.33 0.652 . . . . 75.14 111.353 171.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.6 mtm -68.29 -30.11 69.04 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.824 0.45 . . . . 73.12 110.003 174.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -71.37 102.57 2.65 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.205 -0.907 . . . . 75.22 109.112 166.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.65 -31.51 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 N-CA-C 109.965 -0.383 . . . . 75.14 109.965 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.8 m -64.46 -50.54 67.09 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.622 0.369 . . . . 61.14 111.009 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.449 ' O ' HG13 ' A' ' 31' ' ' ILE . 68.4 mt -65.23 -43.16 95.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 109.087 -0.708 . . . . 64.14 109.087 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 61.4 tttp -55.1 -52.23 63.89 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 124.354 1.034 . . . . 72.42 111.153 176.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -58.18 -36.83 73.63 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.575 0.75 . . . . 63.55 111.107 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 77.6 mtm -70.92 -38.55 72.93 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.807 -0.633 . . . . 74.33 110.987 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.509 HG23 ' HE2' ' A' ' 18' ' ' LYS . 81.5 mt -66.38 -40.07 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 122.865 0.466 . . . . 73.41 109.963 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 64.4 mm-40 -66.36 -42.05 88.59 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.924 0.49 . . . . 74.2 109.974 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.26 -40.53 81.89 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.471 1.108 . . . . 73.34 111.492 -176.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.6 mt -80.2 -18.63 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.871 0.868 . . . . 75.45 109.9 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.85 -63.65 2.15 Favored Glycine 0 C--N 1.343 0.951 0 N-CA-C 110.615 -0.994 . . . . 71.12 110.615 -176.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -136.23 127.84 28.85 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.83 -1.174 . . . . 71.25 107.83 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 p -74.46 76.39 1.93 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.276 0.63 . . . . 73.43 111.251 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.89 -36.62 59.41 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.133 0.973 . . . . 74.24 109.949 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -83.84 135.28 42.94 Favored Pre-proline 0 C--O 1.247 0.963 0 CA-C-N 115.008 -0.997 . . . . 74.3 109.716 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.567 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 31.6 Cg_exo -59.85 143.78 99.55 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.471 2.114 . . . . 65.52 111.088 171.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.2 mm -96.76 103.96 16.58 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 122.911 0.484 . . . . 74.54 110.274 -175.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.405 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 85.1 Cg_endo -82.12 111.25 2.14 Favored 'Trans proline' 0 C--N 1.373 1.816 0 C-N-CA 122.242 1.961 . . . . 75.35 111.783 175.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -89.27 96.8 0.8 Allowed Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 124.306 1.042 . . . . 74.34 109.645 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 39.0 Cg_endo -87.17 25.18 0.68 Allowed 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 123.038 2.492 . . . . 74.03 113.4 -170.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -125.02 -59.27 1.42 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.92 0.888 . . . . 72.25 110.057 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.38 126.73 37.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 116.12 -0.491 . . . . 73.44 110.553 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 p -74.58 166.89 22.8 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.965 0.906 . . . . 72.13 110.869 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.525 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 61.5 p -64.39 -46.36 83.66 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.405 0.682 . . . . 74.51 112.382 -173.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.4 p -60.1 -48.49 81.51 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.611 0.764 . . . . 70.4 111.116 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.451 HG22 HD21 ' A' ' 91' ' ' LEU . 49.4 mm -67.54 -46.95 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.477 -0.783 . . . . 74.42 110.415 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.58 -35.3 80.05 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.339 0.656 . . . . 75.02 110.996 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.3 -51.27 70.65 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.889 0.876 . . . . 75.35 110.361 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -64.69 -49.51 70.63 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 114.809 -1.087 . . . . 72.54 111.283 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.407 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 91.1 t -61.1 -44.89 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 123.357 0.411 . . . . 71.03 110.532 -175.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.552 ' HB3' HD12 ' A' ' 16' ' ' ILE . 71.5 mt -68.66 -30.3 68.96 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.116 0.566 . . . . 74.11 112.012 178.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.62 -42.61 77.83 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.122 0.569 . . . . 61.31 109.621 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -68.57 -36.44 78.76 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.26 -0.882 . . . . 64.34 110.233 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.674 ' SG ' HD12 ' A' ' 100' ' ' ILE . 73.8 m -62.33 -40.38 96.17 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.83 0.452 . . . . 65.54 110.57 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 35.2 ttt180 -66.29 -42.39 88.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.988 -0.551 . . . . 75.42 109.78 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -54.49 -43.15 71.54 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.968 0.907 . . . . 73.43 111.213 174.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -74.44 -26.93 60.36 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.273 -0.876 . . . . 72.31 111.583 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -80.2 -39.25 29.57 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.577 0.227 . . . . 74.23 110.872 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 13.7 mm100 -71.36 -38.18 71.59 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.424 0.69 . . . . 74.12 110.039 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -127.23 86.89 57.71 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.069 0.948 . . . . 73.35 108.539 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -77.64 70.46 6.9 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.848 2.366 . . . . 53.14 111.915 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.45 125.06 25.82 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.57 -0.741 . . . . 61.33 111.578 177.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.41 -39.38 95.74 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.968 0.451 . . . . 74.32 113.445 -176.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.0 p -156.28 101.07 2.03 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.336 0.654 . . . . 73.32 109.802 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.27 1.22 57.34 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.962 -0.563 . . . . 65.11 112.9 176.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.4 tp -84.5 73.4 10.53 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.8 0.84 . . . . 63.3 109.519 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.1 t70 174.09 -53.36 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.819 1.648 . . . . 70.35 107.855 178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.76 -50.5 72.11 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 114.734 -1.121 . . . . 73.11 109.318 172.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.6 mt 60.11 84.6 0.2 Allowed Pre-proline 0 CA--C 1.551 1.007 0 O-C-N 124.98 1.425 . . . . 73.31 109.46 -178.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.0 138.28 47.32 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.562 2.175 . . . . 64.22 111.429 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -49.24 -45.5 29.7 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.84 3.027 . . . . 72.41 113.866 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -58.16 -55.5 34.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 123.3 0.375 . . . . 73.33 110.646 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.83 -30.15 71.27 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.566 1.146 . . . . 75.41 111.113 -174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -72.94 -55.04 7.15 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.465 1.106 . . . . 75.14 110.96 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -72.63 -21.84 61.04 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.028 -0.987 . . . . 75.34 111.261 -174.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' HE2' HD23 ' A' ' 103' ' ' LEU . 59.3 t80 -57.51 -43.3 84.11 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.848 0.859 . . . . 75.24 110.739 174.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 73.6 m -74.43 -11.57 60.27 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.393 -0.822 . . . . 73.12 112.329 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -78.7 79.05 5.13 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.32 0.648 . . . . 73.21 110.687 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -130.23 173.15 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.195 0.998 . . . . 75.22 109.121 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.15 160.89 20.26 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.784 0.434 . . . . 73.53 110.337 175.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -49.28 92.49 Favored Pre-proline 0 CA--C 1.565 1.537 0 CA-C-O 118.475 -0.774 . . . . 74.42 111.798 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.408 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 27.5 Cg_endo -60.11 -40.83 57.18 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 121.499 1.466 . . . . 74.31 111.92 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.4 m -65.71 -30.63 71.33 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.847 0.859 . . . . 73.52 111.356 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 tt -70.98 -46.35 62.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.115 0.966 . . . . 72.01 108.595 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -62.06 -32.84 73.41 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.766 0.666 . . . . 73.14 110.906 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 40.7 mm-40 -64.25 -38.6 91.63 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.054 0.542 . . . . 74.35 111.438 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.451 HD21 HG22 ' A' ' 50' ' ' ILE . 87.4 mt -67.7 -36.89 81.47 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.931 0.492 . . . . 75.22 110.716 176.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.01 -46.39 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.57 0.748 . . . . 74.34 109.813 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.81 -38.09 82.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.814 0.845 . . . . 74.15 111.159 -176.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.0 -41.17 71.29 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.501 0.72 . . . . 73.34 111.08 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.458 ' HB1' HD12 ' A' ' 103' ' ' LEU . . . -69.13 -35.09 76.02 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.029 -0.987 . . . . 75.33 111.049 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -74.59 -35.4 62.99 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.494 0.718 . . . . 73.45 109.924 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -65.52 -37.13 85.88 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.368 1.067 . . . . 74.21 111.05 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.5 mt -102.78 -7.48 21.59 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.755 -0.657 . . . . 74.5 112.11 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 64.96 30.98 11.65 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.617 1.167 . . . . 72.13 111.933 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.674 HD12 ' SG ' ' A' ' 58' ' ' CYS . 65.8 mt -74.98 83.87 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 123.61 0.764 . . . . 65.25 108.978 171.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 102' ' ' PRO . 0.7 OUTLIER -64.1 -40.67 55.71 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 117.841 -1.076 . . . . 74.12 112.494 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 4.4 Cg_endo -46.29 -49.28 11.85 Favored 'Trans proline' 0 C--N 1.396 3.047 0 C-N-CA 122.593 2.196 . . . . 74.22 114.131 175.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.458 HD12 ' HB1' ' A' ' 95' ' ' ALA . 2.3 tm? -75.93 -44.95 37.71 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.779 0.432 . . . . 75.24 109.991 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.61 HD22 HD22 ' B' ' 104' ' ' LEU . 54.0 tp -53.25 -42.47 66.48 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.364 1.066 . . . . 75.43 112.028 -177.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.72 -51.24 63.43 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.695 0.798 . . . . 70.34 110.069 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.2 t -57.8 -42.36 81.83 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 O-C-N 124.179 0.924 . . . . 72.43 111.085 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.5 m -73.11 -32.65 65.09 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.884 0.874 . . . . 75.43 111.375 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 76.7 m -75.72 -28.97 58.78 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.314 0.646 . . . . 61.53 110.689 175.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -30.36 62.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.163 0.585 . . . . 63.22 110.325 174.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.9 m -60.56 -49.79 76.15 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.102 0.561 . . . . 55.54 110.9 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.496 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 27.2 m -69.5 -32.21 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 122.572 0.349 . . . . 72.35 111.6 177.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.43 93.76 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.659 0.599 . . . . 73.44 111.137 176.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -65.23 -32.23 73.8 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.493 0.717 . . . . 64.14 111.301 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.496 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 44.7 mtm -67.36 -36.14 80.78 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 123.5 0.5 . . . . 73.4 111.286 -178.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.8 pt -94.03 -13.59 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 122.662 0.385 . . . . 75.41 111.522 177.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -80.71 91.67 5.91 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 107.899 -1.148 . . . . 74.41 107.899 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.248 0 CA-C-O 118.942 -0.921 . . . . 64.03 111.386 -179.785 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.236 0.065 . . . . 41.35 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 49.4 mt -110.38 116.55 31.64 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.445 -0.576 . . . . 75.25 109.445 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.8 m -88.1 107.61 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 CA-C-O 121.744 0.783 . . . . 72.34 108.919 173.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.578 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 93.7 mttt -75.94 108.51 8.87 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.882 -1.054 . . . . 75.34 109.912 -177.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 mt -100.43 92.88 5.36 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 123.582 0.753 . . . . 74.04 109.948 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.464 ' HG3' HG23 ' B' ' 13' ' ' VAL . 2.9 mp0 -69.52 109.29 4.18 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 108.711 -0.848 . . . . 72.43 108.711 170.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.9 p -62.3 -178.17 0.17 Allowed 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 121.396 0.617 . . . . 60.24 111.354 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.0 t -66.64 -18.12 65.2 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.065 0.546 . . . . 70.4 110.467 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . 0.541 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 35.4 t70 -96.14 8.17 44.5 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 124.513 1.125 . . . . 73.43 110.487 175.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 67.81 9.68 7.27 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.743 1.617 . . . . 73.44 113.669 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.501 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 10.4 mmpt? -73.25 122.13 21.45 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.434 -0.58 . . . . 73.52 109.434 178.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.464 HG23 ' HG3' ' B' ' 7' ' ' GLU . 42.7 t -81.0 100.35 5.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 124.197 0.999 . . . . 61.43 109.929 -174.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -92.57 88.35 6.29 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.454 0.702 . . . . 73.1 109.548 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 27.6 mt-10 -75.46 76.07 2.51 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.693 0.797 . . . . 75.14 109.232 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.557 HD12 ' HB3' ' B' ' 55' ' ' LEU . 12.4 tt -92.44 149.22 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 115.774 -0.648 . . . . 74.31 109.431 -175.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -66.73 135.48 54.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.229 0.612 . . . . 61.52 110.014 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.502 ' HE2' HG23 ' B' ' 31' ' ' ILE . 56.1 tttm -63.54 -30.68 71.76 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.434 1.094 . . . . 73.3 111.795 -173.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.15 -32.16 71.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.456 0.702 . . . . 61.2 111.987 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 40.1 mt -76.32 -41.36 36.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 123.8 0.84 . . . . 75.04 109.43 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.49 -1.15 14.77 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.789 -1.096 . . . . 73.15 112.788 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 67.3 m -74.39 -29.82 61.69 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.425 0.69 . . . . 72.45 111.408 171.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 61.2 mtm -68.29 -30.18 69.13 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 122.975 0.51 . . . . 75.33 110.045 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -71.61 102.75 2.83 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.177 -0.92 . . . . 54.11 108.982 166.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.9 -31.9 55.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 109.919 -0.4 . . . . 75.32 109.919 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' B' ' 98' ' ' LEU . 97.9 m -64.24 -50.05 69.52 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.578 0.351 . . . . 64.45 111.003 177.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.448 ' O ' HG13 ' B' ' 31' ' ' ILE . 68.5 mt -65.41 -43.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 109.263 -0.643 . . . . 73.42 109.263 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' B' ' 32' ' ' GLU . 61.2 tttp -55.11 -51.97 64.72 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 124.444 1.09 . . . . 74.44 111.103 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.43 -36.6 73.88 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.613 0.765 . . . . 74.24 111.065 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 76.1 mtm -71.11 -38.82 72.32 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.764 0.665 . . . . 72.24 110.725 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.502 HG23 ' HE2' ' B' ' 18' ' ' LYS . 80.7 mt -65.97 -39.58 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 122.767 0.427 . . . . 75.25 110.058 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' B' ' 28' ' ' LYS . 60.7 mm-40 -66.59 -41.53 88.34 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.011 0.524 . . . . 75.01 110.249 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -68.99 -42.09 76.96 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.178 -0.919 . . . . 74.03 110.973 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.63 -19.3 14.0 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 123.871 0.868 . . . . 70.31 110.111 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.93 -63.99 2.09 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 110.384 -1.086 . . . . 45.03 110.384 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -136.44 129.37 31.04 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 107.833 -1.173 . . . . 64.11 107.833 172.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.9 p -75.01 79.29 2.2 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.271 0.629 . . . . 72.33 110.631 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.64 -37.93 48.99 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.83 0.852 . . . . 74.3 109.658 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 62.3 p -81.67 134.28 50.99 Favored Pre-proline 0 C--O 1.245 0.856 0 CA-C-N 115.211 -0.904 . . . . 70.42 109.804 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.578 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 33.1 Cg_exo -59.35 144.63 99.34 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.376 2.051 . . . . 72.34 110.727 171.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -97.28 105.5 25.5 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 122.582 0.353 . . . . 75.55 110.089 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.9 113.0 2.13 Favored 'Trans proline' 0 C--N 1.371 1.734 0 C-N-CA 122.125 1.883 . . . . 74.52 111.412 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.2 mt -90.8 96.3 0.94 Allowed Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 124.318 1.047 . . . . 70.5 109.613 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -88.37 29.77 0.45 Allowed 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 123.253 2.635 . . . . 62.34 112.889 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -128.19 -59.91 1.15 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.855 0.862 . . . . 63.45 109.573 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.47 127.15 37.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.935 -0.575 . . . . 74.5 110.563 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p -74.98 166.71 23.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.053 0.941 . . . . 71.54 110.696 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.541 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 50.9 p -63.54 -47.55 81.16 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.569 0.748 . . . . 71.24 112.515 -173.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 38.8 p -59.56 -49.64 77.0 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.985 0.914 . . . . 74.35 111.139 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.44 HG22 HD21 ' B' ' 91' ' ' LEU . 49.0 mm -65.97 -47.06 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 115.656 -0.702 . . . . 72.52 110.33 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.84 -35.17 79.74 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.312 0.645 . . . . 71.11 111.114 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.75 -51.23 70.66 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.852 0.861 . . . . 74.21 110.375 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.13 -49.7 71.13 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.92 -1.036 . . . . 74.54 111.314 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.09 -45.38 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 O-C-N 123.394 0.434 . . . . 73.24 110.455 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.557 ' HB3' HD12 ' B' ' 16' ' ' ILE . 70.4 mt -67.93 -30.89 70.32 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.144 0.578 . . . . 72.22 112.148 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.79 -42.18 77.74 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 109.624 -0.51 . . . . 73.3 109.624 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -68.31 -36.51 79.42 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.345 -0.843 . . . . 74.52 110.161 176.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.682 ' SG ' HD12 ' B' ' 100' ' ' ILE . 73.4 m -62.41 -40.71 97.41 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.861 0.464 . . . . 72.24 110.513 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 36.2 ttt180 -66.04 -42.27 89.8 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.145 -0.48 . . . . 73.31 109.857 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -54.67 -43.12 72.15 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.034 0.934 . . . . 74.34 111.306 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -74.22 -27.43 60.78 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.175 -0.92 . . . . 75.24 111.515 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -78.99 -39.59 33.77 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.54 0.209 . . . . 75.2 110.633 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 12.8 mm100 -71.34 -38.42 71.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.651 0.78 . . . . 72.34 110.198 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -127.01 87.32 56.95 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 123.918 0.887 . . . . 75.3 108.645 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.92 71.7 6.49 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.931 2.421 . . . . 74.53 111.758 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.72 125.2 22.45 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 115.177 -0.92 . . . . 55.13 111.719 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.92 -39.64 96.65 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 123.913 0.419 . . . . 65.32 113.478 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.5 p -157.42 99.96 1.79 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.391 0.677 . . . . 72.3 110.076 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.64 1.21 59.88 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 116.154 -0.476 . . . . 75.44 112.776 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 54.0 tp -84.07 72.96 10.44 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.691 0.796 . . . . 75.35 109.753 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t70 174.49 -53.91 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.752 1.621 . . . . 70.4 107.739 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.33 -50.39 71.83 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.308 -1.314 . . . . 73.14 109.715 172.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 59.4 mt 59.78 84.66 0.2 Allowed Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 124.883 1.273 . . . . 75.04 109.74 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.88 138.18 47.53 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.564 2.176 . . . . 72.33 111.455 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -49.15 -44.47 33.19 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 124.109 3.206 . . . . 62.54 113.9 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -59.28 -55.55 33.36 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 123.265 0.353 . . . . 74.04 111.024 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.6 -29.93 70.97 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.479 1.112 . . . . 63.34 111.063 -175.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -73.42 -55.01 6.92 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.493 1.117 . . . . 73.42 110.886 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -72.64 -21.56 61.08 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.101 -0.954 . . . . 74.31 111.243 -174.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -57.27 -43.69 83.28 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.948 0.899 . . . . 74.11 110.604 173.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 70.5 m -75.01 -11.07 60.02 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.842 0.857 . . . . 74.54 112.275 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -78.73 79.94 5.12 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.187 0.595 . . . . 74.13 110.491 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 20.8 m -132.23 170.28 20.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 C-N-CA 124.409 1.083 . . . . 71.11 108.998 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.68 160.32 14.4 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.006 0.522 . . . . 71.13 110.404 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -49.48 91.05 Favored Pre-proline 0 CA--C 1.562 1.416 0 CA-C-O 118.476 -0.773 . . . . 74.43 111.822 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . 0.447 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 27.4 Cg_endo -60.09 -40.36 61.51 Favored 'Trans proline' 0 C--N 1.392 2.838 0 CA-C-N 120.953 1.376 . . . . 74.35 111.941 173.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 10.2 m -65.69 -30.62 71.34 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.693 0.797 . . . . 75.33 111.295 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tt -71.24 -46.41 61.13 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.273 1.029 . . . . 62.3 108.509 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -61.94 -33.06 73.58 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.819 0.699 . . . . 73.11 110.83 175.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 29.6 mm-40 -64.05 -38.66 91.87 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.956 0.502 . . . . 73.45 111.427 175.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.44 HD21 HG22 ' B' ' 50' ' ' ILE . 87.3 mt -67.54 -36.82 81.73 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.037 0.535 . . . . 72.52 110.776 176.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.16 -46.21 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.538 0.735 . . . . 72.04 109.778 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.91 -38.12 82.55 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.849 0.86 . . . . 72.42 111.074 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.08 -41.44 70.68 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.577 0.751 . . . . 74.2 111.057 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.474 ' HB1' HD12 ' B' ' 103' ' ' LEU . . . -68.74 -35.24 76.85 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.074 -0.966 . . . . 63.23 110.975 177.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . 0.415 ' ND2' ' HG ' ' A' ' 104' ' ' LEU . 41.6 t-20 -74.22 -35.69 63.89 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.475 0.71 . . . . 73.21 110.001 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -65.95 -35.57 80.96 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.233 1.013 . . . . 73.54 111.067 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.404 ' HA ' ' HB ' ' B' ' 26' ' ' THR . 84.9 mt -103.87 -7.3 20.58 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.094 0.558 . . . . 73.21 112.448 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 64.92 30.83 11.81 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.585 1.154 . . . . 70.4 111.699 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.682 HD12 ' SG ' ' B' ' 58' ' ' CYS . 65.8 mt -74.93 83.81 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 109.006 -0.739 . . . . 74.4 109.006 171.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' B' ' 102' ' ' PRO . 0.7 OUTLIER -64.21 -40.4 52.3 Favored Pre-proline 0 CA--C 1.559 1.321 0 CA-C-O 117.747 -1.12 . . . . 73.32 112.577 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' B' ' 101' ' ' LYS . 4.2 Cg_endo -46.14 -49.51 11.31 Favored 'Trans proline' 0 C--N 1.395 3.026 0 C-N-CA 122.472 2.114 . . . . 74.33 114.215 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.474 HD12 ' HB1' ' B' ' 95' ' ' ALA . 2.3 tm? -75.87 -44.97 38.08 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.743 0.417 . . . . 73.23 109.974 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.61 HD22 HD22 ' A' ' 104' ' ' LEU . 54.2 tp -53.29 -42.67 66.82 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.384 1.074 . . . . 75.55 112.041 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.6 -51.12 64.37 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.899 0.749 . . . . 70.01 110.05 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.6 -42.7 81.86 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 O-C-N 124.079 0.862 . . . . 73.51 111.031 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.2 m -72.95 -32.64 65.38 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.056 0.942 . . . . 74.02 111.318 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 78.4 m -75.85 -28.71 58.32 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.319 0.648 . . . . 65.33 110.741 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.51 -30.27 61.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.178 0.591 . . . . 72.44 110.306 174.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 55.3 m -60.43 -50.02 75.26 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.193 0.597 . . . . 75.02 110.749 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.491 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 27.3 m -69.68 -32.02 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 122.602 0.361 . . . . 72.21 111.437 177.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.8 -39.58 94.69 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.071 0.548 . . . . 72.41 111.048 176.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.62 -33.11 75.16 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.663 0.785 . . . . 75.31 111.252 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.491 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 53.8 mtm -66.59 -36.03 81.64 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.836 0.455 . . . . 72.52 111.679 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 39.1 pt -94.28 -13.1 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.738 0.415 . . . . 74.2 111.267 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -80.92 91.48 6.02 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 107.807 -1.183 . . . . 72.52 107.807 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.382 0 CA-C-O 119.01 -0.883 . . . . 62.54 111.365 -179.891 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 110.543 -0.169 . . . . 71.21 110.543 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 17' ' ' GLU . 75.7 mt -112.79 119.08 36.79 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.31 0.644 . . . . 75.34 110.079 -179.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.2 m -93.03 137.46 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 N-CA-C 108.948 -0.76 . . . . 64.41 108.948 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 92.9 mttt -94.32 121.52 35.93 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.538 -0.912 . . . . 75.44 108.538 -177.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.666 HD13 HD12 ' A' ' 27' ' ' ILE . 80.1 mt -120.21 100.67 7.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.978 0.511 . . . . 72.01 109.859 -176.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.471 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 2.7 mp0 -75.05 144.46 42.99 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.097 0.475 . . . . 74.33 109.962 173.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 p -82.83 -176.68 6.42 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.422 -0.808 . . . . 71.11 110.215 171.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -63.69 -27.4 69.19 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.535 0.734 . . . . 61.24 110.236 169.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -83.78 1.78 41.21 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.392 1.077 . . . . 71.52 111.367 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 70.92 13.5 7.02 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.231 1.412 . . . . 75.15 113.253 171.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 7' ' ' GLU . 45.1 mmtm -77.53 126.07 30.33 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.65 -0.5 . . . . 74.42 109.65 176.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.2 t -72.44 122.63 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.818 0.847 . . . . 71.12 109.611 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.469 ' CD1' HD13 ' A' ' 51' ' ' LEU . 95.6 m-85 -117.09 91.6 3.62 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.624 0.77 . . . . 74.41 108.944 174.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 43.5 mt-10 -72.19 103.53 3.37 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.214 -0.903 . . . . 71.44 109.651 176.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.45 HD12 ' HB3' ' A' ' 55' ' ' LEU . 14.5 tt -119.37 147.68 22.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 124.497 1.119 . . . . 75.31 108.079 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HB3' HG13 ' A' ' 20' ' ' ILE . 32.6 tt0 -66.04 136.95 56.71 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.381 -0.599 . . . . 73.12 109.381 178.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HG3' HD11 ' A' ' 31' ' ' ILE . 38.2 ttpt -59.27 -34.13 71.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.706 0.802 . . . . 64.42 111.474 -174.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -59.95 -37.67 80.23 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.112 0.965 . . . . 72.02 111.614 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.52 HG13 ' HB3' ' A' ' 17' ' ' GLU . 10.2 mt -79.76 -29.97 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 C-N-CA 123.123 0.569 . . . . 74.12 109.998 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.21 -18.59 60.74 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.528 0.731 . . . . 71.11 111.596 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 94.5 m -73.14 -22.45 60.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.506 0.722 . . . . 73.34 111.604 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 85.6 mtp -63.04 -32.3 73.64 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.58 0.705 . . . . 73.45 110.433 173.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.531 ' HA ' HG12 ' A' ' 100' ' ' ILE . 35.9 t -81.92 111.26 17.94 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.623 -1.172 . . . . 53.11 108.204 170.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 46.5 t -64.91 -39.25 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 123.126 0.266 . . . . 75.01 110.764 -176.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.425 ' O ' ' HG2' ' A' ' 30' ' ' MET . 98.4 m -60.65 -51.56 68.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.183 0.593 . . . . 75.13 111.757 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.666 HD12 HD13 ' A' ' 6' ' ' LEU . 82.2 mt -69.43 -35.21 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.153 0.581 . . . . 73.43 110.405 -177.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -58.38 -46.89 85.46 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.102 0.961 . . . . 75.32 110.067 173.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -63.87 -35.65 81.34 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.87 0.868 . . . . 74.41 111.187 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 26' ' ' THR . 25.3 mmt -63.57 -47.0 83.31 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.007 0.523 . . . . 74.04 110.697 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.455 HD11 ' HG3' ' A' ' 18' ' ' LYS . 77.5 mt -66.04 -43.68 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.797 0.839 . . . . 74.21 110.54 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.58 -29.25 64.5 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.256 0.622 . . . . 72.32 111.901 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.6 -43.38 72.91 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.561 0.744 . . . . 72.25 110.614 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.4 mt -75.45 -21.38 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-N 114.96 -1.018 . . . . 74.1 109.734 173.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.73 -74.76 2.47 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 110.053 -1.219 . . . . 63.03 110.053 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.21 93.86 4.48 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.182 -1.044 . . . . 70.43 108.182 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -78.27 82.98 4.54 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.345 0.593 . . . . 62.23 110.155 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.41 -32.44 64.43 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.149 -0.932 . . . . 64.54 109.35 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -73.99 138.05 76.11 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 115.157 -0.929 . . . . 72.31 109.046 176.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.54 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.1 Cg_endo -68.88 143.55 55.61 Favored 'Trans proline' 0 C--N 1.361 1.204 0 C-N-CA 121.94 1.76 . . . . 71.53 110.957 175.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.6 mm -96.95 105.62 25.09 Favored Pre-proline 0 CA--C 1.547 0.849 0 N-CA-C 109.35 -0.611 . . . . 74.54 109.35 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -81.33 145.68 15.17 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.029 1.82 . . . . 74.31 111.329 173.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.444 ' HB3' ' HE1' ' A' ' 97' ' ' TYR . 3.0 mm? -117.37 87.82 26.08 Favored Pre-proline 0 CA--C 1.552 1.05 0 N-CA-C 108.29 -1.004 . . . . 74.24 108.29 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -80.11 63.8 8.79 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.339 2.693 . . . . 72.22 112.553 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -159.23 -58.55 0.07 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.331 1.052 . . . . 73.12 109.137 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.32 130.14 36.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 C-N-CA 123.324 0.65 . . . . 74.14 110.696 -177.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 p -72.92 168.45 18.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.864 0.866 . . . . 70.43 111.167 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 p -62.18 -47.58 83.85 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 112.965 0.728 . . . . 74.1 112.965 -173.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 35.5 p -65.25 -42.66 93.06 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.524 0.73 . . . . 71.41 111.363 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.453 HG22 HD22 ' A' ' 91' ' ' LEU . 51.2 mm -72.18 -42.76 66.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 123.157 0.583 . . . . 74.5 110.527 -177.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 14' ' ' PHE . 3.2 tm? -63.19 -37.53 87.59 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.972 0.909 . . . . 74.12 109.867 177.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.49 -51.17 71.02 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 123.951 0.782 . . . . 72.45 109.737 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HE2' HG13 ' A' ' 83' ' ' VAL . 26.8 mtpp -59.09 -52.53 65.35 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.223 0.952 . . . . 75.31 111.507 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.44 HG13 HD13 ' A' ' 100' ' ' ILE . 97.4 t -60.94 -42.12 91.61 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 C-N-CA 123.152 0.581 . . . . 73.42 111.137 -174.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB3' HD12 ' A' ' 16' ' ' ILE . 43.9 mt -75.17 -28.51 60.09 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 112.52 0.563 . . . . 74.02 112.52 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.95 -32.89 65.55 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.173 0.589 . . . . 75.03 110.735 -178.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.46 ' HH ' HG23 ' A' ' 106' ' ' VAL . 80.1 t80 -62.92 -41.85 99.6 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.444 0.698 . . . . 75.44 109.758 170.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 75.7 m -64.02 -35.8 81.91 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.169 -0.923 . . . . 75.31 111.255 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.65 -44.57 95.93 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.36 0.664 . . . . 73.21 110.434 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -60.14 -47.69 84.87 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.125 -0.943 . . . . 74.2 111.195 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -77.2 -18.01 58.07 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 116.071 -0.513 . . . . 74.22 111.134 -175.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -69.08 -48.44 62.67 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.874 0.87 . . . . 71.35 110.863 173.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -90.89 -18.85 24.09 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.061 -0.972 . . . . 74.22 110.905 -172.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -131.75 88.07 43.47 Favored Pre-proline 0 C--O 1.242 0.705 0 N-CA-C 107.809 -1.182 . . . . 73.15 107.809 175.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.6 89.51 0.28 Allowed 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.173 1.915 . . . . 63.0 110.764 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.72 -177.41 51.37 Favored Glycine 0 C--N 1.346 1.09 0 CA-C-N 115.093 -0.958 . . . . 74.21 113.897 -176.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.66 -40.81 1.56 Allowed Glycine 0 C--N 1.342 0.896 0 N-CA-C 110.735 -0.946 . . . . 72.22 110.735 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.5 m -75.35 84.17 2.48 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 121.66 0.743 . . . . 54.31 109.124 173.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.16 57.29 0.03 OUTLIER Glycine 0 C--O 1.24 0.486 0 N-CA-C 109.827 -1.309 . . . . 63.22 109.827 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.79 119.69 7.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.647 0.779 . . . . 72.41 110.655 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.9 t70 67.78 1.11 2.53 Favored 'General case' 0 CA--C 1.565 1.532 0 C-N-CA 125.042 1.337 . . . . 65.14 112.722 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -106.02 90.59 3.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.062 0.945 . . . . 72.33 109.418 -176.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.0 mt -91.35 119.22 68.73 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 123.476 0.71 . . . . 74.11 109.178 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.39 151.8 82.37 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.519 2.146 . . . . 75.41 111.706 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -45.42 -38.61 15.93 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 124.323 3.349 . . . . 73.14 115.422 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.9 -57.6 12.17 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 117.694 0.224 . . . . 64.24 110.879 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -66.64 -27.92 68.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.84 0.856 . . . . 64.32 111.026 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.52 -55.97 8.68 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.225 0.61 . . . . 73.31 110.289 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.49 -24.31 64.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.717 0.807 . . . . 73.33 111.536 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.46 ' HE1' HD23 ' A' ' 103' ' ' LEU . 54.5 t80 -61.64 -51.93 66.44 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.691 0.796 . . . . 72.53 110.151 175.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 80.8 m -82.69 -26.8 31.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.224 -0.898 . . . . 65.14 111.177 -175.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HZ3' ' HB3' ' A' ' 82' ' ' LYS . 9.3 mtpm? -80.39 84.63 5.99 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.078 -0.712 . . . . 75.41 109.078 175.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.469 HG13 ' HE2' ' A' ' 53' ' ' LYS . 16.1 m -124.12 -178.8 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.315 1.046 . . . . 75.21 109.482 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -65.13 154.28 38.42 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.274 0.63 . . . . 73.54 110.21 -176.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.508 ' HA ' HD13 ' A' ' 88' ' ' LEU . 54.2 tp60 -55.06 -50.11 88.34 Favored Pre-proline 0 CA--C 1.566 1.575 0 N-CA-C 113.438 0.903 . . . . 74.33 113.438 -171.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.479 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 34.4 Cg_exo -63.02 -37.04 55.74 Favored 'Trans proline' 0 C--N 1.387 2.561 0 C-N-CA 122.162 1.908 . . . . 73.13 113.0 172.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.0 m -63.26 -31.51 72.67 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.808 0.843 . . . . 61.5 111.202 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 85' ' ' GLN . 61.9 mt -60.54 -48.82 80.07 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.012 0.925 . . . . 70.5 110.767 173.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.433 ' CD2' HD11 ' B' ' 115' ' ' ILE . 56.6 m-85 -67.1 -30.97 71.14 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.682 -0.69 . . . . 75.21 111.293 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -64.6 -38.35 90.69 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.833 0.453 . . . . 74.14 111.34 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.453 HD22 HG22 ' A' ' 50' ' ' ILE . 97.4 mt -70.26 -34.45 72.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.063 0.545 . . . . 74.0 110.905 176.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 80.6 mt -66.7 -45.36 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.303 0.641 . . . . 73.12 110.178 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.75 -41.37 95.96 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.891 0.876 . . . . 71.52 110.793 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.2 74.76 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.481 0.713 . . . . 74.42 111.489 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.467 ' HB3' HD13 ' A' ' 103' ' ' LEU . . . -72.53 -29.06 63.25 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.912 0.485 . . . . 74.05 111.524 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -70.38 -44.35 68.21 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.935 0.894 . . . . 74.1 109.539 173.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.444 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 73.9 t80 -70.18 -36.73 74.87 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.578 1.151 . . . . 73.11 111.96 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.46 HD22 HD11 ' A' ' 27' ' ' ILE . 96.5 mt -92.0 -7.67 48.22 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.618 0.767 . . . . 75.35 110.8 179.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.512 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER 66.4 22.61 10.73 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.538 1.135 . . . . 73.2 111.037 175.153 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.531 HG12 ' HA ' ' A' ' 24' ' ' SER . 33.6 mt -83.65 85.29 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 108.543 -0.91 . . . . 75.32 108.543 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -64.06 -37.96 31.33 Favored Pre-proline 0 CA--C 1.557 1.245 0 CA-C-N 114.238 -1.346 . . . . 74.42 112.804 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.412 ' O ' HG21 ' A' ' 106' ' ' VAL . 71.2 Cg_exo -47.85 -48.01 17.23 Favored 'Trans proline' 0 C--N 1.399 3.205 0 C-N-CA 122.362 2.042 . . . . 70.43 113.88 169.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 95' ' ' ALA . 2.7 tm? -76.51 -41.21 47.74 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.175 0.59 . . . . 64.23 110.068 -178.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.481 HD23 HD23 ' B' ' 104' ' ' LEU . 64.0 tp -56.64 -43.93 80.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.354 1.062 . . . . 73.24 111.047 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.0 -48.48 78.63 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.135 0.897 . . . . 72.3 110.356 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.46 HG23 ' HH ' ' A' ' 57' ' ' TYR . 87.0 t -60.2 -45.22 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.257 0.623 . . . . 74.31 111.216 -178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.1 m -68.64 -37.92 80.09 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.118 0.567 . . . . 72.44 111.386 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 82.8 m -67.79 -31.23 70.97 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.237 0.615 . . . . 71.3 110.919 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.33 -36.65 61.01 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.077 0.551 . . . . 75.33 110.481 175.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.5 m -64.6 -46.96 80.42 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.077 0.551 . . . . 61.24 110.957 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.549 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 33.0 m -67.28 -33.09 60.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.932 -0.576 . . . . 73.54 110.863 178.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.41 -31.3 67.09 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 123.199 0.6 . . . . 64.44 110.966 175.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.88 -36.91 83.38 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.036 0.534 . . . . 73.23 111.219 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.549 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 38.4 mtm -62.16 -34.33 76.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.576 0.75 . . . . 74.42 111.793 -178.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 24.5 pt -94.75 -35.19 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 116.089 -0.505 . . . . 73.33 111.061 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 173.11 88.89 0.0 OUTLIER 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.699 1.599 . . . . 75.25 109.008 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 CA-C-O 119.431 -0.65 . . . . 72.43 112.868 169.107 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.294 -0.261 . . . . 61.24 110.294 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' B' ' 17' ' ' GLU . 75.4 mt -112.25 118.76 36.19 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.21 0.604 . . . . 74.33 110.105 -178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.1 m -93.08 137.83 21.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 109.066 -0.716 . . . . 74.53 109.066 171.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 92.2 mttt -95.09 121.85 37.16 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.658 -0.868 . . . . 73.44 108.658 -176.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.68 HD13 HD12 ' B' ' 27' ' ' ILE . 79.0 mt -120.62 100.75 7.31 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.008 0.523 . . . . 74.3 109.702 -175.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' B' ' 12' ' ' LYS . 1.7 mp0 -75.51 144.58 41.92 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.02 0.438 . . . . 72.42 109.849 173.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.9 p -83.11 -176.53 6.38 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.415 -0.811 . . . . 73.04 110.15 172.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.9 t -63.28 -28.2 69.86 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.567 0.747 . . . . 71.22 110.143 169.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.98 3.74 32.92 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.578 1.151 . . . . 73.14 111.198 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 68.65 14.29 9.0 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 125.13 1.372 . . . . 74.31 113.415 170.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' B' ' 7' ' ' GLU . 45.7 mmtm -77.97 126.9 31.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.785 0.434 . . . . 71.45 109.91 175.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.2 t -74.27 120.2 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.782 0.833 . . . . 74.45 110.003 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.463 ' CD1' HD13 ' B' ' 51' ' ' LEU . 96.6 m-85 -114.7 90.96 3.47 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.739 0.816 . . . . 75.33 109.067 174.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 41.3 mt-10 -71.61 104.7 3.4 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.169 -0.923 . . . . 72.15 109.279 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' B' ' 55' ' ' LEU . 14.9 tt -120.03 147.61 23.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 124.781 1.232 . . . . 75.05 108.345 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.517 ' HB3' HG13 ' B' ' 20' ' ' ILE . 31.9 tt0 -66.01 136.97 56.76 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 109.361 -0.607 . . . . 75.43 109.361 177.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . 0.465 ' HG3' HD11 ' B' ' 31' ' ' ILE . 38.1 ttpt -59.45 -34.02 72.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.774 0.829 . . . . 73.22 111.59 -175.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -60.07 -36.81 78.18 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.238 1.015 . . . . 73.25 111.566 175.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.517 HG13 ' HB3' ' B' ' 17' ' ' GLU . 9.5 mt -80.94 -30.15 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.104 0.562 . . . . 65.03 110.055 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.67 -19.37 60.85 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.585 0.754 . . . . 72.32 111.414 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 93.0 m -73.01 -22.5 60.65 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.587 0.755 . . . . 74.53 111.519 173.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 83.1 mtp -62.89 -32.62 73.92 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 121.623 0.725 . . . . 74.34 110.284 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.552 ' HA ' HG12 ' B' ' 100' ' ' ILE . 37.5 t -81.55 112.24 18.59 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.027 -0.988 . . . . 75.02 108.413 171.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 41.9 t -64.85 -39.52 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.05 0.386 . . . . 74.51 110.765 -176.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.426 ' O ' ' HG2' ' B' ' 30' ' ' MET . 97.2 m -60.96 -51.94 67.13 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.298 0.639 . . . . 75.24 111.44 178.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.68 HD12 HD13 ' B' ' 6' ' ' LEU . 82.4 mt -68.94 -35.47 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.25 0.62 . . . . 74.25 110.44 -177.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -58.34 -47.21 84.49 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.181 0.992 . . . . 75.21 110.192 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.39 -35.4 80.27 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.914 0.886 . . . . 73.3 111.183 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' MET . . . . . 0.426 ' HG2' ' O ' ' B' ' 26' ' ' THR . 24.8 mmt -63.67 -47.61 80.56 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.828 0.451 . . . . 71.35 110.486 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.465 HD11 ' HG3' ' B' ' 18' ' ' LYS . 78.0 mt -65.83 -43.15 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 115.367 -0.833 . . . . 75.45 110.701 -177.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -71.79 -30.35 65.45 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.603 0.761 . . . . 74.05 111.878 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.45 -44.85 73.98 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.332 0.653 . . . . 60.43 110.623 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 64.2 mt -73.72 -21.87 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 CA-C-N 115.021 -0.991 . . . . 75.54 109.828 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.89 -73.96 2.56 Favored Glycine 0 C--N 1.347 1.157 0 N-CA-C 109.912 -1.275 . . . . 64.34 109.912 -175.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.75 96.67 5.72 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.9 -1.148 . . . . 75.53 107.9 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 26.3 t -79.79 82.04 5.95 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.009 0.433 . . . . 65.2 110.05 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.83 -32.42 65.49 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.513 -0.767 . . . . 71.53 109.143 173.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.4 m -74.22 138.81 75.34 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 114.92 -1.036 . . . . 74.51 109.091 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.558 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 59.2 Cg_endo -69.57 143.6 52.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 C-N-CA 122.031 1.821 . . . . 65.42 111.258 174.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -97.19 105.17 22.89 Favored Pre-proline 0 CA--C 1.547 0.846 0 N-CA-C 109.479 -0.563 . . . . 73.4 109.479 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -80.82 145.86 16.18 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.184 1.922 . . . . 70.54 111.17 173.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.462 ' HB3' ' HE1' ' B' ' 97' ' ' TYR . 3.0 mm? -117.54 87.91 27.31 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 124.284 1.034 . . . . 71.04 108.318 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -80.45 63.99 8.83 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 123.337 2.691 . . . . 74.32 112.384 -175.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -158.37 -60.07 0.08 Allowed 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 114.868 -1.06 . . . . 72.3 108.862 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 6.9 p -83.28 130.43 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 CA-C-N 115.515 -0.766 . . . . 74.32 110.704 -176.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 76.0 p -73.3 168.5 19.05 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.781 0.832 . . . . 73.42 111.188 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.8 p -62.72 -46.58 87.44 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.907 0.706 . . . . 75.55 112.907 -172.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 39.4 p -65.41 -43.28 91.09 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.668 0.787 . . . . 74.44 111.525 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.456 HG22 HD22 ' B' ' 91' ' ' LEU . 51.1 mm -71.51 -42.85 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 115.908 -0.587 . . . . 75.44 110.572 -177.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' B' ' 14' ' ' PHE . 3.2 tm? -63.23 -37.56 87.71 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.921 0.888 . . . . 71.14 109.771 177.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.92 -51.79 68.53 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.927 0.767 . . . . 73.21 109.967 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.451 ' HE2' HG13 ' B' ' 83' ' ' VAL . 26.9 mtpp -58.83 -52.49 65.49 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.605 1.191 . . . . 74.02 111.595 -177.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.44 HG13 HD13 ' B' ' 100' ' ' ILE . 97.5 t -61.04 -41.88 90.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 123.079 0.552 . . . . 74.34 110.971 -174.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.443 ' HB3' HD12 ' B' ' 16' ' ' ILE . 43.2 mt -75.14 -28.71 60.28 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.387 0.514 . . . . 74.55 112.387 176.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.02 -33.44 65.75 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.179 0.592 . . . . 74.24 110.518 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . 0.564 ' HH ' HG23 ' B' ' 106' ' ' VAL . 80.0 t80 -62.41 -41.77 98.94 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.166 0.587 . . . . 71.13 109.836 171.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.07 -35.98 82.52 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.218 -0.901 . . . . 75.23 111.215 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.05 -45.5 93.28 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.485 0.714 . . . . 72.24 110.376 174.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -59.24 -48.07 83.0 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.063 -0.972 . . . . 75.44 111.041 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -77.21 -18.62 57.58 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 123.547 0.53 . . . . 74.1 111.295 -174.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -68.3 -48.62 64.46 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.851 0.86 . . . . 72.1 110.559 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.11 -18.97 24.87 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.194 -0.912 . . . . 75.11 110.979 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -132.76 88.1 39.01 Favored Pre-proline 0 C--O 1.242 0.678 0 C-N-CA 124.838 1.255 . . . . 75.1 107.864 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.71 89.75 0.29 Allowed 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.397 2.065 . . . . 71.1 110.817 176.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.25 -177.28 51.6 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 114.752 -1.113 . . . . 51.13 113.723 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.64 -39.36 1.81 Allowed Glycine 0 C--N 1.341 0.855 0 N-CA-C 110.971 -0.852 . . . . 73.44 110.971 -174.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.9 m -74.34 85.68 1.97 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 108.571 -0.9 . . . . 64.35 108.571 170.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 163.67 57.24 0.02 OUTLIER Glycine 0 C--N 1.337 0.615 0 N-CA-C 110.152 -1.179 . . . . 61.52 110.152 -174.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 pp -60.2 118.95 6.99 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.687 0.795 . . . . 70.41 110.285 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 33.9 t70 66.17 3.07 2.55 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 124.918 1.287 . . . . 74.24 112.749 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -106.4 91.24 3.62 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.71 0.804 . . . . 73.21 109.061 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 60.4 mt -91.76 118.58 68.37 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 123.69 0.796 . . . . 75.35 108.978 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.8 151.55 84.01 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 122.596 2.198 . . . . 72.23 112.001 177.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -45.24 -38.5 14.83 Favored 'Trans proline' 0 C--N 1.385 2.481 0 C-N-CA 124.431 3.421 . . . . 63.31 115.555 -177.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.94 -57.82 11.23 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 117.701 0.228 . . . . 75.42 110.785 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.2 -28.18 68.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.8 0.84 . . . . 72.23 111.021 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.28 -56.28 8.01 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.837 -0.62 . . . . 75.32 110.152 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.07 -23.94 64.1 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.757 0.823 . . . . 63.11 111.626 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.471 ' HE1' HD23 ' B' ' 103' ' ' LEU . 54.3 t80 -61.3 -51.91 66.89 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.821 0.848 . . . . 75.53 110.123 174.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 80.8 m -83.05 -26.74 30.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.08 -0.964 . . . . 74.04 111.102 -175.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.597 ' HB3' ' HZ3' ' B' ' 82' ' ' LYS . 9.3 mtpm? -80.38 84.49 6.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.554 0.692 . . . . 72.31 109.207 175.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.451 HG13 ' HE2' ' B' ' 53' ' ' LYS . 16.7 m -123.44 -178.48 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 114.657 -1.156 . . . . 71.11 109.607 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -65.04 153.35 40.98 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.604 0.761 . . . . 75.31 110.261 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.524 ' HA ' HD13 ' B' ' 88' ' ' LEU . 57.0 tp60 -54.79 -50.15 87.58 Favored Pre-proline 0 CA--C 1.567 1.609 0 C-N-CA 123.827 0.851 . . . . 71.24 113.23 -171.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . 0.498 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 32.7 Cg_exo -63.26 -36.7 55.32 Favored 'Trans proline' 0 C--N 1.387 2.576 0 C-N-CA 122.339 2.026 . . . . 73.14 113.452 172.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 15.8 m -63.82 -31.56 72.77 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.825 0.85 . . . . 73.24 111.126 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' B' ' 85' ' ' GLN . 61.4 mt -60.22 -48.9 79.77 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.165 0.986 . . . . 74.04 110.54 173.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -66.75 -31.11 71.54 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.604 -0.726 . . . . 72.31 111.265 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -64.6 -38.41 90.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.964 0.506 . . . . 71.51 111.422 175.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.456 HD22 HG22 ' B' ' 50' ' ' ILE . 97.5 mt -70.39 -34.25 72.34 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.183 0.593 . . . . 71.11 111.017 176.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.03 -45.41 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.254 0.622 . . . . 74.44 110.24 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.76 -40.59 95.54 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.714 0.806 . . . . 73.44 110.773 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.05 -42.1 73.34 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.475 0.71 . . . . 65.24 111.423 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.471 ' HB3' HD13 ' B' ' 103' ' ' LEU . . . -73.08 -29.34 62.87 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.875 0.47 . . . . 73.23 111.522 -178.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -68.95 -45.83 69.73 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.832 0.853 . . . . 73.22 109.442 172.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . 0.462 ' HE1' ' HB3' ' B' ' 43' ' ' LEU . 71.3 t80 -69.3 -37.28 77.72 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.49 1.116 . . . . 74.51 111.92 -177.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.488 HD22 HD11 ' B' ' 27' ' ' ILE . 96.0 mt -91.46 -8.25 48.28 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.455 0.702 . . . . 73.05 110.767 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.519 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 0.7 OUTLIER 67.72 22.25 8.99 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.42 1.088 . . . . 70.0 110.947 174.366 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.552 HG12 ' HA ' ' B' ' 24' ' ' SER . 33.2 mt -84.17 85.54 2.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 108.552 -0.907 . . . . 75.13 108.552 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.89 -37.96 32.32 Favored Pre-proline 0 CA--C 1.562 1.415 0 CA-C-N 114.052 -1.431 . . . . 75.01 112.764 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -48.25 -46.65 22.18 Favored 'Trans proline' 0 C--N 1.398 3.17 0 C-N-CA 122.601 2.201 . . . . 62.13 114.042 169.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.471 HD23 ' HE1' ' B' ' 80' ' ' PHE . 2.6 tm? -77.93 -41.19 37.19 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.23 0.612 . . . . 73.52 109.83 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.481 HD23 HD23 ' A' ' 104' ' ' LEU . 62.9 tp -57.2 -43.05 82.37 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.42 1.088 . . . . 75.21 111.027 -178.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.01 -49.0 76.35 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 124.112 0.882 . . . . 65.23 110.427 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.564 HG23 ' HH ' ' B' ' 57' ' ' TYR . 97.3 t -60.56 -44.84 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.286 0.634 . . . . 73.11 111.287 -178.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 19.2 m -68.78 -37.92 79.66 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.102 0.561 . . . . 72.15 111.366 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 97.2 m -67.49 -31.96 72.46 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.159 0.584 . . . . 72.45 110.743 177.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.76 -36.53 62.57 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.073 0.549 . . . . 75.42 110.446 175.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.4 m -64.67 -46.76 81.08 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.03 0.532 . . . . 73.04 110.844 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.53 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 31.6 m -67.43 -32.97 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 116.154 -0.476 . . . . 74.12 110.902 178.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.22 -31.69 67.89 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.365 0.666 . . . . 74.11 110.863 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -33.74 75.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.107 0.563 . . . . 75.33 111.766 -179.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.53 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 38.6 mtm -65.47 -33.52 76.14 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.827 0.704 . . . . 73.13 111.612 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . 0.433 HD11 ' CD2' ' A' ' 89' ' ' PHE . 25.8 pt -94.76 -35.17 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 116.264 -0.426 . . . . 64.34 111.193 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 172.89 87.34 0.0 OUTLIER 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.852 1.661 . . . . 74.32 108.773 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.291 0 CA-C-O 118.974 -0.903 . . . . 37.59 112.483 166.127 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 120.913 0.387 . . . . 73.35 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.3 mt -81.47 117.77 22.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.054 0.542 . . . . 75.22 110.613 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -85.3 131.83 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.748 -0.834 . . . . 74.43 108.748 168.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 85.5 mttt -103.38 125.21 49.86 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.961 -0.755 . . . . 75.44 108.961 -172.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -119.78 96.9 5.37 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.311 0.644 . . . . 74.52 109.596 -172.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -75.14 109.08 8.33 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.28 -0.637 . . . . 71.44 109.28 174.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.9 p -63.64 -175.22 0.12 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.013 0.925 . . . . 74.43 112.044 175.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 t -57.27 -30.73 64.92 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.751 0.821 . . . . 53.21 111.055 172.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.546 ' HB2' ' HB3' ' A' ' 48' ' ' SER . 6.3 m-20 -89.58 9.4 26.92 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.265 1.026 . . . . 74.21 111.77 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 62.19 20.6 11.84 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.33 1.052 . . . . 71.33 112.415 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -79.34 120.97 24.53 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.697 -0.853 . . . . 73.21 108.697 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.1 t -76.89 96.31 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.065 0.946 . . . . 64.51 109.708 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -85.97 89.62 7.85 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.396 0.617 . . . . 74.34 110.473 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -77.5 101.94 6.69 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.73 -1.123 . . . . 53.44 108.862 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.591 HD12 ' HB3' ' A' ' 55' ' ' LEU . 19.4 tt -131.84 151.89 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 108.901 -0.777 . . . . 75.42 108.901 -178.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -59.57 136.74 58.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 122.985 0.514 . . . . 74.23 111.11 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 18' ' ' LYS . 31.7 ttpt -56.97 -39.77 75.23 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.426 1.09 . . . . 74.01 111.224 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -52.34 -37.86 57.15 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.532 1.133 . . . . 75.41 111.567 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.468 HG23 HD13 ' A' ' 16' ' ' ILE . 32.6 mt -74.56 -42.12 48.77 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 114.555 -1.202 . . . . 74.33 109.903 -177.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -10.16 59.19 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.739 0.816 . . . . 74.33 112.499 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -73.36 -25.85 60.76 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.276 0.63 . . . . 71.04 111.529 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.483 ' SD ' ' ND1' ' A' ' 61' ' ' HIS . 46.0 mtm -69.84 -33.58 72.5 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.203 0.525 . . . . 73.42 110.097 175.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 t -69.25 108.18 3.55 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.744 -1.116 . . . . 65.21 108.303 168.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' ' 99' ' ' ASP . 65.5 t -59.44 -41.6 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.577 0.751 . . . . 75.11 110.476 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 m -65.09 -52.5 55.15 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.914 0.885 . . . . 74.42 112.28 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.405 HG13 HD22 ' A' ' 98' ' ' LEU . 83.0 mt -63.52 -42.73 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 109.979 -0.378 . . . . 72.23 109.979 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -60.38 -44.84 95.26 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.484 0.714 . . . . 74.25 110.8 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -67.8 -30.59 70.06 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.47 0.482 . . . . 70.24 111.473 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.6 mtt -66.84 -42.01 86.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.053 0.541 . . . . 74.3 110.627 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.9 mt -63.21 -47.97 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 123.525 0.73 . . . . 71.31 109.754 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.42 -36.06 82.93 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.884 0.873 . . . . 62.52 111.803 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.84 -43.05 80.44 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.793 0.837 . . . . 74.01 110.753 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.7 mt -70.55 -28.55 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-N 115.398 -0.819 . . . . 74.14 109.707 174.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.1 14.93 53.68 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 116.129 -0.487 . . . . 74.33 112.172 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 70.46 97.84 0.06 Allowed 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.733 1.613 . . . . 74.13 110.742 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.4 p -114.91 -177.95 3.25 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.133 0.973 . . . . 74.12 109.2 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -82.18 -11.29 58.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.189 0.596 . . . . 75.4 110.368 173.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -60.33 130.24 89.5 Favored Pre-proline 0 C--N 1.357 0.932 0 C-N-CA 123.976 0.91 . . . . 75.22 110.368 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.517 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.0 Cg_endo -68.86 160.03 51.4 Favored 'Trans proline' 0 C--N 1.365 1.434 0 C-N-CA 122.734 2.29 . . . . 62.02 111.609 175.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -107.98 94.04 11.98 Favored Pre-proline 0 CA--C 1.55 0.975 0 N-CA-C 107.769 -1.196 . . . . 73.44 107.769 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -71.82 128.41 14.14 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.592 2.195 . . . . 71.31 110.943 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.3 mt -109.4 83.81 2.69 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 124.06 0.944 . . . . 60.42 108.55 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -79.79 -3.13 12.64 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.585 2.19 . . . . 72.22 112.791 -172.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -78.96 -50.2 11.53 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.191 0.996 . . . . 73.45 109.672 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.18 137.1 22.22 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.369 0.668 . . . . 75.13 110.467 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -76.08 171.25 14.78 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.787 0.835 . . . . 74.01 111.04 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.546 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 67.5 p -70.49 -48.16 57.07 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.817 0.673 . . . . 65.1 112.817 -171.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.1 p -62.72 -38.96 92.51 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.277 0.631 . . . . 73.43 110.859 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.414 HG23 HD21 ' A' ' 91' ' ' LEU . 49.7 mm -73.54 -47.79 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.592 -0.731 . . . . 65.55 110.218 -178.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 44.0 tp -61.49 -34.19 75.06 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.899 0.749 . . . . 73.23 110.548 178.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.93 -53.63 56.24 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.458 0.703 . . . . 65.21 109.812 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -62.86 -40.51 97.71 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.544 -0.753 . . . . 72.33 111.349 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.446 ' HA ' HD13 ' A' ' 103' ' ' LEU . 56.0 t -57.77 -40.25 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.292 0.637 . . . . 75.02 110.225 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.591 ' HB3' HD12 ' A' ' 16' ' ' ILE . 71.0 mt -74.67 -31.62 61.97 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.166 -0.925 . . . . 75.02 111.954 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -70.8 -37.56 73.27 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.187 0.595 . . . . 75.15 111.918 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.452 ' HH ' HG23 ' A' ' 106' ' ' VAL . 60.9 t80 -67.18 -40.98 86.66 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 121.128 0.49 . . . . 74.32 109.993 173.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.636 ' SG ' HD11 ' A' ' 100' ' ' ILE . 99.1 m -64.71 -34.88 79.34 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.639 -0.71 . . . . 72.42 111.093 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -64.48 -41.09 96.69 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.39 0.676 . . . . 73.5 109.945 173.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -56.59 -39.17 73.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.648 0.779 . . . . 65.34 110.955 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.483 ' ND1' ' SD ' ' A' ' 23' ' ' MET . 58.6 t-80 -74.47 -29.24 61.37 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.607 0.567 . . . . 73.04 111.641 179.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -79.11 -27.72 42.92 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 122.151 -0.343 . . . . 62.43 110.842 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -80.53 -36.24 33.4 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.504 0.722 . . . . 74.04 110.222 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -137.22 92.05 14.1 Favored Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 124.6 1.16 . . . . 74.2 107.963 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.48 -37.54 96.94 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 123.27 2.647 . . . . 74.54 112.952 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.3 -92.89 0.59 Allowed Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.747 -0.66 . . . . 65.02 112.012 -177.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.46 -52.63 4.73 Favored Glycine 0 C--N 1.349 1.256 0 N-CA-C 112.228 -0.349 . . . . 72.05 112.228 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.4 p -79.6 177.25 9.02 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.174 0.99 . . . . 72.22 111.201 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.4 88.07 1.45 Allowed Glycine 0 C--N 1.341 0.845 0 N-CA-C 111.296 -0.721 . . . . 71.12 111.296 173.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.22 94.05 0.1 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.615 0.766 . . . . 73.43 109.751 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -79.99 72.31 6.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.79 0.805 . . . . 74.25 109.741 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -171.17 119.01 0.48 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 114.41 -1.268 . . . . 73.22 107.857 -177.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.0 mt -85.48 112.13 42.02 Favored Pre-proline 0 CA--C 1.547 0.862 0 N-CA-C 109.141 -0.688 . . . . 71.13 109.141 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -77.85 130.63 10.62 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.611 2.207 . . . . 74.43 110.955 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -48.55 -38.57 36.03 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 123.784 2.989 . . . . 71.44 114.055 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -58.31 -55.21 37.94 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.662 0.785 . . . . 72.24 111.58 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.27 -27.42 65.41 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.471 0.708 . . . . 75.0 111.441 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -66.91 -49.12 66.57 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.122 0.569 . . . . 74.54 110.451 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -67.54 -24.94 65.6 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.333 0.653 . . . . 65.13 111.694 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -63.15 -44.48 95.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.774 0.829 . . . . 72.13 110.494 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.7 m -74.78 -12.84 60.5 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.309 -0.86 . . . . 64.1 111.838 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -79.16 83.23 5.24 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 121.257 0.551 . . . . 72.35 109.995 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 m -132.42 169.51 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.604 1.161 . . . . 74.42 108.877 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -75.82 170.08 16.91 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.826 0.45 . . . . 74.43 110.046 -177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.412 ' OE1' ' HE1' ' A' ' 114' ' ' MET . 6.3 tp60 -61.29 -52.1 73.3 Favored Pre-proline 0 CA--C 1.562 1.409 0 N-CA-C 113.544 0.942 . . . . 74.31 113.544 -172.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 31.3 Cg_endo -60.43 -35.41 90.91 Favored 'Trans proline' 0 C--N 1.391 2.782 0 C-N-CA 121.716 1.611 . . . . 75.2 111.583 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.4 m -66.96 -32.15 73.21 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.374 1.07 . . . . 70.21 111.487 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.4 mt -60.4 -48.85 79.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.878 0.871 . . . . 75.41 110.12 172.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -66.16 -31.53 72.43 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 115.5 -0.773 . . . . 74.32 111.643 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 37.4 mm-40 -66.12 -37.84 86.71 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.12 0.568 . . . . 74.35 111.049 176.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.431 ' HB2' HG22 ' A' ' 107' ' ' THR . 95.7 mt -70.75 -34.77 72.19 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.148 0.579 . . . . 71.03 110.924 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.02 -48.54 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.357 0.663 . . . . 72.12 109.685 173.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.58 -44.21 94.74 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.754 0.822 . . . . 74.34 111.057 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.1 73.14 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.504 0.722 . . . . 72.12 111.773 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.461 ' HB3' HD21 ' A' ' 103' ' ' LEU . . . -68.4 -37.68 80.59 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.986 0.514 . . . . 71.42 111.258 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -69.65 -38.52 77.17 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.496 0.718 . . . . 75.04 110.781 175.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.66 -33.4 75.86 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.348 1.059 . . . . 75.34 111.187 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.405 HD22 HG13 ' A' ' 27' ' ' ILE . 85.7 mt -99.5 -5.54 29.11 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.319 0.648 . . . . 74.12 111.764 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.423 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 3.1 m-20 59.13 30.06 19.75 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.636 1.174 . . . . 73.11 112.05 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.636 HD11 ' SG ' ' A' ' 58' ' ' CYS . 66.1 mt -78.84 87.94 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.585 0 N-CA-C 108.176 -1.046 . . . . 74.12 108.176 173.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.04 -44.2 99.59 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 117.746 -1.121 . . . . 74.42 113.551 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -52.79 -52.94 7.71 Favored 'Trans proline' 0 C--N 1.392 2.849 0 C-N-CA 122.111 1.874 . . . . 65.44 113.447 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 95' ' ' ALA . 5.2 tt -65.49 -46.2 80.64 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.369 0.668 . . . . 65.34 110.364 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.858 HD23 HD23 ' B' ' 104' ' ' LEU . 57.2 tp -59.79 -41.42 91.14 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.997 0.919 . . . . 73.05 111.486 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.422 ' HA ' HD22 ' B' ' 96' ' ' ASN . 20.7 t70 -60.53 -50.67 72.62 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.19 0.996 . . . . 74.24 110.231 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.452 HG23 ' HH ' ' A' ' 57' ' ' TYR . 70.9 t -60.94 -50.69 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.374 -0.83 . . . . 63.54 111.362 -178.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 91' ' ' LEU . 25.3 m -70.68 -35.79 73.0 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 112.353 0.501 . . . . 70.32 112.353 -171.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.5 m -65.02 -35.37 80.96 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.734 0.414 . . . . 62.24 110.295 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -76.01 -31.39 58.9 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.121 0.569 . . . . 71.05 111.657 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -63.78 -47.2 81.88 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.326 0.65 . . . . 73.24 110.579 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.532 ' HA ' ' HE3' ' A' ' 114' ' ' MET . 33.0 m -65.44 -32.52 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 116.098 -0.501 . . . . 73.21 110.684 176.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.58 -26.96 62.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.408 0.683 . . . . 64.52 111.968 176.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.488 ' HA ' ' HB2' ' A' ' 116' ' ' ARG . 33.6 m-80 -70.55 -25.3 63.04 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.938 0.495 . . . . 75.24 111.781 177.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.532 ' HE3' ' HA ' ' A' ' 111' ' ' VAL . 54.4 mtm -71.83 -36.73 70.29 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.299 0.571 . . . . 74.14 110.966 177.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 43.2 pt -100.21 3.79 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.055 0.942 . . . . 75.13 111.467 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.488 ' HB2' ' HA ' ' A' ' 113' ' ' ASN . 63.8 ttt-85 -51.89 71.25 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 126.828 2.051 . . . . 72.13 114.734 -169.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 2.255 0 C-N-CA 124.943 1.259 . . . . 75.23 115.697 179.429 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.986 0.422 . . . . 73.54 110.543 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.8 mt -83.43 117.35 23.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.779 0.432 . . . . 75.34 110.579 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 26.1 m -85.16 131.27 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 108.746 -0.835 . . . . 61.05 108.746 168.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.454 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 87.0 mttt -103.09 125.6 49.88 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.11 -0.7 . . . . 74.54 109.11 -172.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -119.85 97.21 5.51 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.527 0.731 . . . . 74.42 109.707 -172.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.13 109.55 8.71 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.374 -0.602 . . . . 62.41 109.374 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 34.9 p -64.33 -175.17 0.15 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.987 0.915 . . . . 74.4 112.095 176.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -58.16 -29.92 65.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.788 0.835 . . . . 75.51 111.015 172.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . 0.557 ' HB2' ' HB3' ' B' ' 48' ' ' SER . 4.6 m-20 -89.46 9.62 25.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.272 1.029 . . . . 75.0 111.929 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 62.95 18.39 10.82 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.568 1.147 . . . . 64.15 112.907 175.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -77.86 121.39 24.05 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.754 -0.832 . . . . 75.41 108.754 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.06 95.58 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 O-C-N 124.18 0.925 . . . . 74.32 109.935 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -85.62 89.56 7.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.421 0.689 . . . . 73.0 110.509 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -78.42 100.33 6.77 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.616 -1.175 . . . . 75.23 109.079 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.575 HD12 ' HB3' ' B' ' 55' ' ' LEU . 19.6 tt -129.97 151.77 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 108.962 -0.755 . . . . 74.4 108.962 -178.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -59.68 136.65 58.06 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.153 0.581 . . . . 63.43 111.078 -178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -56.51 -39.76 73.85 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.37 1.068 . . . . 73.41 111.541 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.49 -38.79 60.25 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.493 1.117 . . . . 74.4 111.382 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.467 HG23 HD13 ' B' ' 16' ' ' ILE . 33.8 mt -73.24 -42.26 58.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-N 114.515 -1.221 . . . . 71.3 110.017 -177.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.16 -10.78 59.68 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 115.352 -0.84 . . . . 73.43 112.59 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 83.1 m -73.34 -25.17 60.51 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.1 0.56 . . . . 74.12 111.484 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' MET . . . . . 0.478 ' SD ' ' ND1' ' B' ' 61' ' ' HIS . 50.1 mtm -70.38 -33.34 71.29 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.281 0.562 . . . . 74.43 110.12 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.2 t -69.16 108.06 3.46 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.736 -1.12 . . . . 64.32 108.132 168.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.437 ' HB ' ' HB2' ' B' ' 99' ' ' ASP . 66.5 t -59.44 -41.07 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.578 0.751 . . . . 74.22 110.495 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 32.6 m -65.34 -52.74 51.84 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.711 0.804 . . . . 73.31 112.232 -176.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.46 -42.73 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 122.712 0.405 . . . . 72.11 109.949 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -60.29 -45.04 94.74 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.381 0.673 . . . . 70.13 110.68 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -66.57 -32.0 73.06 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.483 0.49 . . . . 75.02 111.816 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.5 mtt -66.54 -41.63 88.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.654 0.596 . . . . 70.21 110.457 175.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.03 -48.43 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 C-N-CA 123.364 0.666 . . . . 74.11 109.839 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.58 -35.58 81.45 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.915 0.886 . . . . 75.52 111.684 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.47 -43.45 80.97 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.164 0.986 . . . . 72.3 110.746 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -71.3 -27.35 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.283 -0.871 . . . . 65.32 109.91 174.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.16 18.43 49.99 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 116.021 -0.536 . . . . 65.02 112.078 -176.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 68.4 97.02 0.06 Allowed 'General case' 0 C--N 1.351 0.655 0 C-N-CA 125.717 1.607 . . . . 74.51 111.224 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 59.4 p -113.69 -178.78 3.46 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.452 1.101 . . . . 73.31 109.204 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -83.0 -11.5 58.06 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.969 -0.559 . . . . 75.34 110.378 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -60.23 132.69 90.31 Favored Pre-proline 0 C--N 1.358 0.935 0 C-N-CA 124.073 0.949 . . . . 72.44 110.557 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.454 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 60.9 Cg_endo -70.7 161.19 46.93 Favored 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 122.943 2.428 . . . . 73.13 111.74 176.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.65 93.54 12.25 Favored Pre-proline 0 CA--C 1.551 0.982 0 N-CA-C 107.635 -1.246 . . . . 72.22 107.635 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.83 127.17 12.69 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.564 2.176 . . . . 52.22 111.056 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.8 mt -108.39 84.28 2.27 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 124.055 0.942 . . . . 73.05 108.794 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -79.95 -3.18 12.61 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 122.564 2.176 . . . . 65.23 112.841 -173.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -78.1 -50.8 11.33 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.123 0.969 . . . . 71.44 109.414 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.25 136.83 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.533 0.733 . . . . 74.51 110.534 -176.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 70.6 p -75.83 171.45 14.37 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.774 0.83 . . . . 72.43 111.192 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.557 ' HB3' ' HB2' ' B' ' 10' ' ' ASP . 61.4 p -69.94 -48.5 58.19 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.236 0.614 . . . . 71.2 112.635 -171.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 55.1 p -63.24 -38.3 90.61 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.184 0.593 . . . . 75.24 110.958 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.407 HG23 HD21 ' B' ' 91' ' ' LEU . 50.7 mm -74.03 -47.66 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 115.398 -0.819 . . . . 74.23 110.092 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 44.5 tp -61.65 -33.95 74.85 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.964 0.79 . . . . 71.32 110.652 178.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.93 -53.86 53.68 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.399 0.68 . . . . 73.31 109.688 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -62.67 -40.59 97.55 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 123.909 0.756 . . . . 74.31 111.387 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.445 ' HA ' HD13 ' B' ' 103' ' ' LEU . 55.7 t -57.67 -40.37 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.219 0.608 . . . . 74.43 110.275 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.575 ' HB3' HD12 ' B' ' 16' ' ' ILE . 71.3 mt -74.48 -31.54 62.26 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.293 -0.867 . . . . 73.31 111.91 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -70.66 -37.62 73.71 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.222 0.609 . . . . 74.33 111.901 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . 0.462 ' HH ' HG23 ' B' ' 106' ' ' VAL . 59.8 t80 -67.41 -40.78 85.59 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.061 0.544 . . . . 73.22 110.025 173.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.639 ' SG ' HD11 ' B' ' 100' ' ' ILE . 98.3 m -64.8 -35.17 80.23 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.576 -0.738 . . . . 74.02 110.95 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.55 -40.79 96.23 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.417 0.687 . . . . 75.42 110.072 173.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -56.91 -39.23 74.06 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.54 0.736 . . . . 71.42 110.842 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.478 ' ND1' ' SD ' ' B' ' 23' ' ' MET . 57.0 t-80 -74.29 -29.94 61.86 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.979 -0.555 . . . . 72.24 111.565 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -78.27 -29.11 47.84 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 120.937 0.398 . . . . 75.01 111.033 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -78.5 -36.92 44.34 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.668 0.787 . . . . 74.3 110.376 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -137.36 92.64 13.42 Favored Pre-proline 0 CA--C 1.547 0.838 0 N-CA-C 108.05 -1.093 . . . . 75.02 108.05 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.83 -37.58 95.86 Favored 'Trans proline' 0 C--N 1.381 2.288 0 C-N-CA 123.304 2.67 . . . . 74.43 112.931 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.21 -91.77 0.47 Allowed Glycine 0 C--N 1.346 1.096 0 CA-C-N 115.51 -0.768 . . . . 73.45 112.117 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.23 -51.97 4.64 Favored Glycine 0 C--N 1.35 1.331 0 N-CA-C 112.166 -0.374 . . . . 62.52 112.166 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 51.3 p -79.84 178.59 8.09 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 124.112 0.965 . . . . 62.33 111.102 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.73 86.68 1.51 Allowed Glycine 0 C--N 1.342 0.894 0 N-CA-C 111.45 -0.66 . . . . 72.14 111.45 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.03 94.38 0.07 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.829 0.852 . . . . 75.25 109.868 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -80.83 72.22 7.8 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.833 0.825 . . . . 71.03 109.232 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -171.67 116.89 0.4 Allowed 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.294 -1.321 . . . . 73.22 108.065 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 69.3 mt -84.85 111.56 36.29 Favored Pre-proline 0 N--CA 1.476 0.839 0 N-CA-C 108.981 -0.748 . . . . 75.04 108.981 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -77.36 130.66 11.11 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.56 2.174 . . . . 72.42 111.108 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -48.57 -39.42 37.17 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 123.782 2.988 . . . . 74.53 113.713 176.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -58.0 -54.83 42.51 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.718 0.807 . . . . 74.01 111.645 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.75 -27.6 66.06 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.372 0.669 . . . . 72.21 111.549 -175.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 52.1 ttt-85 -67.14 -49.54 64.45 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.024 0.53 . . . . 73.32 110.213 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.72 -24.0 65.33 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.527 0.731 . . . . 74.14 111.442 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.92 -45.5 88.98 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.736 0.815 . . . . 75.32 110.398 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.51 -13.17 61.0 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.179 -0.919 . . . . 73.42 111.719 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -78.5 83.4 4.7 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 121.143 0.496 . . . . 73.44 110.123 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.62 169.9 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.517 1.127 . . . . 74.42 109.014 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -76.77 170.05 17.17 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.003 0.521 . . . . 65.14 109.905 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.413 ' OE1' ' HE1' ' B' ' 114' ' ' MET . 6.9 tp60 -60.83 -52.7 70.52 Favored Pre-proline 0 N--CA 1.488 1.443 0 N-CA-C 113.617 0.969 . . . . 75.01 113.617 -172.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . 0.409 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 31.1 Cg_endo -60.34 -35.74 90.1 Favored 'Trans proline' 0 C--N 1.389 2.691 0 C-N-CA 121.887 1.725 . . . . 74.31 111.624 175.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 16.1 m -67.07 -31.93 72.76 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.329 1.052 . . . . 73.24 111.42 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.95 -49.21 78.57 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.982 0.913 . . . . 73.24 109.989 172.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -66.17 -31.5 72.37 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 115.588 -0.733 . . . . 74.1 111.76 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 33.6 mm-40 -66.4 -37.29 84.9 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.509 0.506 . . . . 62.02 110.925 176.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.426 ' HB2' HG22 ' B' ' 107' ' ' THR . 95.6 mt -70.87 -34.75 71.94 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.19 0.596 . . . . 73.54 110.787 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.99 -48.41 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.354 0.662 . . . . 72.33 109.811 173.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.65 -44.52 93.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.864 0.866 . . . . 74.11 111.039 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.57 -43.85 75.67 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.932 0.77 . . . . 65.11 111.695 -176.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.46 ' HB3' HD21 ' B' ' 103' ' ' LEU . . . -68.99 -37.71 78.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.1 -0.5 . . . . 63.42 111.419 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . 0.422 HD22 ' HA ' ' A' ' 105' ' ' ASP . 62.8 t30 -70.11 -37.59 75.4 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.535 0.734 . . . . 74.45 111.168 175.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.36 -32.33 73.92 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.351 1.06 . . . . 74.32 111.076 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.423 HD12 HG11 ' B' ' 54' ' ' VAL . 85.4 mt -100.65 -5.24 26.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.115 0.566 . . . . 74.33 111.914 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . 0.437 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 3.2 m-20 59.27 29.28 18.82 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.683 1.193 . . . . 73.45 112.169 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.639 HD11 ' SG ' ' B' ' 58' ' ' CYS . 65.7 mt -78.3 87.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.444 0 N-CA-C 108.24 -1.022 . . . . 75.33 108.24 173.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -55.51 -44.9 99.89 Favored Pre-proline 0 CA--C 1.562 1.405 0 CA-C-O 117.575 -1.202 . . . . 74.03 113.403 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.59 -52.72 8.24 Favored 'Trans proline' 0 C--N 1.393 2.92 0 C-N-CA 122.2 1.933 . . . . 74.42 113.639 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.46 HD21 ' HB3' ' B' ' 95' ' ' ALA . 5.3 tt -65.61 -46.61 78.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.358 0.663 . . . . 73.12 110.414 -177.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . 0.858 HD23 HD23 ' A' ' 104' ' ' LEU . 56.2 tp -59.5 -41.56 90.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.97 0.908 . . . . 74.31 111.56 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.54 -49.91 75.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.118 0.967 . . . . 74.54 110.348 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.462 HG23 ' HH ' ' B' ' 57' ' ' TYR . 72.5 t -61.49 -50.72 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.38 -0.827 . . . . 72.21 111.53 -178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.426 HG22 ' HB2' ' B' ' 91' ' ' LEU . 26.0 m -70.63 -35.72 73.08 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.901 0.48 . . . . 64.42 112.205 -171.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 70.8 m -65.11 -34.69 78.99 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.793 0.437 . . . . 71.22 110.586 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -76.49 -31.79 57.94 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.18 0.592 . . . . 73.04 111.695 174.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 97.1 m -63.28 -47.52 81.97 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.332 0.653 . . . . 74.14 110.355 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.548 ' HA ' ' HE3' ' B' ' 114' ' ' MET . 33.6 m -65.66 -32.67 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 CA-C-N 115.916 -0.584 . . . . 72.23 110.75 176.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.64 -26.88 62.73 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.433 0.693 . . . . 74.53 111.677 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -70.85 -25.17 62.7 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.961 0.504 . . . . 74.54 111.836 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.548 ' HE3' ' HA ' ' B' ' 111' ' ' VAL . 54.3 mtm -71.3 -36.6 71.69 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.203 0.525 . . . . 75.21 110.626 178.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.7 pt -102.17 5.18 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 C-N-CA 124.545 1.138 . . . . 74.44 112.112 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 -39.9 -17.66 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 118.058 2.614 . . . . 75.42 118.058 -162.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 117.961 1.945 . . . . 73.01 117.961 174.438 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.952 0.406 . . . . 71.04 111.379 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.34 118.14 11.04 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.594 0.758 . . . . 74.41 110.431 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.6 m -79.31 127.02 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 121.612 0.72 . . . . 73.45 109.57 174.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.51 ' HB3' HG11 ' A' ' 13' ' ' VAL . 90.9 mttt -88.74 113.69 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.071 -0.968 . . . . 75.21 109.469 -172.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.593 HD12 HD12 ' A' ' 27' ' ' ILE . 62.6 mt -115.63 103.73 11.0 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.656 -0.868 . . . . 73.32 108.656 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.652 ' HB2' ' HB3' ' A' ' 42' ' ' PRO . 6.1 mp0 -76.72 150.35 36.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.219 0.533 . . . . 74.12 110.028 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.5 p -89.39 -174.39 4.36 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.7 0.8 . . . . 73.22 111.22 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.6 t -57.91 -33.02 68.31 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.565 0.746 . . . . 72.35 110.295 167.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.61 1.73 40.8 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.433 1.093 . . . . 62.1 111.908 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 64.91 20.86 12.23 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.816 1.247 . . . . 73.25 112.22 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -80.1 123.57 27.99 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.343 -0.614 . . . . 74.41 109.343 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.51 HG11 ' HB3' ' A' ' 5' ' ' LYS . 96.5 t -75.89 103.74 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.466 1.106 . . . . 75.44 110.92 -172.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -94.76 94.01 7.84 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.352 -0.61 . . . . 75.14 109.352 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 33.6 mt-10 -74.41 79.74 1.89 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.049 -0.978 . . . . 73.23 108.709 178.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 tp -91.36 146.71 5.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.15 -0.932 . . . . 71.44 108.864 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.58 135.1 55.63 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 108.633 -0.877 . . . . 74.33 108.633 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -61.64 -35.33 77.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.593 0.757 . . . . 75.44 112.768 -166.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -72.53 -26.92 61.94 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.867 0.467 . . . . 74.33 110.759 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mt -73.25 -35.66 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-O 121.158 0.504 . . . . 72.11 109.729 172.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -25.18 63.64 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.216 0.607 . . . . 62.31 110.83 173.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 78.3 m -75.82 -28.31 58.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.273 0.629 . . . . 70.21 111.35 173.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.8 mtp -61.81 -33.11 73.55 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.407 0.622 . . . . 73.03 109.945 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.508 ' HA ' HG12 ' A' ' 100' ' ' ILE . 37.6 t -73.72 104.2 4.56 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.924 -1.139 . . . . 72.43 107.924 164.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.52 -38.23 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 122.547 0.339 . . . . 73.23 111.571 -171.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.4 m -61.05 -48.66 80.71 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.943 0.497 . . . . 74.21 111.481 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.593 HD12 HD12 ' A' ' 6' ' ' LEU . 75.3 mt -66.18 -39.26 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 122.714 0.406 . . . . 75.22 110.042 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 22.7 ttpp -57.04 -46.72 82.2 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.966 0.906 . . . . 75.31 110.812 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.42 -43.66 98.49 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.119 0.887 . . . . 74.14 110.323 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.6 mtt -58.96 -46.06 89.0 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.988 0.805 . . . . 74.32 110.649 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.55 -46.82 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.802 0.841 . . . . 75.12 110.163 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.89 -40.46 97.6 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.525 0.73 . . . . 65.32 111.876 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -64.23 -44.05 93.05 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.9 0.48 . . . . 75.02 111.014 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.95 -28.58 33.93 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.517 -0.765 . . . . 63.32 110.488 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.67 24.28 16.18 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 116.476 -0.329 . . . . 71.2 112.446 -177.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 67.44 92.07 0.08 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.808 1.643 . . . . 74.34 111.06 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.6 p -108.43 163.17 13.45 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.503 0.721 . . . . 54.11 111.006 -177.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -18.97 51.89 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.859 0.864 . . . . 54.33 110.394 173.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.0 p -57.42 125.83 72.89 Favored Pre-proline 0 CA--C 1.551 1.001 0 O-C-N 124.226 0.954 . . . . 75.03 111.784 -175.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.7 Cg_endo -69.54 135.18 30.3 Favored 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 122.51 2.14 . . . . 72.43 111.528 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.8 mm -107.43 97.45 19.4 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 122.972 0.509 . . . . 72.55 109.647 -175.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.652 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 74.4 Cg_endo -75.38 131.42 13.85 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 122.386 2.057 . . . . 72.33 111.911 175.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.516 HD13 ' HH ' ' A' ' 97' ' ' TYR . 2.4 mm? -102.03 96.33 6.71 Favored Pre-proline 0 CA--C 1.553 1.061 0 N-CA-C 108.409 -0.96 . . . . 75.01 108.409 172.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -76.22 -9.47 19.08 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 122.83 2.353 . . . . 63.05 113.425 -174.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -70.61 -52.22 22.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.713 0.805 . . . . 63.24 110.501 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -89.99 135.68 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 115.593 -0.73 . . . . 74.21 110.056 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.7 p -78.91 172.66 13.47 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.363 0.665 . . . . 73.4 111.092 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.3 p -65.22 -48.28 73.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.496 0.718 . . . . 72.3 112.356 -173.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.5 m -63.7 -45.37 90.32 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.788 0.68 . . . . 70.32 111.266 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.2 mm -70.48 -44.23 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 122.457 0.303 . . . . 71.51 110.229 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.9 -40.49 95.64 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.046 0.539 . . . . 75.44 110.34 178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.99 -49.84 76.35 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 123.839 0.712 . . . . 62.44 110.417 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -66.98 -42.31 85.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 124.34 1.025 . . . . 74.13 111.919 -176.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.37 -38.45 80.83 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 N-CA-C 109.889 -0.411 . . . . 73.34 109.889 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.73 -30.16 65.31 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.856 0.462 . . . . 72.2 111.084 173.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -71.12 -35.98 71.96 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.71 0.804 . . . . 63.31 109.772 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -68.22 -43.34 78.18 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 115.696 -0.684 . . . . 71.42 109.789 170.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.642 ' SG ' HD11 ' A' ' 100' ' ' ILE . 78.3 m -61.87 -31.26 71.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 122.363 0.265 . . . . 72.53 111.001 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 24.5 mtp180 -66.02 -49.3 68.21 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.902 0.881 . . . . 74.25 109.792 171.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -54.4 -46.63 73.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.483 1.113 . . . . 73.12 111.812 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -80.26 -15.62 56.54 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.627 0.771 . . . . 75.51 111.011 -176.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -79.61 -47.23 15.79 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.438 0.695 . . . . 74.13 110.01 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 16.2 mm100 -72.29 -30.45 64.82 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.342 -0.845 . . . . 72.41 110.155 -178.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -135.05 99.79 12.15 Favored Pre-proline 0 CA--C 1.538 0.516 0 C-N-CA 124.059 0.944 . . . . 75.11 108.929 175.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -48.81 -36.91 34.77 Favored 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.884 2.389 . . . . 71.51 112.289 169.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -110.89 -115.56 3.59 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-N 114.463 -1.244 . . . . 71.11 110.209 170.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.91 18.46 40.13 Favored Glycine 0 CA--C 1.545 1.917 0 CA-C-O 119.975 -0.347 . . . . 71.11 113.228 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.534 ' O ' ' HB3' ' A' ' 72' ' ' ASP . 22.4 m -169.67 146.42 3.28 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 125.802 1.641 . . . . 65.13 111.514 -164.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.748 ' HA3' ' HB3' ' A' ' 72' ' ' ASP . . . 169.8 -113.07 0.5 Allowed Glycine 1 N--CA 1.526 4.699 0 N-CA-C 118.998 2.359 . . . . 63.54 118.998 -173.251 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.569 ' H ' ' N ' ' A' ' 72' ' ' ASP . 23.1 tp 175.37 -36.31 0.01 OUTLIER 'General case' 0 N--CA 1.525 3.322 0 C-N-CA 130.886 3.674 . . . . 71.35 105.474 169.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -78.03 11.3 2.33 Favored 'General case' 0 CA--C 1.566 1.594 0 CA-C-N 111.639 -2.528 . . . . 61.42 108.651 144.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.748 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -172.52 -6.26 0.01 OUTLIER 'General case' 1 CA--C 1.665 5.391 0 CA-C-O 116.641 -1.647 . . . . 72.41 112.085 -170.702 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.524 ' HA ' ' H ' ' A' ' 69' ' ' GLY . 2.2 mt -38.23 136.13 0.84 Allowed Pre-proline 2 N--CA 1.603 7.199 0 CA-C-N 123.069 2.668 . . . . 74.44 113.338 -161.661 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -95.64 141.72 1.05 Allowed 'Trans proline' 0 C--N 1.396 3.05 0 C-N-CA 121.483 1.456 . . . . 72.32 111.992 169.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.68 -22.52 64.23 Favored 'Trans proline' 0 CA--C 1.551 1.347 0 C-N-CA 122.239 1.959 . . . . 74.3 111.732 169.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -56.78 -54.22 48.82 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.529 1.531 . . . . 74.32 111.394 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -71.38 -22.86 61.83 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.216 -0.902 . . . . 50.54 112.056 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -60.72 -41.56 95.53 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 109.977 -0.379 . . . . 74.11 109.977 173.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.78 -38.73 87.14 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 123.689 0.618 . . . . 73.43 110.873 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.504 ' CZ ' HD21 ' A' ' 103' ' ' LEU . 61.0 t80 -59.26 -41.15 88.13 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.577 0.751 . . . . 73.34 110.818 175.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.97 -2.53 21.39 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.84 0.856 . . . . 74.51 112.603 -174.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -77.17 83.71 3.65 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 121.734 0.778 . . . . 75.24 109.505 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.505 HG12 HD13 ' A' ' 91' ' ' LEU . 15.9 m -134.11 162.04 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.021 1.328 . . . . 75.23 109.216 -177.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.49 172.62 10.85 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.237 -1.023 . . . . 75.1 108.237 169.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.421 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 23.1 tp60 -61.81 -49.84 84.21 Favored Pre-proline 0 CA--C 1.568 1.666 0 CA-C-O 118.303 -0.856 . . . . 74.31 112.446 -175.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.421 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 49.3 Cg_exo -58.71 -41.1 66.93 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 122.064 1.843 . . . . 73.1 112.584 173.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.9 m -65.43 -30.24 71.01 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.083 0.953 . . . . 72.5 111.567 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.03 -44.96 87.4 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.008 0.923 . . . . 75.23 108.941 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.467 ' HE1' ' HE1' ' B' ' 89' ' ' PHE . 35.3 m-85 -68.23 -30.61 69.72 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.529 -0.76 . . . . 73.22 111.549 177.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -60.02 -35.88 76.02 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.016 0.526 . . . . 71.32 111.367 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.505 HD13 HG12 ' A' ' 83' ' ' VAL . 82.9 mt -67.73 -39.04 84.31 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.427 0.691 . . . . 72.44 110.5 176.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.7 -42.81 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.631 0.772 . . . . 73.54 110.301 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.22 -43.15 87.52 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.135 0.974 . . . . 73.21 110.673 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.66 -37.26 70.82 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.613 0.765 . . . . 70.22 111.448 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.494 ' HB3' HD11 ' A' ' 103' ' ' LEU . . . -72.61 -32.54 66.02 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.833 0.453 . . . . 72.34 111.568 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -75.37 -37.8 60.4 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.253 0.621 . . . . 75.22 110.022 175.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.516 ' HH ' HD13 ' A' ' 43' ' ' LEU . 54.9 t80 -66.57 -46.69 75.18 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.812 0.845 . . . . 61.45 111.125 179.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.419 HD23 HD11 ' A' ' 27' ' ' ILE . 98.8 mt -89.26 -7.41 55.51 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.686 0.794 . . . . 64.41 111.567 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.8 t0 61.5 34.12 18.16 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.673 1.189 . . . . 72.25 110.991 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.642 HD11 ' SG ' ' A' ' 58' ' ' CYS . 36.8 mt -87.61 80.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.429 0 N-CA-C 108.254 -1.017 . . . . 74.23 108.254 174.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.5 -37.12 38.24 Favored Pre-proline 0 CA--C 1.554 1.099 0 CA-C-N 114.212 -1.358 . . . . 73.43 113.518 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -46.96 -42.54 25.35 Favored 'Trans proline' 0 C--N 1.397 3.101 0 C-N-CA 121.866 1.711 . . . . 61.14 113.091 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.504 HD21 ' CZ ' ' A' ' 80' ' ' PHE . 2.2 tm? -79.62 -43.64 22.5 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.987 -0.375 . . . . 75.43 109.987 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.2 tp -55.65 -44.58 77.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.064 0.946 . . . . 72.11 111.269 -177.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -70.28 -42.74 71.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.058 0.849 . . . . 73.01 111.04 -175.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.0 t -61.05 -42.17 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.084 0.554 . . . . 73.24 110.578 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -71.77 -30.49 65.62 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.558 0.743 . . . . 74.01 110.88 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.432 ' HB3' HD23 ' B' ' 93' ' ' LEU . 89.8 m -69.92 -33.64 72.44 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.499 0.72 . . . . 62.45 110.287 173.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -71.56 -32.99 68.71 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.701 0.4 . . . . 74.05 110.472 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 83.8 m -60.52 -46.85 88.62 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.073 0.549 . . . . 74.01 110.691 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.426 ' HA ' ' HE1' ' A' ' 114' ' ' MET . 27.8 m -72.77 -36.41 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.622 0.369 . . . . 74.11 111.419 177.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 116' ' ' ARG . . . -63.68 -42.68 97.99 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.269 0.627 . . . . 73.01 111.585 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -63.4 -34.52 77.92 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.541 0.737 . . . . 60.43 111.791 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.426 ' HE1' ' HA ' ' A' ' 111' ' ' VAL . 59.4 mtm -78.78 -20.79 49.02 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.993 0.517 . . . . 73.34 111.867 -176.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.413 HG21 ' HD2' ' B' ' 89' ' ' PHE . 41.0 pt -101.33 -1.06 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 112.346 0.498 . . . . 74.15 112.346 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 112' ' ' ALA . 64.3 mtp180 -64.28 93.59 0.1 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.657 0.383 . . . . 73.43 110.182 175.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 CA-C-O 119.377 -0.68 . . . . 71.1 112.102 178.02 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.5 p . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.88 0.371 . . . . 63.44 110.947 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.36 118.18 11.92 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.902 0.881 . . . . 71.23 110.247 178.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 19.3 m -80.4 127.24 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-O 121.632 0.729 . . . . 74.15 109.531 174.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.504 ' HB3' HG11 ' B' ' 13' ' ' VAL . 90.1 mttt -88.5 113.73 24.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.979 -1.01 . . . . 65.05 109.496 -172.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.586 HD12 HD12 ' B' ' 27' ' ' ILE . 63.2 mt -115.54 103.57 10.87 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.493 -0.929 . . . . 64.43 108.493 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.633 ' HB2' ' HB3' ' B' ' 42' ' ' PRO . 5.7 mp0 -76.12 150.15 37.26 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.229 0.538 . . . . 72.03 110.001 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 25.6 p -89.57 -174.16 4.23 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.727 0.811 . . . . 74.31 111.242 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.5 t -58.57 -32.48 68.97 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.677 -0.692 . . . . 64.05 110.493 167.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -83.9 2.22 39.61 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.236 1.015 . . . . 74.23 111.553 177.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 65.23 19.36 11.7 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.996 1.318 . . . . 75.44 112.299 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -79.08 123.25 27.16 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 109.187 -0.671 . . . . 74.24 109.187 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.504 HG11 ' HB3' ' B' ' 5' ' ' LYS . 90.9 t -75.16 105.38 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.521 1.128 . . . . 75.43 110.697 -173.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -96.05 94.64 7.68 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.424 -0.584 . . . . 75.53 109.424 175.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.462 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 33.9 mt-10 -74.72 77.97 2.05 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.24 -0.891 . . . . 74.11 109.136 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.7 tp -89.85 146.69 5.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.436 -0.802 . . . . 73.43 109.115 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -64.83 135.91 56.29 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.664 -0.865 . . . . 64.41 108.664 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -62.41 -34.71 77.29 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.811 0.671 . . . . 74.03 112.811 -165.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -72.1 -27.8 62.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.788 0.435 . . . . 70.11 110.805 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 30.1 mt -72.97 -35.67 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 109.663 -0.495 . . . . 73.4 109.663 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.79 -25.4 63.77 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.14 0.576 . . . . 72.11 110.843 173.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' CYS . . . . . 0.474 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 78.1 m -75.58 -27.87 58.72 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.26 0.624 . . . . 70.41 111.253 173.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 87.4 mtp -62.6 -33.21 74.52 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.316 0.579 . . . . 75.34 109.795 173.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.506 ' HA ' HG12 ' B' ' 100' ' ' ILE . 37.4 t -73.73 104.35 4.61 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 107.878 -1.156 . . . . 62.42 107.878 164.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.38 -38.38 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.617 0.367 . . . . 65.23 111.722 -171.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 99.5 m -61.46 -48.48 80.95 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.032 0.533 . . . . 72.23 111.43 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.586 HD12 HD12 ' B' ' 6' ' ' LEU . 75.5 mt -65.77 -39.39 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 122.755 0.422 . . . . 73.35 109.899 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.474 ' HB2' ' HA ' ' B' ' 22' ' ' CYS . 22.2 ttpp -57.36 -46.51 83.27 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.907 0.883 . . . . 74.52 110.767 176.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -61.94 -42.56 99.25 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 123.951 0.782 . . . . 64.43 110.516 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 65.3 mtt -59.13 -46.59 87.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.622 0.769 . . . . 75.43 110.692 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 88.7 mt -57.66 -47.08 86.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 123.901 0.88 . . . . 74.54 110.134 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.85 -41.04 99.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.572 0.749 . . . . 72.13 111.781 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -64.31 -43.55 94.35 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.033 0.533 . . . . 73.53 111.027 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.16 -28.64 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 115.818 -0.628 . . . . 74.43 110.66 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.21 29.53 10.2 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 112.04 -0.424 . . . . 62.12 112.04 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 62.91 91.08 0.07 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.63 1.572 . . . . 75.0 111.065 177.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 33.7 p -106.96 165.06 11.62 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.594 0.758 . . . . 75.13 110.602 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -17.34 50.64 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.721 -0.672 . . . . 72.33 109.799 174.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 79.5 p -57.56 125.58 72.64 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 123.641 0.776 . . . . 64.21 111.867 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.452 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 59.1 Cg_endo -69.19 134.68 29.81 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.504 2.136 . . . . 74.43 111.247 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mm -107.28 97.72 19.95 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.108 0.563 . . . . 73.44 109.581 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . 0.633 ' HB3' ' HB2' ' B' ' 7' ' ' GLU . 73.3 Cg_endo -76.16 129.84 11.65 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.489 2.126 . . . . 75.21 112.117 176.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.515 HD13 ' HH ' ' B' ' 97' ' ' TYR . 2.3 mm? -100.54 96.57 5.46 Favored Pre-proline 0 CA--C 1.554 1.1 0 N-CA-C 108.466 -0.939 . . . . 74.5 108.466 172.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -76.43 -9.72 18.83 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.93 2.42 . . . . 73.32 113.464 -175.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -70.1 -52.57 22.75 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.796 0.838 . . . . 74.4 110.43 176.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -89.85 136.05 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-N 115.599 -0.728 . . . . 73.52 110.079 -174.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 45.8 p -78.93 173.4 12.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.49 0.716 . . . . 74.34 111.041 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 53.4 p -66.22 -47.78 72.73 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.317 0.647 . . . . 72.13 112.285 -173.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 89.8 m -63.95 -45.8 87.54 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 123.781 0.676 . . . . 72.34 111.324 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 51.3 mm -69.91 -44.25 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 110.212 -0.292 . . . . 74.31 110.212 -177.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.9 -40.26 94.84 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.995 0.518 . . . . 74.43 110.434 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.33 -50.23 74.79 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 123.899 0.749 . . . . 73.33 110.251 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -66.04 -42.65 89.27 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 124.36 1.037 . . . . 75.35 111.732 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.49 -38.96 81.58 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 122.791 0.436 . . . . 73.32 110.092 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 83.6 mt -71.02 -30.12 66.24 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.956 0.502 . . . . 74.25 111.207 173.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -71.46 -36.32 71.17 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.807 0.843 . . . . 64.04 109.747 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.88 -42.98 80.41 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 115.666 -0.697 . . . . 75.43 109.647 170.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.628 ' SG ' HD11 ' B' ' 100' ' ' ILE . 74.7 m -62.27 -31.21 71.76 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 122.308 0.243 . . . . 55.03 111.017 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -65.99 -48.88 69.74 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.763 0.825 . . . . 75.33 109.725 171.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . 0.406 ' HE2' ' HG3' ' B' ' 74' ' ' PRO . 71.5 t60 -54.61 -46.8 73.91 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.629 1.172 . . . . 73.55 111.806 178.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -80.24 -15.48 56.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.734 0.814 . . . . 75.52 111.088 -176.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 t60 -79.7 -47.04 15.99 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.508 0.723 . . . . 71.33 110.213 177.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -72.22 -30.29 64.77 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.218 -0.901 . . . . 65.24 110.042 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -136.23 100.29 10.61 Favored Pre-proline 0 CA--C 1.535 0.399 0 C-N-CA 124.08 0.952 . . . . 72.02 108.556 175.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -48.91 -36.21 33.62 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 123.157 2.572 . . . . 74.22 112.222 169.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.75 -107.62 2.87 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.8 -1.32 . . . . 75.13 109.8 168.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.02 25.94 66.76 Favored Glycine 0 N--CA 1.478 1.48 0 CA-C-O 121.998 0.777 . . . . 73.23 113.667 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.498 ' HB3' ' HD3' ' B' ' 74' ' ' PRO . 64.4 m -135.38 164.03 28.69 Favored 'General case' 0 CA--C 1.587 2.379 0 N-CA-C 105.254 -2.128 . . . . 72.31 105.254 -177.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.831 ' HA2' ' HA ' ' B' ' 72' ' ' ASP . . . -163.8 98.26 0.15 Allowed Glycine 2 CA--C 1.622 6.757 0 N-CA-C 119.963 2.745 . . . . 63.14 119.963 -172.585 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.735 ' N ' ' H ' ' B' ' 73' ' ' ILE . 65.2 tp -104.79 -64.65 1.1 Allowed 'General case' 0 C--N 1.381 1.956 1 N-CA-C 99.983 -4.08 . . . . 73.31 99.983 156.749 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -96.41 -25.3 15.76 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 105.285 -2.117 . . . . 63.03 105.285 131.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . 0.831 ' HA ' ' HA2' ' B' ' 69' ' ' GLY 0.383 0.2 OUTLIER -148.99 37.23 0.78 Allowed 'General case' 1 CA--C 1.713 7.232 0 N-CA-C 118.549 2.796 . . . . 55.12 118.549 175.849 . . . . . . . . 5 4 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.735 ' H ' ' N ' ' B' ' 70' ' ' LEU . 22.8 mt -73.46 122.75 88.39 Favored Pre-proline 2 N--CA 1.609 7.488 1 C-N-CA 131.833 4.053 . . . . 72.2 118.658 154.128 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' PRO . . . . . 0.498 ' HD3' ' HB3' ' B' ' 68' ' ' SER . 66.2 Cg_endo -94.26 153.89 2.08 Favored 'Trans proline' 0 CA--C 1.563 1.943 0 C-N-CA 123.414 2.743 . . . . 72.34 112.375 167.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.51 -23.36 57.68 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 121.887 1.725 . . . . 73.54 111.71 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -56.47 -53.69 54.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.696 1.598 . . . . 75.53 111.381 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -71.57 -22.38 61.75 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.17 -0.923 . . . . 74.21 112.29 -175.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -60.43 -41.01 93.12 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.554 0.342 . . . . 73.04 110.231 173.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.27 -37.25 80.51 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.772 -0.649 . . . . 62.11 110.924 174.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' PHE . . . . . 0.495 ' CZ ' HD21 ' B' ' 103' ' ' LEU . 61.1 t80 -60.1 -40.71 90.6 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.382 0.673 . . . . 74.52 110.666 175.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 72.5 m -73.7 -2.3 22.68 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.943 0.897 . . . . 75.55 112.655 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -76.93 82.78 3.47 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 121.875 0.845 . . . . 65.33 109.489 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.528 HG12 HD13 ' B' ' 91' ' ' LEU . 16.1 m -132.96 161.76 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.992 1.317 . . . . 74.23 109.439 -178.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -85.71 171.54 11.53 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.117 -1.068 . . . . 64.12 108.117 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . 0.418 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 22.8 tp60 -60.64 -49.96 87.44 Favored Pre-proline 0 CA--C 1.568 1.666 0 CA-C-O 118.362 -0.828 . . . . 75.32 112.604 -176.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' PRO . . . . . 0.418 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 48.6 Cg_exo -59.15 -41.74 57.41 Favored 'Trans proline' 0 C--N 1.388 2.645 0 C-N-CA 121.934 1.756 . . . . 61.43 112.671 173.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 11.6 m -64.17 -30.39 71.45 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.969 0.908 . . . . 70.11 111.473 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.87 -45.59 85.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.096 0.958 . . . . 72.43 109.087 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.467 ' HE1' ' HE1' ' A' ' 89' ' ' PHE . 39.2 m-85 -68.9 -30.22 68.66 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.478 -0.783 . . . . 74.14 111.417 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.65 -35.43 74.4 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.917 0.487 . . . . 74.54 111.417 175.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.528 HD13 HG12 ' B' ' 83' ' ' VAL . 84.0 mt -67.64 -39.3 84.64 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.35 0.66 . . . . 64.15 110.535 175.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . 0.403 HD11 ' HD1' ' B' ' 89' ' ' PHE . 59.3 mt -65.51 -42.79 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.565 0.746 . . . . 72.31 110.287 176.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 108' ' ' CYS . 95.3 mt -66.12 -43.21 87.79 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.151 0.981 . . . . 75.53 110.667 -178.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.62 -37.78 70.86 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.695 0.798 . . . . 73.33 111.318 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.489 ' HB3' HD11 ' B' ' 103' ' ' LEU . . . -72.1 -32.23 66.79 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.907 0.483 . . . . 74.14 111.518 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -75.88 -38.33 57.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.147 0.579 . . . . 71.0 109.925 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' TYR . . . . . 0.515 ' HH ' HD13 ' B' ' 43' ' ' LEU . 55.5 t80 -65.71 -47.52 75.08 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.082 0.953 . . . . 75.13 111.111 179.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.42 HD23 HD11 ' B' ' 27' ' ' ILE . 99.2 mt -88.62 -7.99 55.43 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.922 0.889 . . . . 73.51 111.608 -177.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 36.8 t0 61.66 34.57 17.5 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.833 1.253 . . . . 74.24 111.055 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.628 HD11 ' SG ' ' B' ' 58' ' ' CYS . 37.1 mt -87.69 80.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.412 0 N-CA-C 108.06 -1.089 . . . . 73.42 108.06 174.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.55 -37.15 38.25 Favored Pre-proline 0 CA--C 1.553 1.062 0 CA-C-N 114.129 -1.396 . . . . 72.11 113.414 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -46.71 -42.93 23.97 Favored 'Trans proline' 0 C--N 1.397 3.095 0 C-N-CA 121.948 1.766 . . . . 75.01 113.133 169.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . 0.495 HD21 ' CZ ' ' B' ' 80' ' ' PHE . 2.2 tm? -79.41 -43.87 22.53 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.672 0.389 . . . . 71.15 109.998 -179.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 60.9 tp -55.19 -44.77 75.58 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.172 0.989 . . . . 73.13 111.19 -177.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -70.59 -42.93 70.38 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.024 0.828 . . . . 63.04 110.904 -175.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.74 -42.21 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 123.081 0.552 . . . . 74.51 110.595 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.8 m -71.55 -30.52 65.98 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.59 0.756 . . . . 75.14 110.981 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.6 m -70.25 -32.51 70.38 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.369 0.668 . . . . 65.3 110.506 173.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -72.47 -32.69 66.45 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.739 0.415 . . . . 72.31 110.336 173.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.1 m -60.75 -46.4 90.58 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.017 0.527 . . . . 75.35 110.797 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.43 ' HA ' ' HE1' ' B' ' 114' ' ' MET . 27.4 m -73.27 -36.57 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 116.231 -0.44 . . . . 51.13 111.401 177.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 116' ' ' ARG . . . -63.02 -43.53 98.46 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.444 0.698 . . . . 74.22 111.56 -177.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.14 -36.16 80.96 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.613 0.765 . . . . 75.24 111.687 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' MET . . . . . 0.43 ' HE1' ' HA ' ' B' ' 111' ' ' VAL . 58.8 mtm -77.52 -23.54 50.18 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.031 0.533 . . . . 74.12 111.935 -176.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.6 pt -98.3 -1.05 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.805 0.442 . . . . 74.31 112.106 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' B' ' 112' ' ' ALA . 65.8 mtp180 -64.63 94.77 0.13 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.652 0.381 . . . . 73.32 110.454 175.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.51 -0.768 . . . . 61.31 112.25 176.018 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 58.2 mt . . . . . 0 CA--C 1.547 0.831 0 N-CA-C 110.353 -0.24 . . . . 75.51 110.353 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.4 m -79.14 128.07 38.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 121.434 0.635 . . . . 54.01 109.295 169.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.553 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 90.1 mttt -86.66 106.13 17.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.087 -0.96 . . . . 73.01 109.284 -173.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -109.05 95.73 5.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.611 -0.514 . . . . 71.45 109.611 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG3' HG22 ' A' ' 13' ' ' VAL . 5.1 mp0 -70.88 138.17 49.96 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.385 -0.598 . . . . 73.14 109.385 174.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 p -82.15 -178.28 6.96 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.161 0.584 . . . . 70.32 110.697 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -63.68 -26.05 68.49 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.594 0.758 . . . . 52.13 111.05 170.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 32.5 t70 -89.82 12.66 16.55 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.352 1.061 . . . . 70.43 110.742 176.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 70.04 2.15 3.8 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.441 1.496 . . . . 74.51 113.735 170.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -72.9 122.31 21.43 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.706 0.402 . . . . 71.32 110.041 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG22 ' HG3' ' A' ' 7' ' ' GLU . 50.2 t -75.97 109.5 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 O-C-N 124.096 0.872 . . . . 72.24 109.541 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -103.32 91.55 4.12 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.73 0.812 . . . . 64.43 109.351 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.553 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 40.7 mt-10 -75.59 116.58 16.46 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.11 -0.95 . . . . 65.43 109.631 175.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.546 HD12 ' HB3' ' A' ' 55' ' ' LEU . 18.3 tt -136.39 153.76 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 108.743 -0.836 . . . . 75.42 108.743 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HB2' HG13 ' A' ' 20' ' ' ILE . 53.5 mt-10 -55.05 138.01 45.07 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.905 0.482 . . . . 70.33 111.023 -177.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -57.68 -39.76 77.87 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.97 0.908 . . . . 71.51 110.963 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.46 -28.0 69.37 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.081 0.952 . . . . 74.15 112.343 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.569 HG13 ' HB2' ' A' ' 17' ' ' GLU . 53.1 mt -76.47 -43.84 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 123.08 0.552 . . . . 52.44 110.131 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.68 -17.55 55.99 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.571 0.748 . . . . 64.2 112.785 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.8 m -71.06 -23.86 62.22 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.828 0.851 . . . . 75.23 112.498 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.7 mtm -68.72 -31.21 70.11 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.157 0.583 . . . . 64.45 110.66 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.0 t -74.41 114.49 12.86 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.062 -1.088 . . . . 62.22 108.062 169.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.44 -41.49 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.013 0.525 . . . . 44.43 110.538 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 m -63.61 -52.51 60.57 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.314 0.645 . . . . 72.52 111.846 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.475 HG13 HD22 ' A' ' 98' ' ' LEU . 75.3 mt -64.03 -42.28 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 122.602 0.361 . . . . 72.01 110.22 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 24.2 ttpp -55.76 -52.51 63.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.929 0.891 . . . . 63.55 110.924 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -60.06 -36.57 77.62 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.89 0.876 . . . . 75.34 111.288 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.0 mtt -63.0 -47.32 83.6 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.392 0.433 . . . . 72.31 110.499 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.4 mt -61.33 -33.86 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.74 0.816 . . . . 61.23 110.142 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 44.9 mt-10 -71.26 -45.04 64.09 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.333 0.653 . . . . 75.4 111.76 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.03 -42.34 80.75 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 122.782 0.433 . . . . 72.41 111.57 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -73.23 -29.88 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.888 0.875 . . . . 61.3 110.361 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.57 165.92 40.7 Favored Glycine 0 C--O 1.246 0.859 0 N-CA-C 110.503 -1.039 . . . . 51.24 110.503 -169.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.88 97.68 0.06 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.36 0.664 . . . . 72.53 109.915 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.0 m -127.89 136.44 51.39 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 124.014 0.926 . . . . 72.43 109.526 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -78.22 -4.73 49.21 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.672 0.389 . . . . 62.32 110.629 171.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.0 m -49.07 126.0 14.32 Favored Pre-proline 0 C--N 1.356 0.886 0 C-N-CA 124.955 1.302 . . . . 72.41 111.566 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 37.6 Cg_endo -63.11 129.28 25.23 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.691 2.26 . . . . 64.13 111.947 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.0 mm -105.56 102.75 39.66 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 109.204 -0.665 . . . . 75.33 109.204 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.85 146.43 47.85 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.355 2.037 . . . . 45.24 110.913 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.6 mt -118.37 92.95 44.42 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 107.93 -1.137 . . . . 74.02 107.93 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -81.45 63.28 8.56 Favored 'Trans proline' 0 C--N 1.382 2.315 0 C-N-CA 123.29 2.66 . . . . 65.3 112.567 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -160.61 -50.21 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.366 -0.834 . . . . 73.33 109.161 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.15 125.46 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.089 0 CA-C-N 115.473 -0.785 . . . . 62.04 110.41 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 p -79.3 174.84 11.16 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.907 0.883 . . . . 71.45 111.152 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.467 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 73.9 p -66.05 -47.25 74.97 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.466 0.543 . . . . 70.02 112.466 -172.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.8 p -60.74 -37.01 80.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.784 0.833 . . . . 45.35 111.512 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.643 HG23 HD23 ' A' ' 91' ' ' LEU . 43.9 mm -80.62 -46.74 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.755 -0.657 . . . . 61.25 110.147 -176.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.25 -28.72 69.92 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.723 0.809 . . . . 74.34 111.052 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -53.04 -54.07 40.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.45 1.1 . . . . 73.23 110.024 171.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -76.98 -32.79 57.49 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.372 -0.831 . . . . 52.31 111.939 -176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.475 HG11 HD12 ' A' ' 98' ' ' LEU . 51.4 t -60.44 -53.1 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 109.447 -0.575 . . . . 72.1 109.447 177.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.546 ' HB3' HD12 ' A' ' 16' ' ' ILE . 68.1 mt -74.57 -29.84 61.5 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.22 -0.9 . . . . 74.31 112.171 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.41 -34.06 65.29 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 118.214 0.461 . . . . 74.14 110.795 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -63.77 -42.0 97.86 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.506 -0.553 . . . . 44.44 109.506 170.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 91.3 m -66.56 -31.49 72.23 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 115.253 -0.885 . . . . 74.41 111.178 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 72.8 mtt180 -62.92 -50.52 70.52 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 109.355 -0.609 . . . . 75.11 109.355 171.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -57.92 -44.75 87.06 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.943 0.897 . . . . 73.3 111.314 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -67.5 -35.65 79.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.185 0.994 . . . . 75.23 111.026 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -82.58 -47.21 12.37 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.094 0.557 . . . . 73.23 111.804 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -77.69 -29.4 51.38 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.416 0.686 . . . . 72.13 111.198 -175.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 107.752 -1.203 . . . . 74.35 107.752 175.22 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 108.747 -0.834 . . . . 75.4 108.747 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.94 147.51 30.64 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.539 2.159 . . . . 70.15 111.28 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.58 -50.44 13.81 Favored 'Trans proline' 0 C--N 1.385 2.472 0 C-N-CA 123.562 2.842 . . . . 73.22 113.109 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -54.54 -54.1 45.7 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.493 0.496 . . . . 72.34 111.326 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.97 -31.89 73.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.953 0.901 . . . . 61.35 111.48 -170.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -75.59 -45.38 37.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.322 -0.399 . . . . 64.43 110.709 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.69 -23.27 66.1 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.463 0.705 . . . . 74.34 111.769 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -67.4 -42.5 83.2 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.328 1.051 . . . . 75.21 109.857 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 65.8 m -76.59 -15.04 59.94 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.772 -1.104 . . . . 75.2 111.981 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -76.25 79.88 3.03 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.371 -0.603 . . . . 73.32 109.371 175.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.1 m -132.02 160.07 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.817 1.247 . . . . 61.35 108.55 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.08 156.07 40.04 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.176 -0.675 . . . . 70.44 109.176 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -59.48 -46.85 98.83 Favored Pre-proline 0 CA--C 1.567 1.625 0 CA-C-O 118.341 -0.838 . . . . 74.43 113.036 -171.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.65 -47.41 27.38 Favored 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 121.996 1.797 . . . . 73.32 113.381 169.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.2 m -61.62 -30.78 70.92 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.932 0.893 . . . . 64.01 111.64 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 tt -70.13 -43.94 69.94 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.28 1.032 . . . . 65.55 108.935 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.497 ' HE2' ' HE2' ' B' ' 89' ' ' PHE . 19.2 m-85 -63.37 -33.16 74.93 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.789 -0.641 . . . . 63.0 111.174 176.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.47 -36.87 85.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.683 0.793 . . . . 72.21 111.856 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.643 HD23 HG23 ' A' ' 50' ' ' ILE . 95.0 mt -67.14 -36.1 81.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.031 0.532 . . . . 73.24 110.539 175.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.36 -43.75 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.3 0.64 . . . . 71.5 109.898 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' B' ' 112' ' ' ALA . 91.2 mt -60.27 -47.95 83.82 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.04 0.936 . . . . 62.32 111.131 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.95 -36.43 80.09 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.872 0.869 . . . . 34.4 111.876 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.35 -32.55 66.57 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.373 0.669 . . . . 74.01 111.559 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -78.73 -36.65 42.95 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.701 0.8 . . . . 71.24 110.261 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.92 -39.08 92.97 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.17 0.988 . . . . 75.21 110.827 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.475 HD12 HG11 ' A' ' 54' ' ' VAL . 76.8 mt -96.23 -8.16 33.68 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.297 0.639 . . . . 74.43 111.693 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t70 57.07 34.54 25.06 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.119 1.368 . . . . 74.3 111.527 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.0 mt -78.77 103.38 5.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.832 -1.173 . . . . 54.43 107.832 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -58.98 -49.62 92.36 Favored Pre-proline 0 CA--C 1.562 1.419 0 CA-C-O 117.906 -1.045 . . . . 73.21 112.723 -175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.91 -48.55 16.0 Favored 'Trans proline' 0 C--N 1.401 3.331 0 C-N-CA 121.836 1.69 . . . . 61.43 112.672 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.0 -47.08 84.64 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.838 0.455 . . . . 64.44 111.364 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.625 HD21 HD21 ' B' ' 104' ' ' LEU . 48.0 tp -63.18 -42.74 99.41 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.785 0.678 . . . . 62.35 110.511 -177.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.6 -48.76 65.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.798 -0.637 . . . . 53.52 110.535 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.21 -45.66 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.339 0.655 . . . . 73.34 111.185 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.7 m -67.79 -35.89 79.48 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 123.147 0.579 . . . . 75.11 111.425 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 75.1 m -72.69 -30.19 64.03 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.089 0.555 . . . . 50.25 110.961 175.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.8 -31.21 59.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.022 0.529 . . . . 62.41 110.584 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.9 m -57.81 -53.32 59.55 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.289 0.636 . . . . 75.32 110.643 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.9 m -65.01 -35.01 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 115.759 -0.655 . . . . 75.21 110.955 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.15 96.53 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.284 0.634 . . . . 71.44 111.539 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -70.29 -37.08 74.75 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.722 0.409 . . . . 75.13 110.866 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 71.0 mtm -70.17 -40.66 74.58 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 111.934 0.346 . . . . 73.41 111.934 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 30.7 pt -79.31 -27.09 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 122.549 0.34 . . . . 74.22 111.838 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -92.17 -18.38 23.58 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.179 0.591 . . . . 74.42 111.664 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 CA-C-O 119.109 -0.829 . . . . 72.22 111.306 -178.377 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.978 0.418 . . . . 63.44 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 mt -81.58 118.89 23.13 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.549 -0.75 . . . . 71.23 110.126 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 24.3 m -79.08 128.43 38.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 109.448 -0.575 . . . . 74.33 109.448 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.541 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 90.5 mttt -86.87 106.6 17.86 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.998 0.919 . . . . 71.12 109.095 -173.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.0 mt -109.52 95.38 5.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.953 0.501 . . . . 64.21 109.714 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.43 ' HG3' HG22 ' B' ' 13' ' ' VAL . 3.5 mp0 -70.67 138.58 50.79 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.311 -0.625 . . . . 75.43 109.311 174.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.6 p -82.3 -177.88 6.82 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.343 0.657 . . . . 74.3 110.424 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.6 m -63.99 -27.42 69.11 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.569 0.748 . . . . 54.11 110.443 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.46 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 34.3 t70 -88.97 15.08 9.12 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.137 0.975 . . . . 74.52 110.959 175.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 68.11 3.15 3.49 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.169 1.388 . . . . 74.53 113.802 169.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -74.2 122.95 23.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.069 0.547 . . . . 74.12 109.869 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.43 HG22 ' HG3' ' B' ' 7' ' ' GLU . 43.7 t -77.13 109.22 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 O-C-N 124.33 1.019 . . . . 65.23 109.646 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -102.86 91.06 3.99 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.58 0.752 . . . . 73.34 109.378 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.541 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 38.8 mt-10 -74.86 115.78 14.84 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.172 -0.922 . . . . 73.31 109.529 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' B' ' 55' ' ' LEU . 18.2 tt -135.65 153.29 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 123.658 0.783 . . . . 73.2 108.901 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.583 ' HB2' HG13 ' B' ' 20' ' ' ILE . 56.4 mt-10 -55.19 137.34 47.31 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.068 0.547 . . . . 74.42 110.992 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -57.77 -39.29 77.11 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.052 0.941 . . . . 51.33 110.951 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.28 -29.36 70.45 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.007 -0.997 . . . . 71.3 112.196 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.583 HG13 ' HB2' ' B' ' 17' ' ' GLU . 52.9 mt -75.3 -43.72 43.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 123.017 0.527 . . . . 75.34 110.172 175.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.83 -17.54 56.69 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.72 0.808 . . . . 51.52 112.696 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 66.1 m -71.14 -23.39 62.07 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.757 0.823 . . . . 73.21 112.465 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 53.7 mtm -69.15 -30.45 68.7 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 122.979 0.512 . . . . 71.34 110.732 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -75.2 114.38 13.64 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.086 -1.079 . . . . 70.23 108.086 169.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.97 -41.86 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 123.573 0.546 . . . . 73.44 110.477 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 54.9 m -63.18 -52.65 61.5 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.348 0.659 . . . . 70.35 112.037 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.485 HG13 HD22 ' B' ' 98' ' ' LEU . 75.5 mt -64.11 -42.17 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.648 0.379 . . . . 54.23 110.118 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' B' ' 32' ' ' GLU . 24.2 ttpp -55.83 -51.84 66.08 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.016 0.926 . . . . 73.04 110.738 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -60.53 -36.64 78.9 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.955 0.902 . . . . 71.22 111.291 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 66.9 mtt -63.36 -47.23 82.99 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.612 0.57 . . . . 70.13 110.372 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 79.7 mt -61.67 -33.84 59.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.651 0.781 . . . . 63.33 110.265 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 43.8 mt-10 -70.85 -45.87 63.72 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.197 0.599 . . . . 74.12 111.482 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.11 -44.54 84.04 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.98 0.512 . . . . 71.21 111.582 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -72.79 -28.7 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.99 0.916 . . . . 73.22 110.604 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.1 166.86 40.89 Favored Glycine 0 C--O 1.244 0.771 0 N-CA-C 110.742 -0.943 . . . . 73.03 110.742 -170.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.63 97.02 0.09 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.116 0.567 . . . . 74.12 109.563 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 36.4 m -127.28 137.73 52.91 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.101 -0.954 . . . . 52.44 109.221 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -80.38 -3.02 48.03 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.962 0.505 . . . . 75.12 110.296 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -50.27 126.16 20.81 Favored Pre-proline 0 C--N 1.358 0.949 0 C-N-CA 124.977 1.311 . . . . 52.01 111.609 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' PRO . . . . . 0.461 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 37.0 Cg_endo -63.3 127.91 21.28 Favored 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.749 2.299 . . . . 43.32 112.44 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 42.3 mm -104.34 103.1 37.15 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 109.334 -0.617 . . . . 70.52 109.334 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -72.53 144.68 40.73 Favored 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.382 2.055 . . . . 64.14 111.148 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 86.4 mt -116.77 92.42 38.15 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 108.012 -1.107 . . . . 71.21 108.012 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.39 61.22 8.01 Favored 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 123.379 2.719 . . . . 72.34 112.737 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -158.85 -48.91 0.06 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.84 0.856 . . . . 72.54 109.035 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.29 125.98 44.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 CA-C-N 115.957 -0.565 . . . . 73.33 110.218 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.2 p -79.56 174.64 11.37 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.732 0.813 . . . . 63.02 111.282 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 63.8 p -65.74 -47.89 73.74 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.042 0.537 . . . . 64.53 112.42 -171.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 47.2 p -60.43 -36.79 79.03 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.839 0.856 . . . . 65.44 111.588 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.641 HG23 HD23 ' B' ' 91' ' ' LEU . 43.5 mm -80.68 -46.99 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 115.667 -0.697 . . . . 73.41 110.169 -177.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.5 tp -64.25 -28.67 69.89 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.847 0.859 . . . . 73.21 111.023 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -52.89 -54.13 39.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.382 1.073 . . . . 73.33 110.049 171.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -77.02 -32.53 57.16 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.359 -0.837 . . . . 64.12 111.958 -176.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.46 HG11 HD12 ' B' ' 98' ' ' LEU . 51.2 t -60.7 -53.17 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 109.418 -0.586 . . . . 44.44 109.418 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.543 ' HB3' HD12 ' B' ' 16' ' ' ILE . 68.8 mt -74.54 -29.52 61.41 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.265 -0.88 . . . . 73.14 111.977 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.81 -34.34 64.56 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 118.145 0.43 . . . . 55.24 110.852 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -63.34 -41.86 98.89 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.452 -0.573 . . . . 71.42 109.452 170.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 88.9 m -66.89 -31.22 71.66 Favored 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 115.271 -0.877 . . . . 72.41 111.243 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 74.8 mtt180 -63.05 -50.7 69.62 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.182 0.593 . . . . 73.34 109.484 171.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -58.11 -44.6 87.8 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.195 -0.911 . . . . 53.24 111.241 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -67.64 -36.11 80.15 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.356 1.062 . . . . 72.04 111.083 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -81.97 -47.31 12.84 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.025 -0.534 . . . . 61.05 111.557 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -77.56 -28.05 51.68 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.479 0.712 . . . . 74.55 111.276 -175.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 107.721 -1.215 . . . . 72.0 107.721 174.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 CA--C 1.546 0.826 0 N-CA-C 108.375 -0.972 . . . . 72.45 108.375 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.06 148.87 28.06 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.526 2.151 . . . . 61.15 111.511 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -54.57 -49.86 15.37 Favored 'Trans proline' 0 C--N 1.385 2.475 0 C-N-CA 123.28 2.653 . . . . 72.32 113.161 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -54.97 -55.24 32.99 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.717 0.636 . . . . 74.52 111.323 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.09 -32.17 72.69 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.122 0.889 . . . . 70.45 111.622 -170.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -75.63 -45.2 38.71 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.361 -0.381 . . . . 65.54 110.526 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.46 -23.11 66.22 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.412 0.685 . . . . 73.24 111.66 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -67.45 -42.99 82.19 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.308 1.043 . . . . 71.53 109.852 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 65.3 m -76.06 -14.63 60.2 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 114.739 -1.119 . . . . 32.1 111.829 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -76.38 78.9 3.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.203 0.601 . . . . 71.53 109.981 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 19.5 m -132.43 159.37 43.18 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 C-N-CA 124.594 1.158 . . . . 72.44 108.527 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.78 156.15 39.88 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.968 -0.752 . . . . 72.04 108.968 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -60.16 -47.24 97.28 Favored Pre-proline 0 CA--C 1.568 1.648 0 N-CA-C 113.337 0.866 . . . . 61.04 113.337 -171.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -53.95 -45.89 37.7 Favored 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 122.076 1.851 . . . . 73.04 112.925 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.6 m -62.1 -31.23 71.66 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.099 0.96 . . . . 51.52 111.476 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.28 -43.54 70.24 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.327 1.051 . . . . 75.33 108.963 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.497 ' HE2' ' HE2' ' A' ' 89' ' ' PHE . 18.4 m-85 -63.43 -33.76 76.27 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.925 -0.579 . . . . 64.01 110.982 175.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.82 -36.54 84.65 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.548 0.739 . . . . 74.41 111.517 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.641 HD23 HG23 ' B' ' 50' ' ' ILE . 94.7 mt -66.79 -36.56 82.68 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.194 0.597 . . . . 73.41 110.688 174.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.09 -43.8 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.241 0.617 . . . . 62.14 109.983 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.69 -47.33 86.73 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.014 0.926 . . . . 61.2 110.954 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.38 79.51 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.978 0.911 . . . . 73.23 111.814 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.59 -33.08 66.49 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.336 0.654 . . . . 61.25 111.574 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -78.2 -36.05 47.82 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.781 0.833 . . . . 61.44 110.397 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -65.16 -39.67 93.28 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.107 0.963 . . . . 72.23 110.72 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.485 HD22 HG13 ' B' ' 27' ' ' ILE . 76.1 mt -95.76 -7.75 36.32 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.162 0.585 . . . . 72.45 111.751 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 24.0 t70 56.68 34.92 25.37 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 125.042 1.337 . . . . 73.14 111.418 175.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.8 mt -79.47 103.26 6.22 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 107.778 -1.193 . . . . 71.22 107.778 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -59.26 -49.31 93.42 Favored Pre-proline 0 CA--C 1.559 1.322 0 CA-C-O 117.966 -1.016 . . . . 71.31 112.612 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.95 -48.54 15.99 Favored 'Trans proline' 0 C--N 1.401 3.31 0 C-N-CA 121.868 1.712 . . . . 73.12 112.66 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.25 -47.29 83.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.896 0.478 . . . . 75.11 111.277 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.625 HD21 HD21 ' A' ' 104' ' ' LEU . 47.0 tp -62.96 -42.27 99.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.759 -0.655 . . . . 71.41 110.57 -177.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.83 -49.24 63.32 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.801 -0.636 . . . . 63.24 110.555 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 56.4 t -59.05 -45.64 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.309 0.643 . . . . 61.01 111.191 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 30.3 m -67.72 -35.89 79.6 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.05 0.54 . . . . 61.44 111.444 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 73.1 m -72.48 -30.72 64.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.95 0.5 . . . . 73.32 110.821 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -75.58 -30.89 59.77 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.034 0.534 . . . . 74.23 110.604 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 94.1 m -57.6 -53.41 58.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.234 0.614 . . . . 32.33 110.497 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 16.5 m -65.21 -35.44 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 115.569 -0.741 . . . . 73.02 111.108 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' ALA . . . . . 0.404 ' HB2' HD11 ' A' ' 93' ' ' LEU . . . -62.43 -40.34 96.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.522 0.729 . . . . 63.33 111.557 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -69.78 -37.81 76.48 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.78 0.432 . . . . 72.23 110.884 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.78 -40.95 75.72 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.378 0.424 . . . . 42.01 111.697 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.2 pt -78.5 -29.31 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 C-N-CA 122.717 0.407 . . . . 74.32 112.092 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 . . . . . 0 N--CA 1.481 1.085 0 C-N-CA 123.359 0.663 . . . . 71.02 111.552 178.345 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 110.435 -0.209 . . . . 73.43 110.435 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m -81.25 126.12 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 109.615 -0.513 . . . . 73.22 109.615 171.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.59 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 92.6 mttt -86.49 100.92 12.71 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.915 0.886 . . . . 61.32 109.232 -176.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.8 mt -110.14 98.53 7.77 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.835 0.854 . . . . 73.35 109.655 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 42' ' ' PRO . 8.8 mp0 -75.5 150.6 38.15 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.011 0.434 . . . . 74.44 109.936 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.4 p -93.96 -178.69 4.73 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.315 -0.857 . . . . 65.24 110.682 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.6 t -63.5 -25.87 68.45 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.088 -0.96 . . . . 71.1 110.224 168.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.597 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 37.0 t70 -92.37 10.7 28.79 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.567 1.147 . . . . 70.34 110.74 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 74.03 -1.11 3.16 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 124.821 1.248 . . . . 53.4 113.048 166.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.506 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 92.5 mttt -70.44 123.98 23.08 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.871 -0.518 . . . . 73.14 110.681 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.9 t -75.14 107.2 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 124.396 1.078 . . . . 71.03 110.183 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -99.29 92.5 5.46 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.631 0.729 . . . . 75.12 110.026 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.59 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 32.9 mt-10 -82.61 94.5 7.54 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.572 -1.194 . . . . 71.32 109.349 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.617 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.9 tt -111.49 155.32 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.56 0.744 . . . . 74.32 109.544 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -56.83 129.14 40.09 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.739 0.816 . . . . 74.11 109.481 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.03 -38.01 78.27 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.941 0.896 . . . . 61.34 111.794 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.32 -32.92 68.94 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.968 0.907 . . . . 70.25 112.016 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.548 HD13 ' HA ' ' A' ' 59' ' ' ARG . 50.2 mt -80.72 -39.86 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.775 0.83 . . . . 64.12 110.296 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB1' HG21 ' A' ' 27' ' ' ILE . . . -65.61 -20.89 66.49 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.318 0.647 . . . . 63.42 111.837 176.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -69.71 -23.89 63.49 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.421 0.688 . . . . 74.01 112.221 174.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.6 mtm -69.32 -31.65 70.26 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.716 0.293 . . . . 71.51 110.462 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -66.97 112.62 4.43 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.262 -1.014 . . . . 65.44 108.262 164.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 63.2 t -60.82 -33.86 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 O-C-N 123.706 0.629 . . . . 55.52 110.631 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.0 m -67.48 -51.24 53.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.053 0.541 . . . . 72.14 111.599 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.44 HG21 ' HB1' ' A' ' 21' ' ' ALA . 74.8 mt -65.5 -43.19 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 122.846 0.458 . . . . 71.24 109.997 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -57.66 -50.79 72.02 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.919 0.887 . . . . 61.22 110.749 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.26 -28.92 70.36 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.602 0.761 . . . . 73.21 111.594 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.1 mtt -68.49 -45.34 72.61 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.391 0.276 . . . . 63.01 110.666 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.0 -35.64 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 122.985 0.514 . . . . 62.31 110.237 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -77.35 -45.23 26.77 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 122.997 0.519 . . . . 71.52 112.212 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.02 -46.43 18.18 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.368 0.667 . . . . 71.32 111.875 -171.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -74.52 -34.96 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 121.472 0.653 . . . . 74.32 109.496 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.98 178.84 21.49 Favored Glycine 0 C--O 1.246 0.883 0 CA-C-N 115.113 -0.949 . . . . 45.24 111.44 -177.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.81 89.71 0.16 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.275 0.63 . . . . 75.11 109.824 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 m -94.08 115.0 27.26 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.209 -0.905 . . . . 62.25 109.474 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.38 -19.77 57.82 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.402 0.681 . . . . 64.44 110.623 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 m -65.25 144.02 98.92 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.54 0.736 . . . . 44.22 110.455 173.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.406 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 82.1 Cg_endo -73.94 149.48 42.12 Favored 'Trans proline' 0 C--N 1.372 1.778 0 C-N-CA 122.579 2.186 . . . . 63.32 111.521 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.29 102.66 34.33 Favored Pre-proline 0 CA--C 1.553 1.068 0 N-CA-C 109.192 -0.67 . . . . 74.34 109.192 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 95.5 Cg_endo -84.66 111.17 1.46 Allowed 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.506 2.137 . . . . 54.13 112.371 174.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -87.08 101.79 2.53 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 123.819 0.848 . . . . 71.44 108.919 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -84.37 11.86 3.22 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 123.031 2.487 . . . . 64.54 113.352 -174.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -99.57 -57.44 2.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.647 0.779 . . . . 71.31 110.825 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.9 131.0 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 122.892 0.477 . . . . 63.13 110.641 -175.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.9 p -72.1 167.88 19.32 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.917 0.887 . . . . 63.32 111.819 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.597 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 72.3 p -68.5 -47.53 66.75 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.125 0.57 . . . . 74.3 112.355 -173.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.4 p -56.37 -47.28 79.2 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.249 0.968 . . . . 74.44 111.008 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.502 HG23 HD23 ' A' ' 91' ' ' LEU . 47.1 mm -75.49 -43.47 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.073 -0.967 . . . . 71.11 110.766 -174.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.4 tp -62.1 -41.19 97.96 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.493 0.496 . . . . 71.4 110.788 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.58 -47.14 86.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.455 0.702 . . . . 70.34 110.455 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.495 ' HE2' HG11 ' A' ' 83' ' ' VAL . 29.7 mtpp -60.56 -51.64 68.56 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 114.67 -1.15 . . . . 72.05 111.198 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.2 t -66.32 -35.62 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 123.165 0.586 . . . . 75.35 111.208 -174.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.617 ' HB3' HD12 ' A' ' 16' ' ' ILE . 53.2 mt -70.5 -40.04 73.77 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.102 0.561 . . . . 74.12 111.167 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -73.34 -32.34 64.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.742 0.417 . . . . 74.53 110.278 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -60.92 -51.57 68.71 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.178 -0.675 . . . . 72.11 109.178 171.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.64 ' SG ' HD13 ' A' ' 100' ' ' ILE . 94.4 m -59.22 -31.57 69.17 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 114.877 -1.056 . . . . 43.15 111.032 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.548 ' HA ' HD13 ' A' ' 20' ' ' ILE . 14.2 ttp180 -61.51 -48.52 80.68 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 122.428 0.291 . . . . 72.41 110.638 174.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -63.02 -40.35 97.48 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.76 0.424 . . . . 51.23 111.091 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -70.57 -24.8 62.84 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.832 0.853 . . . . 64.32 111.485 -178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -80.57 -38.53 29.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.907 0.483 . . . . 73.25 110.033 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 13.0 mm100 -71.17 -30.34 66.32 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.773 0.671 . . . . 60.31 110.878 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 108.231 -1.026 . . . . 73.41 108.231 174.629 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 CA--C 1.561 1.404 0 N-CA-C 110.11 -0.33 . . . . 73.02 110.11 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.89 146.24 87.38 Favored 'Trans proline' 0 C--N 1.373 1.867 0 C-N-CA 122.786 2.324 . . . . 71.45 112.246 -173.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -46.05 -37.5 17.72 Favored 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 124.198 3.265 . . . . 71.15 114.834 -176.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -57.79 -56.46 21.71 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.565 0.541 . . . . 74.02 110.574 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.11 -27.01 62.35 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.472 1.109 . . . . 73.34 110.536 -171.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -68.61 -51.38 43.02 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.187 -0.915 . . . . 72.02 109.988 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -76.25 -22.91 54.59 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.448 0.699 . . . . 70.34 111.678 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.443 ' HE2' HD21 ' A' ' 103' ' ' LEU . 57.5 t80 -60.53 -48.53 81.38 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.877 0.871 . . . . 71.53 110.564 175.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 83.6 m -75.44 -11.12 59.97 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.851 -1.068 . . . . 63.2 111.657 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -77.75 83.24 4.11 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 109.212 -0.662 . . . . 73.42 109.212 172.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.495 HG11 ' HE2' ' A' ' 53' ' ' LYS . 17.2 m -131.74 173.56 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.446 1.098 . . . . 72.21 109.096 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.23 159.95 19.62 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.31 0.644 . . . . 72.24 109.678 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 59.7 tp60 -60.27 -49.9 88.44 Favored Pre-proline 0 CA--C 1.567 1.618 0 CA-C-O 118.444 -0.788 . . . . 75.4 112.616 -172.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 46.8 Cg_exo -60.65 -33.66 93.11 Favored 'Trans proline' 0 C--N 1.386 2.543 0 C-N-CA 121.837 1.691 . . . . 53.52 113.134 171.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 m -67.92 -30.34 69.64 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.789 0.835 . . . . 65.51 111.427 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 85' ' ' GLN . 65.1 mt -57.89 -47.43 82.79 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.642 0.777 . . . . 41.13 110.38 170.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -67.9 -30.16 69.44 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.298 -0.865 . . . . 74.44 111.237 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.432 ' HB3' HG13 ' A' ' 50' ' ' ILE . 23.2 mm-40 -64.05 -40.74 96.96 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.123 0.569 . . . . 73.42 111.172 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.502 HD23 HG23 ' A' ' 50' ' ' ILE . 95.4 mt -66.05 -35.85 81.65 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.292 0.637 . . . . 75.53 110.488 176.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.97 -40.93 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.827 0.851 . . . . 74.2 110.384 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.0 mt -64.43 -45.66 86.55 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.64 0.776 . . . . 73.25 110.608 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.42 77.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.787 0.835 . . . . 62.25 111.764 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.519 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -70.01 -37.64 75.72 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.202 0.601 . . . . 73.22 111.496 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.44 -35.54 68.32 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.395 0.678 . . . . 72.43 110.189 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -70.25 -39.7 74.86 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.975 0.91 . . . . 61.52 111.57 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.8 mt -99.0 -2.44 37.31 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.428 0.691 . . . . 65.45 111.636 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.404 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 23.3 t0 54.81 40.49 31.98 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.414 1.486 . . . . 73.32 111.758 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.64 HD13 ' SG ' ' A' ' 58' ' ' CYS . 38.1 mt -86.86 86.46 2.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 108.152 -1.055 . . . . 61.1 108.152 173.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -60.59 -38.82 60.99 Favored Pre-proline 0 CA--C 1.559 1.296 0 CA-C-N 114.645 -1.161 . . . . 74.44 112.324 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -47.49 -56.12 3.35 Favored 'Trans proline' 0 C--N 1.4 3.283 0 C-N-CA 122.55 2.166 . . . . 72.13 114.165 170.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.5 tm? -67.94 -41.55 82.37 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.513 0.508 . . . . 64.51 109.871 -176.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.436 ' HB2' ' HB1' ' A' ' 95' ' ' ALA . 44.9 tp -58.98 -44.43 91.58 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.078 0.862 . . . . 70.22 110.723 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.83 -43.57 75.26 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.724 0.809 . . . . 74.1 110.973 -175.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.99 -36.33 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 123.102 0.561 . . . . 52.13 111.283 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.2 m -70.13 -37.86 75.39 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 109.97 -0.382 . . . . 61.25 109.97 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.0 m -68.72 -30.13 68.71 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.437 0.695 . . . . 75.02 110.816 175.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.11 -48.31 62.87 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.484 -0.562 . . . . 74.24 109.484 174.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.7 m -58.33 -51.81 68.24 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.634 0.774 . . . . 73.32 111.574 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.5 m -64.64 -33.79 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 123.448 0.468 . . . . 74.22 110.835 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.73 -39.04 84.3 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.553 0.533 . . . . 75.25 110.659 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -70.05 -26.21 63.91 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.963 0.505 . . . . 74.03 111.533 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.424 ' HE2' ' HB2' ' A' ' 114' ' ' MET . 42.0 mtm -74.61 -49.33 22.02 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 110.025 -0.361 . . . . 73.41 110.025 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' B' ' 86' ' ' PRO . 16.6 pt -78.0 -30.44 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.174 0.59 . . . . 63.44 111.909 -174.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -88.89 -14.11 37.56 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.507 0.723 . . . . 73.34 110.721 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.278 0 CA-C-O 119.244 -0.754 . . . . 72.4 113.182 179.418 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.714 0.292 . . . . 74.13 111.011 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 82.3 mt -94.81 124.28 38.76 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.949 0.9 . . . . 75.3 110.474 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m -79.65 125.71 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 109.653 -0.499 . . . . 64.21 109.653 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.578 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 92.4 mttt -86.23 101.0 12.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.86 0.864 . . . . 70.42 109.111 -176.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.3 mt -110.11 98.53 7.78 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.738 0.815 . . . . 73.32 109.485 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 42' ' ' PRO . 7.9 mp0 -75.5 149.72 38.36 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.0 0.429 . . . . 75.03 109.969 179.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.1 p -92.8 -179.0 5.01 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.43 -0.804 . . . . 74.55 110.746 175.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -61.65 -28.36 69.33 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.09 -0.959 . . . . 73.03 110.115 168.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.597 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 35.5 t70 -91.33 10.28 28.06 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.462 1.105 . . . . 75.53 110.733 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 75.42 -1.26 3.07 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.896 1.278 . . . . 65.32 113.105 166.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.51 ' HD2' ' HB2' ' B' ' 48' ' ' SER . 93.4 mttt -70.5 124.22 23.68 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.852 -0.53 . . . . 73.22 110.575 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.04 109.33 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 124.059 0.944 . . . . 63.44 109.945 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -100.71 92.29 5.02 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.733 0.778 . . . . 64.1 110.009 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.578 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.9 mt-10 -82.53 93.32 7.26 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.43 -1.259 . . . . 74.53 109.602 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.612 HD12 ' HB3' ' B' ' 55' ' ' LEU . 12.4 tt -110.97 155.68 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.631 0.772 . . . . 64.13 109.442 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -57.44 129.03 40.0 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 123.722 0.809 . . . . 73.51 109.333 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.7 -37.76 76.81 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 124.257 0.973 . . . . 73.51 111.865 -174.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.75 -32.14 68.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.261 1.024 . . . . 74.22 112.074 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' B' ' 59' ' ' ARG . 50.0 mt -81.11 -39.73 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.858 0.863 . . . . 71.45 110.3 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.439 ' HB1' HG21 ' B' ' 27' ' ' ILE . . . -65.75 -21.07 66.49 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.722 -0.672 . . . . 75.05 111.909 176.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 73.3 m -69.74 -24.53 63.56 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.493 0.717 . . . . 64.33 111.931 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 15.1 mtm -68.46 -32.0 71.7 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 122.505 0.322 . . . . 63.04 110.523 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 69.7 m -67.15 112.23 4.34 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.111 -1.07 . . . . 65.43 108.111 165.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 67.6 t -60.49 -33.66 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 123.788 0.68 . . . . 64.44 110.53 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 94.3 m -67.75 -51.53 48.0 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.031 0.532 . . . . 74.42 111.685 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.439 HG21 ' HB1' ' B' ' 21' ' ' ALA . 75.2 mt -65.18 -42.73 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.918 0.487 . . . . 72.34 110.118 -178.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -58.08 -50.5 73.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.944 0.898 . . . . 73.14 110.713 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.75 -28.48 69.91 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.642 0.777 . . . . 74.22 111.651 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.1 mtt -68.84 -45.75 70.32 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.489 0.316 . . . . 72.1 110.641 174.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.32 -35.8 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 122.933 0.493 . . . . 73.15 110.442 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -77.1 -46.42 23.64 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.271 0.628 . . . . 73.34 111.944 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -78.31 -46.27 20.55 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.09 0.556 . . . . 71.11 111.729 -170.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -74.53 -34.71 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.334 0.654 . . . . 64.42 109.713 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.9 177.79 21.06 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-N 115.38 -0.827 . . . . 43.5 111.071 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -67.12 89.83 0.19 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.405 0.682 . . . . 74.01 109.499 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 27.1 m -93.66 114.17 26.43 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.214 -0.903 . . . . 43.14 109.648 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -76.55 -18.58 58.61 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.35 0.66 . . . . 72.23 110.609 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.5 m -66.89 144.36 98.5 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 123.634 0.774 . . . . 72.31 109.972 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' PRO . . . . . 0.404 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 86.1 Cg_endo -74.18 149.96 41.69 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.626 2.218 . . . . 70.34 111.644 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -104.55 102.74 35.88 Favored Pre-proline 0 CA--C 1.553 1.073 0 N-CA-C 109.132 -0.692 . . . . 45.3 109.132 -175.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' B' ' 7' ' ' GLU . 94.0 Cg_endo -85.1 109.07 1.19 Allowed 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.478 2.119 . . . . 73.44 112.565 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -84.89 102.53 2.36 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 123.615 0.766 . . . . 73.03 109.026 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -84.9 11.52 3.35 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.93 2.42 . . . . 62.33 113.471 -174.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -98.72 -60.22 1.58 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.674 0.79 . . . . 73.51 110.675 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.27 131.04 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 122.821 0.448 . . . . 62.23 110.781 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 38.4 p -72.66 168.21 19.17 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.0 0.92 . . . . 72.22 111.858 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.597 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.7 p -69.46 -47.28 64.45 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.399 0.518 . . . . 73.31 112.399 -172.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 55.5 p -56.98 -46.54 82.15 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.097 0.873 . . . . 74.01 110.704 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.507 HG23 HD23 ' B' ' 91' ' ' LEU . 46.2 mm -75.62 -43.85 40.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.101 -0.954 . . . . 75.34 110.754 -174.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 38.5 tp -62.02 -41.33 97.98 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.548 0.53 . . . . 45.23 110.704 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.57 -46.84 88.17 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.591 0.756 . . . . 73.23 110.349 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.469 ' HE2' HG11 ' B' ' 83' ' ' VAL . 29.1 mtpp -60.86 -51.34 69.7 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.645 -1.161 . . . . 72.24 111.335 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.0 t -66.59 -35.52 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.19 0.596 . . . . 71.3 111.098 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.612 ' HB3' HD12 ' B' ' 16' ' ' ILE . 55.1 mt -70.21 -40.14 74.73 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.01 0.524 . . . . 74.44 111.393 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.75 -31.38 63.31 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.897 0.479 . . . . 71.33 110.486 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -61.48 -52.11 65.89 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.136 -0.69 . . . . 60.43 109.136 170.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.653 ' SG ' HD13 ' B' ' 100' ' ' ILE . 89.5 m -58.74 -31.54 68.4 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 114.865 -1.061 . . . . 52.33 111.109 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.556 ' HA ' HD13 ' B' ' 20' ' ' ILE . 14.2 ttp180 -61.65 -48.48 80.65 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.444 0.298 . . . . 74.4 110.807 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -63.1 -40.3 97.24 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.678 0.391 . . . . 44.01 111.014 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -71.06 -24.97 62.44 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.816 0.846 . . . . 51.5 111.389 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -79.83 -39.12 31.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.74 0.416 . . . . 73.41 109.903 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 13.5 mm100 -70.38 -32.97 70.87 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.01 0.819 . . . . 65.14 110.519 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 108.307 -0.998 . . . . 61.1 108.307 174.771 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 CA--C 1.558 1.25 0 N-CA-C 110.231 -0.285 . . . . 60.32 110.231 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -58.24 146.05 90.54 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.717 2.278 . . . . 72.32 112.381 -173.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -47.37 -35.5 21.22 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 124.178 3.252 . . . . 63.01 114.661 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -58.59 -57.03 14.75 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.408 0.442 . . . . 74.13 110.508 174.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.97 -26.45 62.26 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.651 1.18 . . . . 72.34 110.506 -171.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -69.1 -52.05 32.36 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.186 -0.916 . . . . 62.24 109.723 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -75.21 -23.25 57.59 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.303 0.641 . . . . 74.43 111.618 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.45 ' HE2' HD21 ' B' ' 103' ' ' LEU . 58.4 t80 -60.27 -48.33 82.18 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.903 0.881 . . . . 74.21 110.698 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 86.3 m -75.82 -11.4 59.97 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.851 -1.068 . . . . 61.42 111.799 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -78.02 83.5 4.32 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 108.895 -0.78 . . . . 73.05 108.895 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.469 HG11 ' HE2' ' B' ' 53' ' ' LYS . 17.0 m -131.51 174.81 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.446 1.098 . . . . 72.54 109.138 176.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.3 159.29 24.21 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.349 0.66 . . . . 62.25 109.592 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.444 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 60.9 tp60 -60.0 -49.41 91.29 Favored Pre-proline 0 CA--C 1.566 1.58 0 CA-C-O 118.558 -0.734 . . . . 72.01 112.626 -172.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.46 ' HA ' HD12 ' A' ' 115' ' ' ILE . 51.8 Cg_exo -60.3 -33.7 94.29 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 121.936 1.758 . . . . 73.12 113.698 171.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.4 m -68.07 -30.37 69.56 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.733 0.813 . . . . 74.32 111.427 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.42 HD13 HG12 ' B' ' 111' ' ' VAL . 67.3 mt -58.03 -47.61 82.56 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.526 0.73 . . . . 75.12 110.262 171.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -67.27 -29.89 69.62 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.178 -0.919 . . . . 71.43 111.544 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.442 ' HB3' HG13 ' B' ' 50' ' ' ILE . 16.3 mm-40 -63.84 -41.25 97.86 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.042 0.537 . . . . 73.1 111.209 174.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.507 HD23 HG23 ' B' ' 50' ' ' ILE . 95.0 mt -66.02 -35.78 81.49 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.832 -0.622 . . . . 64.4 110.216 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 81.2 mt -67.07 -40.97 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 123.723 0.809 . . . . 63.01 110.524 175.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.31 -46.19 84.65 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.612 0.765 . . . . 63.25 110.673 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.04 -35.42 78.24 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.71 0.804 . . . . 73.44 111.728 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.506 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -70.16 -37.32 75.17 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.231 0.613 . . . . 62.41 111.601 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.73 -35.95 67.65 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.496 0.719 . . . . 61.53 110.163 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -70.0 -39.83 75.65 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.021 0.928 . . . . 73.21 111.548 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 94.0 mt -98.87 -2.92 36.53 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.398 0.679 . . . . 74.23 111.523 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 22.8 t0 55.07 40.89 32.07 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.457 1.503 . . . . 75.53 111.742 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.653 HD13 ' SG ' ' B' ' 58' ' ' CYS . 37.5 mt -87.06 86.79 2.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.104 -1.073 . . . . 73.22 108.104 173.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -60.5 -38.77 60.93 Favored Pre-proline 0 CA--C 1.56 1.345 0 CA-C-N 114.581 -1.19 . . . . 33.43 112.447 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -47.34 -56.38 3.11 Favored 'Trans proline' 0 C--N 1.401 3.332 0 C-N-CA 122.655 2.236 . . . . 61.31 114.152 170.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.5 tm? -67.93 -41.58 82.34 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.036 -0.529 . . . . 73.22 109.781 -176.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.437 ' HB2' ' HB1' ' B' ' 95' ' ' ALA . 45.2 tp -58.89 -44.21 91.11 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.086 0.866 . . . . 73.12 110.744 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -69.16 -43.84 73.48 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.747 0.819 . . . . 70.2 110.808 -175.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.73 -36.01 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.053 0.541 . . . . 75.32 111.429 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.5 m -70.52 -37.83 74.17 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.67 0.388 . . . . 64.1 109.999 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.57 -30.16 68.87 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.436 0.694 . . . . 64.43 110.853 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.56 -47.92 62.04 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.603 -0.517 . . . . 74.14 109.603 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' THR . . . . . 0.405 ' O ' ' HG3' ' B' ' 114' ' ' MET . 89.9 m -58.36 -51.56 69.29 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.838 0.711 . . . . 34.23 111.728 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.42 HG12 HD13 ' B' ' 88' ' ' LEU . 35.1 m -64.77 -33.5 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 123.514 0.509 . . . . 74.13 110.942 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.33 86.57 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 123.646 0.591 . . . . 74.43 110.609 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -69.28 -25.7 64.38 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.266 0.626 . . . . 71.04 111.855 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' MET . . . . . 0.421 ' HE2' ' HB2' ' B' ' 114' ' ' MET . 41.3 mtm -75.26 -48.77 21.73 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.53 0.332 . . . . 60.25 110.302 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 19.0 pt -77.87 -31.83 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 116.013 -0.54 . . . . 71.12 111.729 -174.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 . . . . . 0 N--CA 1.48 1.034 0 C-N-CA 123.41 0.684 . . . . 73.54 110.941 177.421 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 109.025 -0.732 . . . . 73.24 109.025 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 m -107.99 138.11 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.951 0.901 . . . . 64.52 108.947 172.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.583 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 58.4 mttp -93.84 118.48 31.5 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.998 0.919 . . . . 72.24 110.101 -175.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -118.11 103.42 9.86 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.542 -0.91 . . . . 72.54 108.542 174.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' A' ' 13' ' ' VAL . 3.1 mp0 -70.74 143.65 51.2 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.08 -0.711 . . . . 74.23 109.08 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.7 p -88.77 174.05 8.21 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.159 -0.682 . . . . 62.24 109.159 171.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -62.22 -23.36 66.6 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.431 0.693 . . . . 74.33 110.33 170.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 23.0 t70 -86.61 6.47 30.77 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 125.081 1.352 . . . . 74.05 111.35 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 73.03 5.74 5.21 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.102 1.361 . . . . 74.3 113.668 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -84.25 123.82 30.54 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.52 0.328 . . . . 64.22 110.163 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.563 HG22 ' HG3' ' A' ' 7' ' ' GLU . 59.4 t -81.7 116.84 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.321 1.048 . . . . 44.31 109.627 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -106.01 101.49 10.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.551 0.741 . . . . 75.51 110.167 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.583 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 35.8 mt-10 -90.13 93.89 9.56 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.146 -0.933 . . . . 73.02 109.39 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.669 HD12 ' HB3' ' A' ' 55' ' ' LEU . 8.4 tt -99.22 156.97 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.652 0.781 . . . . 74.12 109.044 177.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.92 132.56 54.34 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.477 0.711 . . . . 74.41 109.63 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -61.11 -32.61 72.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.506 1.122 . . . . 72.41 111.983 -172.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.07 -34.58 77.96 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.131 0.572 . . . . 74.4 111.641 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 59' ' ' ARG . 33.6 mt -81.08 -29.93 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.444 0.698 . . . . 71.32 110.322 -177.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -20.71 65.65 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.464 0.706 . . . . 63.04 111.877 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.9 m -69.15 -23.34 63.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.793 0.837 . . . . 54.44 112.172 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.661 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 84.0 mtp -66.13 -33.85 76.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.187 0.595 . . . . 55.02 111.142 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.57 ' HA ' HG12 ' A' ' 100' ' ' ILE . 35.6 t -73.87 111.6 9.18 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.638 -1.245 . . . . 61.35 107.638 168.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.91 -43.64 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 123.727 0.642 . . . . 74.41 110.768 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.3 m -61.63 -52.08 65.85 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.278 0.631 . . . . 42.04 112.1 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.15 -45.1 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.877 0.471 . . . . 75.31 110.101 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -56.22 -53.31 58.66 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.163 0.985 . . . . 72.44 110.806 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.05 -38.62 83.35 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.949 0.78 . . . . 71.13 111.245 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.7 mtm -68.58 -39.61 80.9 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.509 0.505 . . . . 73.55 111.31 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.83 -41.74 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.632 -0.507 . . . . 71.2 109.632 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -72.07 -32.22 66.85 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.935 0.894 . . . . 70.42 111.656 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.94 -37.28 78.79 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.236 1.014 . . . . 73.13 110.32 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -80.36 -28.17 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 CA-C-N 115.24 -0.891 . . . . 41.33 109.964 174.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 -63.09 0.37 Allowed Glycine 0 C--N 1.343 0.935 0 N-CA-C 109.822 -1.311 . . . . 71.23 109.822 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -163.79 99.08 0.88 Allowed 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 107.543 -1.28 . . . . 74.23 107.543 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.1 t -79.64 103.67 9.71 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 122.77 0.428 . . . . 32.44 110.098 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -74.17 -27.77 60.98 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.593 0.757 . . . . 73.31 109.383 169.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.0 m -71.1 149.19 94.55 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-N 114.551 -1.204 . . . . 75.25 110.546 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 74.1 Cg_endo -70.76 144.81 49.68 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.657 2.238 . . . . 75.13 112.391 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.22 102.12 45.04 Favored Pre-proline 0 CA--C 1.55 0.971 0 N-CA-C 108.375 -0.972 . . . . 63.0 108.375 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.98 120.05 6.76 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.818 2.345 . . . . 74.3 111.161 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.493 HD13 HD21 ' A' ' 98' ' ' LEU . 67.5 mt -99.55 93.36 2.27 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 124.825 1.25 . . . . 63.41 109.141 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -83.83 -1.09 9.91 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.945 2.43 . . . . 64.2 114.373 -170.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -89.23 -40.11 13.07 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.016 0.436 . . . . 75.52 110.373 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG11 HD13 ' A' ' 51' ' ' LEU . 12.1 p -90.79 136.42 24.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 122.959 0.504 . . . . 62.32 110.269 -174.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.9 p -81.54 166.26 20.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.631 0.772 . . . . 61.32 110.218 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.541 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 63.7 p -66.83 -44.13 81.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.088 0.555 . . . . 74.31 112.133 -171.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.6 m -57.38 -40.9 79.16 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 124.243 0.964 . . . . 53.35 110.958 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.612 HG23 HD23 ' A' ' 91' ' ' LEU . 49.6 mm -78.22 -44.12 27.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.262 -0.881 . . . . 53.4 110.778 -176.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.429 HD13 HG11 ' A' ' 46' ' ' VAL . 29.0 tp -64.14 -37.03 85.97 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.977 -0.379 . . . . 65.4 109.977 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.32 -54.88 41.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.509 1.123 . . . . 65.31 111.325 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.81 -31.23 51.6 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.881 -1.054 . . . . 74.33 111.72 -170.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.12 -44.75 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.553 0.741 . . . . 72.04 110.082 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.669 ' HB3' HD12 ' A' ' 16' ' ' ILE . 66.2 mt -65.31 -36.39 83.9 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 123.515 0.51 . . . . 72.41 110.901 177.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -75.37 -32.15 60.73 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.158 0.583 . . . . 73.41 111.585 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -64.37 -48.23 76.27 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.037 -0.727 . . . . 65.35 109.037 173.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 80.9 m -60.51 -33.88 73.29 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 115.127 -0.942 . . . . 61.33 110.569 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.512 ' HA ' HD13 ' A' ' 20' ' ' ILE . 40.1 ttm105 -58.44 -52.44 65.62 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 123.191 0.596 . . . . 74.34 110.586 175.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -61.23 -41.55 97.07 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.695 0.622 . . . . 61.32 111.359 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -73.11 -22.87 60.47 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.23 0.612 . . . . 74.22 110.627 -176.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.661 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 39.9 t60 -76.9 -45.4 28.17 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.793 0.837 . . . . 73.11 110.084 176.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -69.4 -37.0 77.3 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.175 0.99 . . . . 75.23 110.501 -178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 123.83 0.852 . . . . 75.31 109.011 179.16 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.3 mm . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 109.614 -0.513 . . . . 74.15 109.614 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.44 153.52 35.17 Favored 'Trans proline' 0 C--N 1.381 2.275 0 C-N-CA 123.008 2.472 . . . . 61.21 111.319 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -59.73 -61.21 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.287 0 C-N-CA 122.851 2.367 . . . . 64.35 113.082 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -60.43 -42.17 95.52 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.383 0.673 . . . . 74.33 111.144 -177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -28.7 67.54 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.69 0.796 . . . . 54.44 111.296 -173.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HG2' ' HE3' ' A' ' 82' ' ' LYS . 67.9 ttt180 -70.85 -45.19 64.92 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.988 0.515 . . . . 73.33 109.614 173.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -69.42 -23.52 63.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 115.56 -0.746 . . . . 74.21 111.308 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.1 -41.12 95.25 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.231 1.012 . . . . 72.13 110.25 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.2 m -70.21 -24.36 63.09 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.486 -0.779 . . . . 74.45 110.978 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.403 ' HE3' ' HG2' ' A' ' 78' ' ' ARG . 90.8 mttt -76.77 86.16 3.38 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 123.151 0.58 . . . . 72.01 109.712 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.1 m -132.49 162.95 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.883 0.873 . . . . 72.43 110.381 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -69.25 161.04 30.07 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.965 0.906 . . . . 64.3 109.069 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -57.91 -48.48 97.05 Favored Pre-proline 0 CA--C 1.572 1.798 0 CA-C-O 118.299 -0.857 . . . . 72.13 112.799 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.99 -40.0 22.23 Favored 'Trans proline' 0 C--N 1.397 3.123 0 C-N-CA 121.67 1.58 . . . . 72.41 111.917 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.4 m -63.21 -29.85 71.11 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.682 1.193 . . . . 63.23 111.513 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.49 -45.06 76.97 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.058 0.943 . . . . 72.34 109.471 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.471 ' HD2' HD13 ' B' ' 115' ' ' ILE . 22.1 m-85 -70.98 -30.07 66.23 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.559 -0.746 . . . . 72.53 110.94 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.542 ' HB3' HG13 ' A' ' 50' ' ' ILE . 21.0 mm-40 -60.62 -38.84 86.08 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.442 0.697 . . . . 74.44 110.871 171.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.612 HD23 HG23 ' A' ' 50' ' ' ILE . 82.7 mt -64.62 -38.43 90.99 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.273 0.629 . . . . 65.12 110.995 175.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.447 HG22 ' SG ' ' B' ' 108' ' ' CYS . 39.2 mt -67.23 -41.33 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.169 0.588 . . . . 72.13 110.191 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.88 -39.59 94.56 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.692 0.797 . . . . 73.25 110.837 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.98 -35.27 62.06 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.517 0.727 . . . . 43.01 111.634 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.535 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.3 -29.19 63.62 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.272 0.629 . . . . 75.32 111.245 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -75.95 -49.35 17.98 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.003 0.921 . . . . 73.53 109.621 172.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.411 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 65.7 t80 -60.15 -41.07 91.96 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.478 1.111 . . . . 70.23 112.212 -176.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.493 HD21 HD13 ' A' ' 43' ' ' LEU . 88.3 mt -94.83 -12.33 27.19 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.859 0.864 . . . . 75.44 111.148 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 50.32 73.91 0.25 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.215 1.406 . . . . 55.43 111.231 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.57 HG12 ' HA ' ' A' ' 24' ' ' SER . 34.4 mt -119.32 108.61 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 108.224 -1.028 . . . . 72.11 108.224 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -58.41 -48.22 97.36 Favored Pre-proline 0 CA--C 1.565 1.537 0 CA-C-O 117.847 -1.073 . . . . 75.42 112.816 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -55.29 -45.2 42.03 Favored 'Trans proline' 0 C--N 1.402 3.363 0 C-N-CA 122.257 1.971 . . . . 72.3 113.379 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.535 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -65.72 -52.71 49.05 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.276 0.63 . . . . 74.52 109.326 -176.384 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.34 -48.15 83.0 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 124.421 1.076 . . . . 64.55 110.803 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.85 -50.81 69.45 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.243 0.964 . . . . 64.34 110.973 -175.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.14 -43.93 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 123.46 0.704 . . . . 73.12 111.075 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.3 m -71.82 -31.73 66.83 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 123.411 0.684 . . . . 73.53 111.473 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.47 ' SG ' HG22 ' B' ' 92' ' ' ILE . 71.1 m -73.22 -31.63 64.27 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.513 0.725 . . . . 64.21 110.316 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.77 -31.28 61.73 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.384 0.674 . . . . 51.21 110.239 175.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.405 ' O ' ' HG3' ' A' ' 114' ' ' MET . 48.2 m -60.51 -52.41 65.29 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.967 0.507 . . . . 75.42 110.729 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.88 -33.62 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 122.837 0.455 . . . . 72.11 111.488 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.83 78.74 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.251 0.62 . . . . 75.1 110.965 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -72.99 -31.71 64.68 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.474 0.71 . . . . 52.3 111.205 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 110' ' ' THR . 50.9 mtm -66.1 -39.4 89.95 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.316 0.385 . . . . 71.12 110.795 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.498 HD13 ' HD2' ' B' ' 89' ' ' PHE . 50.7 pt -89.26 -7.73 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 116.156 -0.474 . . . . 75.34 111.993 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -83.94 86.54 7.16 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.812 -0.44 . . . . 75.34 109.812 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 CA-C-O 119.413 -0.66 . . . . 64.34 111.974 178.269 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.3 p . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.766 0.317 . . . . 62.25 110.407 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.9 mt -104.0 141.2 36.59 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.73 0.812 . . . . 73.21 109.146 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.7 m -107.33 137.5 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.842 0.857 . . . . 75.32 109.194 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.573 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 58.3 mttp -93.48 118.24 31.08 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.963 0.905 . . . . 73.51 110.141 -175.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.97 103.72 10.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.434 -0.95 . . . . 73.43 108.434 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.538 ' HG3' HG22 ' B' ' 13' ' ' VAL . 3.1 mp0 -71.09 144.42 50.32 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.143 -0.688 . . . . 71.42 109.143 173.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.5 p -89.75 174.52 7.67 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.105 -0.702 . . . . 64.14 109.105 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -62.4 -23.49 66.86 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.687 -0.688 . . . . 75.12 110.296 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.536 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 23.9 t70 -85.79 4.87 35.03 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 125.261 1.425 . . . . 72.23 111.455 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 72.32 8.74 5.83 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.943 1.297 . . . . 75.44 113.466 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.19 123.78 31.85 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 110.054 -0.35 . . . . 72.45 110.054 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.538 HG22 ' HG3' ' B' ' 7' ' ' GLU . 61.5 t -81.42 117.2 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.194 0.997 . . . . 62.24 109.845 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.89 100.97 10.44 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.521 0.728 . . . . 74.15 110.12 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.573 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.6 mt-10 -89.75 94.1 9.71 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.178 -0.919 . . . . 61.51 109.154 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.666 HD12 ' HB3' ' B' ' 55' ' ' LEU . 8.3 tt -99.22 157.16 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 N-CA-C 108.966 -0.753 . . . . 53.41 108.966 177.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.17 132.85 55.22 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.348 0.659 . . . . 72.22 109.724 176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.92 -33.42 73.12 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.403 1.081 . . . . 74.12 111.662 -171.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.79 -35.5 80.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.337 0.655 . . . . 64.33 111.439 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' B' ' 59' ' ' ARG . 33.0 mt -80.77 -29.79 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 123.185 0.594 . . . . 71.3 110.181 -177.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.18 -20.65 65.6 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.469 0.708 . . . . 72.0 111.865 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 56.3 m -69.09 -24.08 64.09 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.667 0.787 . . . . 72.11 112.047 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' MET . . . . . 0.659 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 85.3 mtp -65.49 -34.0 77.25 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.134 0.574 . . . . 73.25 111.256 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.575 ' HA ' HG12 ' B' ' 100' ' ' ILE . 35.3 t -73.57 112.07 9.31 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 107.556 -1.275 . . . . 75.44 107.556 168.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.48 -43.78 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.749 0.655 . . . . 61.34 110.717 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 92.9 m -61.43 -52.38 64.82 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.235 0.614 . . . . 54.54 111.986 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 70.2 mt -61.0 -44.96 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.826 0.45 . . . . 74.24 110.135 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -56.29 -53.23 59.66 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.077 0.951 . . . . 42.44 110.59 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -59.68 -38.92 82.86 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 124.035 0.834 . . . . 54.45 111.197 -176.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 73.3 mtm -68.6 -40.23 80.54 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 123.744 0.652 . . . . 74.14 111.291 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.16 -42.22 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 109.671 -0.492 . . . . 74.23 109.671 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -72.18 -31.86 66.31 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.074 0.95 . . . . 31.3 111.627 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.57 -36.51 76.35 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.296 1.038 . . . . 74.21 110.433 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -80.91 -27.85 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 CA-C-N 115.006 -0.997 . . . . 65.11 109.751 173.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.9 -63.83 0.34 Allowed Glycine 0 C--N 1.343 0.946 0 N-CA-C 109.942 -1.263 . . . . 75.13 109.942 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -162.98 97.38 0.93 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.494 1.117 . . . . 61.52 108.087 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 34.4 t -77.88 103.67 7.96 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.881 0.472 . . . . 41.13 110.561 -177.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -74.5 -26.52 60.05 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.629 0.771 . . . . 60.44 109.662 170.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.9 m -72.49 148.58 90.62 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 124.592 1.157 . . . . 54.15 110.628 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' PRO . . . . . 0.49 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 67.9 Cg_endo -69.99 144.11 51.78 Favored 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.775 2.317 . . . . 75.0 112.439 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mp -107.42 101.89 41.41 Favored Pre-proline 0 CA--C 1.552 1.037 0 N-CA-C 108.565 -0.902 . . . . 61.32 108.565 177.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.9 119.06 6.04 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.887 2.391 . . . . 62.13 111.268 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.497 HD13 HD21 ' B' ' 98' ' ' LEU . 69.3 mt -98.97 92.9 1.78 Allowed Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 124.732 1.213 . . . . 71.3 109.299 176.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -83.62 -1.27 10.07 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.947 2.431 . . . . 74.34 114.283 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -88.93 -39.21 13.92 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.505 0.322 . . . . 64.51 110.433 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.417 HG11 HD13 ' B' ' 51' ' ' LEU . 11.9 p -91.57 136.68 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.075 0.55 . . . . 60.22 110.371 -174.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.0 p -81.46 166.01 20.72 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.472 0.709 . . . . 75.44 110.261 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.536 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.8 p -66.26 -44.06 84.7 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.016 0.526 . . . . 43.13 112.192 -172.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 35.5 m -56.55 -42.19 78.1 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.239 0.962 . . . . 42.3 111.105 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.614 HG23 HD23 ' B' ' 91' ' ' LEU . 49.7 mm -77.8 -43.94 28.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 114.968 -1.014 . . . . 74.53 110.74 -175.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.417 HD13 HG11 ' B' ' 46' ' ' VAL . 28.9 tp -64.42 -36.43 84.13 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 110.005 -0.369 . . . . 55.42 110.005 -178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.46 -54.37 47.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.285 1.034 . . . . 72.31 111.204 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -31.49 53.06 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.827 -1.079 . . . . 62.34 111.717 -170.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.28 -44.89 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.558 0.743 . . . . 64.43 110.174 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.666 ' HB3' HD12 ' B' ' 16' ' ' ILE . 69.7 mt -65.26 -36.31 83.73 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 122.879 0.472 . . . . 74.32 110.99 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -75.4 -32.26 60.71 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.042 0.537 . . . . 71.34 111.48 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -64.07 -48.47 76.11 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 109.017 -0.734 . . . . 75.2 109.017 172.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 80.1 m -60.16 -33.94 72.88 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 115.058 -0.973 . . . . 74.44 110.632 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.513 ' HA ' HD13 ' B' ' 20' ' ' ILE . 40.5 ttm105 -58.38 -52.77 64.2 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 123.102 0.561 . . . . 72.44 110.65 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -61.5 -41.35 97.15 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.666 0.604 . . . . 75.4 111.259 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -72.64 -22.59 60.92 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.233 0.613 . . . . 74.23 110.835 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' HIS . . . . . 0.659 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 42.4 t60 -77.74 -43.81 29.73 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.884 0.874 . . . . 74.11 110.087 176.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.68 -35.84 73.0 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.116 0.966 . . . . 62.32 110.796 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 C--O 1.24 0.582 0 C-N-CA 124.116 0.967 . . . . 71.53 108.938 178.958 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.7 mm . . . . . 0 CA--C 1.55 0.958 0 N-CA-C 109.732 -0.47 . . . . 72.31 109.732 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.19 154.44 37.01 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.063 2.509 . . . . 54.2 111.444 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -61.29 -60.31 0.24 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.931 2.421 . . . . 64.15 112.931 -172.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.17 -42.2 94.47 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.507 0.723 . . . . 74.52 111.446 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -29.3 67.97 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.005 0.922 . . . . 73.24 111.242 -173.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.4 ' HG2' ' HE3' ' B' ' 82' ' ' LYS . 68.3 ttt180 -70.36 -45.29 66.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.076 0.551 . . . . 70.25 109.92 173.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.5 -23.33 63.61 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.447 -0.797 . . . . 70.4 111.381 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -65.13 -41.34 94.91 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.046 0.938 . . . . 63.43 110.201 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 59.3 m -69.98 -24.47 63.32 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.338 -0.846 . . . . 75.21 110.94 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.4 ' HE3' ' HG2' ' B' ' 78' ' ' ARG . 90.6 mttt -76.8 87.38 3.4 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 109.53 -0.544 . . . . 73.3 109.53 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 10.4 m -132.4 165.46 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.987 0.915 . . . . 65.12 110.421 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -71.21 161.41 31.14 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.957 0.903 . . . . 64.13 108.996 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -57.72 -48.63 96.87 Favored Pre-proline 0 CA--C 1.569 1.678 0 CA-C-O 118.405 -0.807 . . . . 62.32 112.642 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.73 -39.5 20.28 Favored 'Trans proline' 0 C--N 1.397 3.096 0 C-N-CA 121.521 1.481 . . . . 33.21 112.056 173.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 15.3 m -63.32 -29.88 71.11 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.667 1.187 . . . . 64.21 111.487 -177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tt -67.58 -45.0 76.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.129 0.972 . . . . 42.11 109.464 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.498 ' HD2' HD13 ' A' ' 115' ' ' ILE . 22.0 m-85 -70.95 -29.97 66.13 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.56 -0.745 . . . . 73.14 111.152 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.543 ' HB3' HG13 ' B' ' 50' ' ' ILE . 20.2 mm-40 -60.43 -39.08 86.2 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.597 0.759 . . . . 72.21 111.153 171.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.614 HD23 HG23 ' B' ' 50' ' ' ILE . 83.2 mt -64.54 -38.64 91.71 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.116 0.567 . . . . 61.23 110.931 175.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.47 HG22 ' SG ' ' A' ' 108' ' ' CYS . 39.7 mt -66.9 -41.16 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.167 0.587 . . . . 73.1 110.273 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.11 -39.46 94.09 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.62 0.768 . . . . 53.01 110.944 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.08 -35.48 61.8 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.555 0.742 . . . . 75.1 111.483 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.549 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -71.93 -29.25 64.09 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.344 0.658 . . . . 44.22 111.289 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -76.65 -48.16 19.9 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.12 0.968 . . . . 75.21 110.019 173.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' TYR . . . . . 0.407 ' HE1' ' HB3' ' B' ' 43' ' ' LEU . 68.0 t80 -60.62 -41.67 95.32 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.477 1.111 . . . . 73.05 111.907 -176.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.497 HD21 HD13 ' B' ' 43' ' ' LEU . 88.6 mt -94.39 -12.65 27.47 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.651 0.78 . . . . 75.44 111.09 -178.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 33.5 t70 50.14 74.98 0.19 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.261 1.424 . . . . 71.34 111.179 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.575 HG12 ' HA ' ' B' ' 24' ' ' SER . 34.0 mt -120.11 108.17 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 108.063 -1.088 . . . . 54.52 108.063 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.01 -48.45 97.07 Favored Pre-proline 0 CA--C 1.566 1.577 0 CA-C-O 117.851 -1.071 . . . . 70.41 112.782 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -55.22 -44.84 45.25 Favored 'Trans proline' 0 C--N 1.401 3.29 0 C-N-CA 122.38 2.053 . . . . 75.3 113.519 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.549 HD12 ' HB2' ' B' ' 95' ' ' ALA . 0.3 OUTLIER -66.14 -52.26 50.03 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.306 0.642 . . . . 72.33 109.409 -176.545 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 42.5 tp -60.58 -48.89 79.79 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.32 1.048 . . . . 75.14 110.81 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.1 -50.68 70.97 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.355 1.034 . . . . 71.02 111.016 -175.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 42.6 t -58.21 -43.9 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.591 0.756 . . . . 73.24 111.247 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.8 m -71.99 -31.5 66.3 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.514 0.726 . . . . 65.4 111.451 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.447 ' SG ' HG22 ' A' ' 92' ' ' ILE . 71.3 m -73.46 -31.49 63.81 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.58 0.752 . . . . 62.01 110.314 176.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.13 -31.57 61.14 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.439 0.696 . . . . 75.35 110.136 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 51.2 m -60.06 -52.28 66.04 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.897 0.479 . . . . 72.24 110.867 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 31.6 m -64.12 -33.71 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.83 0.452 . . . . 74.23 111.435 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.33 77.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.264 0.626 . . . . 43.44 110.87 177.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.91 -32.11 65.1 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.605 0.762 . . . . 71.41 111.361 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 46.9 mtm -66.01 -39.66 90.44 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.563 0.539 . . . . 72.14 110.67 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.471 HD13 ' HD2' ' A' ' 89' ' ' PHE . 48.5 pt -88.92 -8.2 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 116.077 -0.51 . . . . 65.34 111.977 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.697 -0.483 . . . . 72.21 109.697 -177.843 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 110.335 -0.246 . . . . 52.35 110.335 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 m -85.29 120.91 36.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 108.877 -0.786 . . . . 72.52 108.877 170.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.544 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 91.1 mttt -84.24 121.67 27.8 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.991 -1.004 . . . . 65.44 108.861 -176.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.9 mt -118.86 104.01 10.15 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.982 0.513 . . . . 72.55 109.74 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG3' HG22 ' A' ' 13' ' ' VAL . 3.0 mp0 -72.74 143.97 47.79 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.136 -0.69 . . . . 75.24 109.136 169.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.4 p -92.15 -177.16 4.59 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 115.277 -0.874 . . . . 72.01 110.112 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.9 p -66.77 -26.08 66.8 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.087 0.555 . . . . 74.3 110.049 168.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -83.26 -4.47 58.46 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.606 1.162 . . . . 71.12 110.808 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 75.27 -1.16 3.12 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 125.816 1.646 . . . . 72.51 114.054 172.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -72.54 132.92 44.44 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.464 0.575 . . . . 72.34 109.68 173.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG22 ' HG3' ' A' ' 7' ' ' GLU . 43.3 t -84.33 138.81 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.648 1.179 . . . . 51.15 110.395 -174.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -130.33 101.46 5.77 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.803 0.841 . . . . 74.25 109.258 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.544 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 29.7 mt-10 -86.48 87.09 7.37 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.029 -0.987 . . . . 74.24 109.391 -175.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.612 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.7 tt -99.29 152.25 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.514 0.725 . . . . 71.32 109.483 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' HB3' ' OE2' ' A' ' 19' ' ' GLU . 34.0 mp0 -60.19 135.35 57.7 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.856 0.863 . . . . 74.05 109.945 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.34 -43.22 95.31 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.262 0.625 . . . . 74.41 111.574 -173.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.419 ' OE2' ' HB3' ' A' ' 17' ' ' GLU . 2.8 pm0 -57.11 -30.01 64.02 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.873 0.869 . . . . 74.45 112.211 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.559 HD13 ' HA ' ' A' ' 59' ' ' ARG . 36.8 mt -77.43 -42.02 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.466 0.706 . . . . 45.0 109.79 176.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.79 -2.39 17.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.992 0.917 . . . . 72.14 112.59 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.2 m -74.09 -23.45 59.33 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.503 0.721 . . . . 71.4 111.979 175.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.2 mtm -69.48 -25.01 63.86 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 120.719 0.295 . . . . 62.33 110.765 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 t -74.54 99.1 3.51 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.633 -1.247 . . . . 72.32 107.633 166.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.1 -35.32 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 123.57 0.544 . . . . 74.13 110.804 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.7 m -60.95 -53.17 60.51 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.369 0.668 . . . . 75.44 111.615 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.6 mt -66.6 -39.44 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 123.287 0.635 . . . . 75.45 109.985 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -57.37 -49.49 76.0 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.062 0.945 . . . . 74.44 110.593 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -64.58 -36.13 83.25 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.484 0.714 . . . . 74.31 111.113 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.97 -42.95 97.11 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.311 0.645 . . . . 72.41 110.92 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.425 HG23 ' H ' ' A' ' 37' ' ' SER . 79.8 mt -67.49 -47.39 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 115.679 -0.692 . . . . 63.12 110.357 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.82 -37.31 81.57 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.25 1.02 . . . . 65.34 111.506 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.47 -45.07 92.69 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.211 1.004 . . . . 62.13 110.904 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -88.97 -11.85 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 114.843 -1.071 . . . . 63.12 110.744 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.15 -76.53 0.45 Allowed Glycine 0 C--N 1.344 1.028 0 N-CA-C 109.92 -1.272 . . . . 14.21 109.92 -173.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -143.19 103.15 4.1 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.47 1.108 . . . . 64.35 108.837 171.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.425 ' H ' HG23 ' A' ' 31' ' ' ILE . 49.2 m -68.2 101.87 1.25 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.892 0.877 . . . . 64.42 111.011 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -83.9 -32.08 25.33 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.647 0.779 . . . . 63.05 110.473 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.5 p -72.57 139.96 81.37 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.421 -0.809 . . . . 70.42 109.776 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.5 142.68 89.49 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.795 2.33 . . . . 70.42 113.124 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.41 105.94 36.26 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 108.616 -0.883 . . . . 62.43 108.616 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.403 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.1 Cg_exo -76.83 126.68 8.96 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.109 2.539 . . . . 74.31 110.969 174.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.7 mt -112.16 94.17 24.88 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 124.112 0.965 . . . . 63.33 110.274 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -83.09 69.57 7.03 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 123.269 2.646 . . . . 74.23 112.527 -177.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -166.75 -66.58 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.329 -0.85 . . . . 64.13 108.819 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.53 124.38 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.485 -0.779 . . . . 70.12 110.596 -176.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.1 p -71.29 167.46 19.41 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.512 0.725 . . . . 73.32 110.727 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.3 p -66.55 -38.68 87.63 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.006 0.522 . . . . 75.24 111.56 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.3 m -63.78 -47.58 80.38 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.623 0.769 . . . . 75.3 110.804 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.588 HG23 HD23 ' A' ' 91' ' ' LEU . 48.4 mm -71.33 -46.05 66.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 115.313 -0.858 . . . . 73.54 110.431 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.7 tp -59.73 -38.07 80.7 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.68 0.792 . . . . 74.23 110.604 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -58.58 -51.02 71.66 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.973 0.796 . . . . 71.45 110.078 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -65.52 -47.72 74.96 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 124.083 0.864 . . . . 44.53 112.056 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.6 t -61.39 -46.7 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.665 0.786 . . . . 73.53 110.54 -176.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.612 ' HB3' HD12 ' A' ' 16' ' ' ILE . 78.0 mt -65.8 -44.39 85.84 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.917 0.487 . . . . 74.11 110.946 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.45 -37.62 84.24 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.151 0.98 . . . . 72.21 111.079 -176.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD1' HD23 ' A' ' 103' ' ' LEU . 57.9 t80 -66.54 -46.36 76.39 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.589 -0.732 . . . . 73.45 109.932 174.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.578 ' SG ' HG21 ' A' ' 100' ' ' ILE . 93.1 m -60.33 -31.93 70.76 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.703 -0.68 . . . . 64.41 111.396 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.559 ' HA ' HD13 ' A' ' 20' ' ' ILE . 37.7 mtp180 -61.27 -44.16 97.69 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.784 -0.45 . . . . 74.2 109.784 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.79 -41.56 91.8 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.628 -0.715 . . . . 72.3 110.996 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -71.53 -20.55 62.03 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.146 0.578 . . . . 74.0 111.405 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.444 ' CG ' HG12 ' A' ' 20' ' ' ILE . 77.3 t60 -78.39 -41.09 34.17 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.989 -0.375 . . . . 72.42 109.989 174.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 12.3 mm100 -70.43 -27.76 64.52 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.715 -0.675 . . . . 73.44 110.317 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 CA--C 1.546 0.814 0 C-N-CA 124.036 0.934 . . . . 64.24 108.755 174.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.424 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 39.9 mm . . . . . 0 CA--C 1.555 1.147 0 CA-C-O 119.809 -0.138 . . . . 74.32 110.629 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 73' ' ' ILE . 9.6 Cg_endo -52.46 140.73 53.39 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.096 2.531 . . . . 70.22 112.663 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 89.0 Cg_exo -49.85 -35.84 41.1 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 123.688 2.926 . . . . 75.21 114.809 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -58.28 -49.56 76.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.75 0.42 . . . . 71.1 111.37 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.71 -30.97 68.72 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.952 0.901 . . . . 74.2 111.192 -172.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -72.51 -50.18 27.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.192 0.997 . . . . 73.12 110.4 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.458 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 12.4 m-20 -77.64 -14.26 59.68 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.289 1.435 . . . . 71.05 112.481 -176.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.455 ' CE2' HD21 ' A' ' 103' ' ' LEU . 71.3 t80 -52.93 -35.94 59.14 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.31 0.644 . . . . 72.22 110.49 171.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.2 m -68.63 -18.16 64.25 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.776 1.23 . . . . 42.24 112.367 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 34.9 mmtp -74.61 79.99 1.99 Allowed 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.485 0.66 . . . . 74.35 110.253 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -138.84 162.68 28.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 C-N-CA 124.776 1.23 . . . . 61.04 108.751 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -64.28 157.7 25.31 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.719 0.808 . . . . 75.54 110.157 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -54.28 51.93 Favored Pre-proline 0 CA--C 1.571 1.767 0 C-N-CA 123.864 0.866 . . . . 72.02 112.004 -169.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.412 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 57.9 Cg_endo -69.19 -31.63 22.63 Favored 'Trans proline' 0 C--N 1.393 2.869 0 CA-C-N 121.1 1.429 . . . . 54.41 112.379 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.5 m -62.46 -31.07 71.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.449 1.1 . . . . 75.05 111.512 -178.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.55 -41.09 89.19 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.922 0.889 . . . . 63.02 109.688 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -72.45 -29.01 63.29 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.891 -0.595 . . . . 73.4 111.43 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 15.1 mm-40 -61.67 -36.49 81.02 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.662 0.385 . . . . 64.45 110.529 172.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.588 HD23 HG23 ' A' ' 50' ' ' ILE . 97.5 mt -65.36 -37.4 86.91 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.577 0.751 . . . . 71.54 111.153 174.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.3 mt -68.77 -43.91 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 123.301 0.64 . . . . 73.41 110.475 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.24 -38.21 90.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.567 0.747 . . . . 72.31 110.621 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.61 -41.73 68.55 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.638 0.775 . . . . 72.12 111.228 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.14 83.33 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.458 0.703 . . . . 44.13 111.277 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.475 HD21 ' HA ' ' B' ' 105' ' ' ASP . 47.7 t30 -78.62 -37.3 42.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.033 0.833 . . . . 72.52 110.458 177.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.4 -34.73 78.38 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.63 0.772 . . . . 72.54 111.121 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.7 mt -97.36 -13.3 21.96 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.68 0.792 . . . . 70.41 111.264 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 59.3 33.55 22.57 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.473 1.109 . . . . 53.43 111.768 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.578 HG21 ' SG ' ' A' ' 58' ' ' CYS . 31.6 mt -75.31 93.6 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.624 -0.88 . . . . 73.14 108.624 174.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -54.2 -49.96 87.31 Favored Pre-proline 0 CA--C 1.572 1.8 0 C-N-CA 124.345 1.058 . . . . 62.2 111.86 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.9 -50.91 10.13 Favored 'Trans proline' 0 C--N 1.399 3.193 0 C-N-CA 121.629 1.553 . . . . 62.22 113.323 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 57' ' ' TYR . 2.3 tm? -68.13 -39.4 82.72 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.763 0.425 . . . . 73.22 110.263 -176.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.567 HD21 HD21 ' B' ' 104' ' ' LEU . 61.8 tp -57.83 -46.63 84.44 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.769 0.828 . . . . 74.41 110.572 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.512 ' HA ' HD21 ' B' ' 96' ' ' ASN . 19.1 t70 -66.75 -51.69 52.99 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 124.218 0.948 . . . . 74.53 110.381 -174.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.3 t -55.99 -46.87 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 124.01 0.819 . . . . 44.23 111.307 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -70.96 -34.73 71.72 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.412 0.685 . . . . 75.2 111.954 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 91.6 m -72.28 -37.24 69.08 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.971 0.509 . . . . 72.14 110.694 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 105' ' ' ASP . 33.0 mmtp -68.37 -33.34 74.1 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.274 0.63 . . . . 72.32 109.786 177.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.0 m -58.62 -47.78 83.23 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 123.337 0.655 . . . . 74.2 111.11 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.5 t -64.81 -41.82 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 O-C-N 123.399 0.437 . . . . 61.51 110.312 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.84 73.0 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.953 -1.021 . . . . 72.11 111.319 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -81.07 -24.57 37.69 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.299 1.04 . . . . 52.43 111.818 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 47.0 mtm -71.85 -50.28 30.9 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.483 -0.562 . . . . 74.51 109.483 176.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.4 pt -77.48 -30.7 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 115.679 -0.691 . . . . 72.22 110.874 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 55.69 64.31 1.78 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.658 1.183 . . . . 72.31 110.6 -172.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.311 0 CA-C-N 114.395 -1.275 . . . . 61.22 112.653 -178.241 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.53 0.205 . . . . 50.03 110.744 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 91.5 mt -82.36 117.6 22.55 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.134 0.574 . . . . 74.44 110.279 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -84.47 121.63 36.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.975 -0.75 . . . . 73.01 108.975 169.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.554 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 91.0 mttt -85.02 122.3 29.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.969 -1.014 . . . . 75.12 108.714 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.5 mt -119.59 103.99 9.9 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.072 0.549 . . . . 71.22 109.765 -175.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.408 ' HG3' HG22 ' B' ' 13' ' ' VAL . 4.4 mp0 -72.37 142.9 48.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.016 -0.735 . . . . 74.45 109.016 169.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 28.3 p -91.38 -177.37 4.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.287 -0.869 . . . . 65.2 110.128 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 59.4 p -67.19 -23.57 65.77 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.213 0.605 . . . . 70.23 110.252 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -85.75 -4.06 59.06 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.434 1.093 . . . . 52.45 110.864 175.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 75.09 -0.62 3.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.762 1.625 . . . . 74.33 114.133 172.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -73.36 132.77 43.42 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.517 -0.549 . . . . 51.43 109.517 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.408 HG22 ' HG3' ' B' ' 7' ' ' GLU . 43.6 t -83.93 140.11 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.836 1.254 . . . . 75.13 110.25 -175.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -131.28 101.55 5.61 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.714 0.806 . . . . 70.52 109.1 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.554 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 27.3 mt-10 -86.09 86.44 7.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.044 0.937 . . . . 33.42 109.502 -176.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' B' ' 55' ' ' LEU . 12.8 tt -98.37 152.37 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.482 0.713 . . . . 54.13 109.559 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 -60.48 135.71 57.83 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.812 0.845 . . . . 74.23 109.896 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.21 -44.94 90.38 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.257 0.623 . . . . 73.12 111.506 -173.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -55.54 -30.98 61.71 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.175 0.99 . . . . 44.23 111.976 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' B' ' 59' ' ' ARG . 36.9 mt -76.96 -41.92 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 C-N-CA 123.223 0.609 . . . . 74.34 109.893 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.25 -2.83 17.41 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.897 0.879 . . . . 45.24 112.541 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.0 m -72.96 -23.77 60.71 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.295 0.638 . . . . 55.33 112.059 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 70.6 mtm -68.93 -25.44 64.57 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 118.043 0.383 . . . . 54.15 110.826 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.7 t -74.36 99.91 3.63 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.745 -1.206 . . . . 73.51 107.745 166.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.38 -35.45 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.091 0.557 . . . . 73.43 110.814 -175.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.6 m -60.99 -53.15 60.83 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.396 0.679 . . . . 75.14 111.668 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.56 -39.55 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.14 0.576 . . . . 64.01 109.972 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -57.33 -49.64 75.49 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.104 0.962 . . . . 72.15 110.675 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -64.24 -35.54 81.14 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.506 0.723 . . . . 75.12 111.178 -178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 67.0 mtt -64.74 -43.11 94.4 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 123.695 0.622 . . . . 71.23 110.762 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.422 HG23 ' H ' ' B' ' 37' ' ' SER . 79.8 mt -67.79 -46.47 82.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.589 -0.732 . . . . 72.22 110.19 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.29 -38.17 85.84 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.945 0.898 . . . . 75.12 111.354 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.89 -44.89 91.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.443 1.097 . . . . 71.43 110.94 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 60.3 mt -89.49 -9.93 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 124.434 1.094 . . . . 64.22 110.674 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.15 -75.63 0.67 Allowed Glycine 0 C--N 1.344 0.992 0 N-CA-C 110.016 -1.234 . . . . 73.52 110.016 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -143.35 103.02 4.06 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.986 0.914 . . . . 73.4 108.904 171.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.422 ' H ' HG23 ' B' ' 31' ' ' ILE . 43.2 m -68.14 102.03 1.27 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.768 0.827 . . . . 61.1 110.644 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -83.13 -33.43 26.28 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.411 0.684 . . . . 73.32 110.108 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.1 p -71.12 141.05 85.98 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 123.417 0.687 . . . . 74.11 110.01 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.92 140.45 92.08 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.728 2.285 . . . . 33.14 113.271 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.14 105.95 28.07 Favored Pre-proline 0 CA--C 1.554 1.099 0 N-CA-C 108.699 -0.852 . . . . 74.22 108.699 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.24 126.54 8.57 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.956 2.437 . . . . 72.32 110.927 174.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.406 HD13 HD21 ' B' ' 98' ' ' LEU . 79.8 mt -111.95 95.06 27.47 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.18 0.992 . . . . 75.23 110.244 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -83.78 70.93 6.04 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 123.195 2.596 . . . . 61.32 112.256 -177.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -167.89 -66.43 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.364 -0.834 . . . . 62.53 109.061 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.09 124.68 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 115.205 -0.907 . . . . 45.24 110.59 -176.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 78.0 p -71.87 167.68 19.5 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.526 0.731 . . . . 72.5 110.688 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.7 p -67.65 -37.7 82.79 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.829 0.452 . . . . 75.14 111.313 -176.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 19.3 m -62.58 -48.83 77.73 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.922 0.763 . . . . 75.05 110.662 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.623 HG23 HD23 ' B' ' 91' ' ' LEU . 48.2 mm -71.7 -45.39 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 115.275 -0.875 . . . . 54.21 110.414 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 37.8 tp -60.37 -37.89 82.18 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.673 0.789 . . . . 72.21 110.613 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.7 -50.9 72.2 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 123.985 0.803 . . . . 74.03 110.049 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -65.43 -47.92 74.55 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 124.317 1.01 . . . . 72.3 111.82 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.72 -46.82 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.72 0.808 . . . . 72.43 110.498 -175.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.611 ' HB3' HD12 ' B' ' 16' ' ' ILE . 80.9 mt -65.48 -44.27 87.64 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.469 0.481 . . . . 72.43 111.067 177.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.06 -36.65 82.28 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.125 0.97 . . . . 70.52 111.029 -175.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' TYR . . . . . 0.456 ' CD1' HD23 ' B' ' 103' ' ' LEU . 57.6 t80 -67.41 -46.12 74.15 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.528 -0.76 . . . . 74.52 109.907 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.564 ' SG ' HG21 ' B' ' 100' ' ' ILE . 97.6 m -60.65 -32.0 71.19 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.659 -0.7 . . . . 64.11 111.466 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.576 ' HA ' HD13 ' B' ' 20' ' ' ILE . 36.6 mtp-105 -61.65 -43.44 98.84 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.823 -0.436 . . . . 72.22 109.823 176.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -66.14 -41.56 90.29 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.758 -0.655 . . . . 73.01 111.004 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -71.48 -19.58 62.19 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.187 0.595 . . . . 61.44 111.474 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' HIS . . . . . 0.438 ' CG ' HG12 ' B' ' 20' ' ' ILE . 79.8 t60 -79.11 -40.93 29.84 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 110.099 -0.334 . . . . 72.41 110.099 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 12.2 mm100 -71.08 -26.36 63.02 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.835 -0.62 . . . . 70.4 110.735 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 124.088 0.955 . . . . 73.11 108.576 174.609 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ILE . . . . . 0.452 ' HA ' ' HD2' ' B' ' 74' ' ' PRO . 41.1 mm . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 119.873 -0.108 . . . . 62.43 110.839 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' B' ' 73' ' ' ILE . 9.9 Cg_endo -52.33 140.02 53.51 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.191 2.594 . . . . 75.11 112.786 176.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 74' ' ' PRO . 87.7 Cg_exo -49.68 -35.99 39.93 Favored 'Trans proline' 0 C--N 1.386 2.526 0 C-N-CA 123.76 2.973 . . . . 72.32 114.79 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.4 -49.36 77.53 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.684 0.394 . . . . 55.44 111.441 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.65 -31.31 69.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.916 0.886 . . . . 71.24 111.095 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -71.96 -50.1 31.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.315 1.046 . . . . 73.14 110.477 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.494 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 14.8 m-20 -77.57 -14.07 59.75 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.076 1.35 . . . . 73.52 112.527 -176.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.458 ' CE2' HD21 ' B' ' 103' ' ' LEU . 71.3 t80 -53.27 -35.42 60.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.1 0.56 . . . . 53.31 110.669 171.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 53.0 m -69.06 -16.98 63.82 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.793 1.237 . . . . 30.31 112.607 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.494 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 34.6 mmtp -75.49 78.27 2.53 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.333 0.653 . . . . 72.03 110.404 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -136.49 163.38 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.594 1.158 . . . . 74.14 108.867 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.86 157.28 25.05 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.63 0.772 . . . . 63.24 110.073 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -54.72 46.75 Favored Pre-proline 0 CA--C 1.572 1.805 0 C-N-CA 123.943 0.897 . . . . 73.05 111.876 -169.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.46 -30.65 23.34 Favored 'Trans proline' 0 C--N 1.391 2.776 0 CA-C-N 121.066 1.416 . . . . 62.42 112.426 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.2 m -63.14 -30.97 72.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.113 0.965 . . . . 61.42 111.451 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.16 -41.08 90.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.856 0.862 . . . . 75.15 109.596 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -72.2 -29.06 63.61 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.863 -0.608 . . . . 61.31 111.592 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -61.78 -36.52 81.32 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.623 0.369 . . . . 75.21 110.426 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.623 HD23 HG23 ' B' ' 50' ' ' ILE . 97.2 mt -65.72 -37.11 85.53 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.597 0.759 . . . . 74.14 110.937 175.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 58.4 mt -68.88 -44.04 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 123.427 0.691 . . . . 74.3 110.482 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.13 -38.31 90.62 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.534 0.733 . . . . 71.34 110.576 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.34 -41.54 69.66 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.98 0.8 . . . . 42.04 111.245 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.86 82.52 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.617 -0.72 . . . . 74.42 111.283 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' ASN . . . . . 0.512 HD21 ' HA ' ' A' ' 105' ' ' ASP . 45.7 t30 -79.33 -36.83 38.88 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.726 0.81 . . . . 64.21 110.643 178.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -63.06 -36.48 83.71 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.641 0.776 . . . . 64.14 110.838 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.406 HD21 HD13 ' B' ' 43' ' ' LEU . 98.4 mt -96.09 -13.03 23.97 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.756 0.823 . . . . 73.33 111.279 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 59.12 33.44 22.83 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.384 1.074 . . . . 61.23 111.944 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.564 HG21 ' SG ' ' B' ' 58' ' ' CYS . 31.8 mt -75.3 93.76 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.664 -0.865 . . . . 63.52 108.664 174.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -54.24 -49.99 87.2 Favored Pre-proline 0 CA--C 1.57 1.72 0 C-N-CA 124.356 1.063 . . . . 63.32 111.928 -176.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.13 -50.61 10.76 Favored 'Trans proline' 0 C--N 1.397 3.121 0 C-N-CA 121.754 1.636 . . . . 72.13 113.268 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.458 HD21 ' CE2' ' B' ' 80' ' ' PHE . 2.4 tm? -68.27 -39.48 82.16 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.805 0.442 . . . . 72.4 110.126 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.567 HD21 HD21 ' A' ' 104' ' ' LEU . 61.0 tp -57.97 -46.63 84.86 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.626 0.77 . . . . 73.32 110.619 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.475 ' HA ' HD21 ' A' ' 96' ' ' ASN . 19.7 t70 -66.07 -51.81 54.71 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 124.261 0.976 . . . . 73.35 110.582 -175.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 77.9 t -56.32 -46.96 81.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 O-C-N 124.025 0.828 . . . . 40.55 111.128 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.2 m -70.78 -34.47 71.82 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.395 0.678 . . . . 50.34 111.898 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 90.8 m -72.43 -37.53 68.56 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.011 0.524 . . . . 63.43 110.725 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' B' ' 105' ' ' ASP . 32.8 mmtp -68.35 -32.98 73.47 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.175 0.59 . . . . 73.44 109.686 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 92.6 m -58.8 -47.71 83.8 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 123.324 0.65 . . . . 73.42 111.085 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t -65.1 -42.07 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 123.426 0.454 . . . . 74.2 110.092 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.16 -34.57 73.76 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.73 -1.123 . . . . 61.04 111.143 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -80.75 -24.48 38.65 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.211 1.004 . . . . 74.11 111.76 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 49.9 mtm -71.01 -51.27 26.37 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 109.27 -0.641 . . . . 72.5 109.27 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 40.8 pt -76.34 -30.94 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.489 -0.778 . . . . 63.32 110.736 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 . . . . . 0 C--N 1.357 0.898 0 C-N-CA 124.692 1.197 . . . . 75.54 110.484 -171.588 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 109.962 -0.384 . . . . 72.22 109.962 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.5 m -80.01 125.89 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.46 -0.571 . . . . 75.42 109.46 175.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.605 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 89.5 mttt -93.82 110.85 22.48 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.672 -0.862 . . . . 73.52 108.672 -175.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.4 mt -111.09 101.03 9.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.703 0.801 . . . . 63.22 109.25 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -81.72 128.91 34.47 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.516 -0.549 . . . . 75.31 109.516 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.5 p -71.11 -179.49 2.37 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.284 0.634 . . . . 54.01 111.103 172.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.2 p -68.67 -18.44 64.27 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.95 0.5 . . . . 72.43 110.468 169.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 29.4 t70 -91.69 9.86 30.68 Favored 'General case' 0 CA--C 1.564 1.492 0 C-N-CA 124.276 1.03 . . . . 73.24 110.591 173.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 68.98 8.9 7.12 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 125.447 1.499 . . . . 64.31 113.872 168.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -76.1 122.64 24.57 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.792 0.437 . . . . 62.45 110.166 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG13 ' HB3' ' A' ' 5' ' ' LYS . 61.2 t -78.97 102.14 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.627 1.171 . . . . 74.31 110.024 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -93.21 88.79 6.17 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.094 0.557 . . . . 61.34 109.908 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.56 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 31.1 mt-10 -73.24 111.94 8.83 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.085 -0.961 . . . . 71.34 108.54 173.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.2 tt -139.98 155.8 24.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.238 0.615 . . . . 72.24 109.475 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.83 133.28 55.28 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.483 0.713 . . . . 74.53 110.151 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.53 -31.57 69.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.06 0.944 . . . . 70.44 111.918 -176.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -56.0 -35.99 67.42 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.144 0.978 . . . . 75.25 112.129 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.46 HD13 ' HB2' ' A' ' 59' ' ' ARG . 37.8 mt -80.37 -34.82 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.0 0.92 . . . . 74.04 110.052 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.6 68.39 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.525 -0.762 . . . . 72.13 111.334 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.403 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 84.4 m -75.1 -27.27 59.8 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.782 0.833 . . . . 53.4 111.48 174.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.49 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 86.1 mtp -65.27 -37.51 87.43 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.235 0.541 . . . . 64.22 110.109 173.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.615 ' HA ' HG12 ' A' ' 100' ' ' ILE . 43.1 t -70.48 115.99 10.29 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.809 -1.087 . . . . 55.35 108.391 170.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 86.2 t -60.47 -52.05 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.46 0.704 . . . . 64.22 111.381 -174.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.0 m -64.58 -44.21 91.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.215 0.606 . . . . 74.25 112.086 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.452 HG13 HD22 ' A' ' 98' ' ' LEU . 70.5 mt -65.04 -42.39 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 109.884 -0.413 . . . . 70.22 109.884 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 20.2 ttpp -56.26 -45.09 80.2 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.961 0.904 . . . . 71.04 110.539 174.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.18 -34.49 77.75 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.772 0.67 . . . . 35.25 110.649 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.9 mtm -72.45 -34.33 67.68 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.827 0.451 . . . . 60.52 111.08 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 27' ' ' ILE . 78.6 mt -68.67 -38.12 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 N-CA-C 109.233 -0.655 . . . . 62.11 109.233 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.76 -26.44 59.77 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.495 0.718 . . . . 74.42 111.254 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.44 -46.07 20.66 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.638 0.775 . . . . 73.44 111.118 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -89.08 -39.76 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 115.552 -0.749 . . . . 75.31 110.063 -174.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.07 -151.77 18.18 Favored Glycine 0 C--N 1.342 0.876 0 N-CA-C 110.619 -0.993 . . . . 44.12 110.619 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -80.26 74.11 7.1 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 121.48 0.657 . . . . 34.5 109.536 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -75.4 109.14 8.7 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.254 -0.885 . . . . 71.12 110.647 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.19 -28.26 63.09 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.348 0.659 . . . . 72.33 109.565 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 m -60.61 136.61 92.57 Favored Pre-proline 0 CA--C 1.547 0.854 0 CA-C-N 115.172 -0.922 . . . . 62.52 110.7 172.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.605 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.6 Cg_endo -68.78 143.19 54.84 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.716 2.278 . . . . 71.14 111.772 177.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.4 mm -104.23 102.05 30.32 Favored Pre-proline 0 CA--C 1.551 1.007 0 N-CA-C 109.469 -0.567 . . . . 73.12 109.469 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.98 136.42 10.41 Favored 'Trans proline' 0 C--N 1.372 1.77 0 C-N-CA 122.486 2.124 . . . . 71.31 111.985 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.2 mt -103.41 95.34 6.94 Favored Pre-proline 0 CA--C 1.557 1.213 0 C-N-CA 124.556 1.142 . . . . 75.1 108.248 172.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -82.78 42.3 1.27 Allowed 'Trans proline' 0 C--N 1.378 2.113 0 C-N-CA 123.636 2.891 . . . . 71.54 113.974 -170.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -142.73 -57.61 0.43 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.211 0.604 . . . . 72.24 109.89 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.39 127.62 34.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 115.883 -0.599 . . . . 71.12 110.105 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.7 p -75.05 171.07 14.77 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.531 0.732 . . . . 41.23 111.494 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 34.1 p -63.06 -48.02 80.48 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.767 0.827 . . . . 71.14 112.181 -175.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 62.7 p -57.15 -46.2 82.95 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 124.237 0.961 . . . . 73.25 110.881 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.589 HG23 HD23 ' A' ' 91' ' ' LEU . 46.8 mm -74.99 -46.69 39.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.756 -0.656 . . . . 73.11 110.924 -174.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.38 -36.82 84.99 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.107 0.563 . . . . 73.01 110.844 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.99 -49.88 76.19 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.26 0.624 . . . . 75.13 109.822 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 49' ' ' THR . 27.9 mtpp -64.29 -46.92 81.5 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.56 1.163 . . . . 65.2 111.781 -176.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.541 HG13 ' HG ' ' A' ' 103' ' ' LEU . 70.2 t -60.77 -44.94 98.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 123.608 0.763 . . . . 64.44 110.089 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.5 mt -70.07 -32.12 70.05 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.304 0.641 . . . . 75.23 111.516 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.57 -32.33 60.34 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.475 0.71 . . . . 70.25 111.213 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -75.1 -40.02 60.26 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.825 -0.435 . . . . 74.51 109.825 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.52 ' SG ' HD13 ' A' ' 100' ' ' ILE . 84.2 m -64.41 -37.61 88.13 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.007 -0.542 . . . . 74.33 110.404 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.46 ' HB2' HD13 ' A' ' 20' ' ' ILE . 6.5 ptm180 -72.41 -34.39 67.84 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.814 0.446 . . . . 55.03 110.124 178.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -58.85 -47.16 85.85 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.147 0.979 . . . . 65.42 110.52 171.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -78.49 -15.37 58.69 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.967 -1.015 . . . . 63.43 110.409 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.49 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 71.8 t60 -82.28 -38.83 23.82 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.662 0.385 . . . . 61.21 110.478 176.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 19.6 mm100 -73.91 -30.94 62.86 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.688 -0.687 . . . . 72.14 110.416 178.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 108.129 -1.063 . . . . 72.41 108.129 174.158 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.9 mm . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.404 -0.591 . . . . 65.12 109.404 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -61.56 142.48 94.95 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.201 1.934 . . . . 72.4 111.319 170.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.0 -32.47 58.17 Favored 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 123.4 2.733 . . . . 65.43 113.191 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -52.4 -41.25 63.01 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.943 0.897 . . . . 61.54 112.041 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -36.67 84.65 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.978 0.911 . . . . 73.32 110.525 -176.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -76.37 -34.96 58.91 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.557 -0.747 . . . . 75.32 110.544 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -70.67 -27.15 63.81 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.24 -0.436 . . . . 61.41 110.802 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -65.12 -39.47 93.13 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.354 1.061 . . . . 60.52 109.958 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 66.1 m -69.91 -20.82 63.34 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.377 -1.283 . . . . 75.22 112.06 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -76.06 82.88 2.91 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.19 0.596 . . . . 73.22 109.473 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.59 167.15 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.754 1.222 . . . . 60.11 109.105 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -70.74 157.84 37.33 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 109.197 -0.668 . . . . 73.51 109.197 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -57.27 -50.68 86.79 Favored Pre-proline 0 CA--C 1.566 1.576 0 N-CA-C 113.144 0.794 . . . . 60.3 113.144 -171.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.48 -37.07 31.51 Favored 'Trans proline' 0 C--N 1.388 2.639 0 C-N-CA 121.503 1.468 . . . . 72.53 112.421 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 28.6 m -60.21 -32.76 71.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.4 1.08 . . . . 62.14 111.599 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.48 -48.75 74.02 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.089 0.955 . . . . 71.23 109.402 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -66.83 -29.85 69.88 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.605 -0.725 . . . . 71.13 111.274 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.403 ' HB3' HG13 ' A' ' 50' ' ' ILE . 19.3 mm-40 -63.39 -38.51 91.41 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.147 0.579 . . . . 73.41 111.254 173.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.589 HD23 HG23 ' A' ' 50' ' ' ILE . 96.1 mt -64.94 -37.36 87.4 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.242 0.617 . . . . 74.14 110.621 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.3 mt -65.79 -45.07 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.553 0.741 . . . . 65.12 110.221 176.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.85 -39.45 90.79 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.879 0.871 . . . . 63.01 111.173 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.85 -34.74 66.97 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.534 0.734 . . . . 73.33 110.956 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.613 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -73.67 -28.83 61.96 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.53 0.732 . . . . 71.54 111.831 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -78.95 -38.9 35.97 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.432 0.693 . . . . 60.13 109.997 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -63.65 -41.3 98.23 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.007 0.923 . . . . 71.1 111.088 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.452 HD22 HG13 ' A' ' 27' ' ' ILE . 83.3 mt -94.26 -9.22 36.81 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.609 0.763 . . . . 73.01 111.204 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.511 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 25.0 t0 57.21 33.8 23.86 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.555 1.542 . . . . 53.04 112.03 176.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.615 HG12 ' HA ' ' A' ' 24' ' ' SER . 47.6 mt -81.68 105.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.526 -0.761 . . . . 73.3 109.186 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -61.12 -49.85 86.78 Favored Pre-proline 0 CA--C 1.566 1.573 0 CA-C-O 117.901 -1.047 . . . . 54.13 112.537 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -57.35 -39.15 91.77 Favored 'Trans proline' 0 C--N 1.408 3.673 0 C-N-CA 121.953 1.769 . . . . 73.23 113.485 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.613 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -68.87 -52.42 29.91 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.04 -0.726 . . . . 72.32 109.04 -179.56 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.564 HD21 HD21 ' B' ' 104' ' ' LEU . 41.9 tp -61.21 -43.94 98.08 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.632 -1.167 . . . . 61.51 111.306 -173.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.43 -49.43 66.77 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.98 0.8 . . . . 70.23 110.692 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.2 t -58.01 -44.26 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.43 0.692 . . . . 74.5 111.202 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.5 m -74.08 -31.02 62.65 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.483 0.713 . . . . 74.11 111.958 -177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 88.8 m -75.85 -29.7 58.66 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.945 0.498 . . . . 65.14 110.491 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -28.7 60.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.362 0.665 . . . . 74.35 110.177 175.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -56.88 -53.62 55.84 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.384 0.673 . . . . 72.21 111.101 174.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.4 m -66.68 -35.47 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 116.441 -0.345 . . . . 63.12 110.797 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.452 ' HB2' HD11 ' B' ' 93' ' ' LEU . . . -61.85 -36.19 80.49 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 124.056 0.847 . . . . 43.51 111.641 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -72.61 -43.0 63.87 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.298 0.639 . . . . 74.01 110.749 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 63.3 mtm -64.12 -38.44 91.05 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.313 0.645 . . . . 74.43 111.848 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' B' ' 86' ' ' PRO . 24.8 pt -83.06 -28.93 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 122.982 0.513 . . . . 72.05 111.217 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -80.27 97.06 6.81 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.779 -0.822 . . . . 73.23 108.779 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.699 0 CA-C-N 115.325 -0.852 . . . . 64.3 113.442 173.229 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 120.7 0.286 . . . . 73.12 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.91 116.6 12.5 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.779 -0.646 . . . . 52.12 109.707 171.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.58 125.31 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.477 0.656 . . . . 74.34 109.44 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.618 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 89.7 mttt -93.57 111.47 23.15 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.637 -0.875 . . . . 71.41 108.637 -175.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.2 mt -111.48 100.34 8.93 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.522 0.729 . . . . 73.01 109.298 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -80.57 128.18 33.3 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.613 -0.514 . . . . 63.04 109.613 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.9 p -70.57 179.64 2.47 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.064 0.545 . . . . 70.03 111.123 172.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.5 p -67.12 -20.29 65.75 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.033 0.533 . . . . 51.15 110.416 169.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 26.9 t70 -90.34 8.91 31.07 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 124.336 1.054 . . . . 73.22 110.714 174.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 69.23 11.04 8.09 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 125.372 1.469 . . . . 74.4 113.698 168.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -77.58 123.17 26.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.785 0.434 . . . . 71.52 110.111 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.428 HG13 ' HB3' ' B' ' 5' ' ' LYS . 59.7 t -79.91 101.62 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.263 1.025 . . . . 75.5 109.935 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -92.56 88.74 6.44 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.184 0.516 . . . . 74.31 109.842 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.557 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 32.2 mt-10 -72.76 112.38 8.76 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.211 -1.033 . . . . 71.12 108.211 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.0 tt -140.38 156.37 23.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 109.511 -0.551 . . . . 63.42 109.511 -176.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.96 133.86 55.92 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.293 0.637 . . . . 62.32 110.19 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -60.58 -31.25 70.4 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.266 1.026 . . . . 50.43 111.648 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -56.8 -36.09 69.51 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.006 0.923 . . . . 71.14 112.005 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.438 HD13 ' HB2' ' B' ' 59' ' ' ARG . 37.1 mt -79.54 -35.14 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.771 0.828 . . . . 74.45 110.077 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.56 -26.82 68.58 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.604 -0.725 . . . . 73.13 111.334 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 76.7 m -74.63 -28.97 61.11 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.665 0.786 . . . . 54.44 111.383 174.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 85.6 mtp -63.72 -37.07 85.98 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.093 0.473 . . . . 70.04 110.271 174.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.595 ' HA ' HG12 ' B' ' 100' ' ' ILE . 42.5 t -70.53 116.69 11.15 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.996 -1.002 . . . . 74.35 108.484 170.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 89.1 t -61.05 -52.32 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.39 0.676 . . . . 74.24 111.206 -174.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 84.9 m -64.23 -44.57 91.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.352 0.661 . . . . 55.35 112.241 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.471 HG13 HD22 ' B' ' 98' ' ' LEU . 70.7 mt -64.84 -42.2 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 109.894 -0.41 . . . . 61.34 109.894 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' B' ' 22' ' ' CYS . 20.4 ttpp -56.15 -45.19 79.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.923 0.889 . . . . 75.54 110.475 174.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.29 -34.37 77.54 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.916 0.76 . . . . 64.02 110.752 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 73.6 mtm -72.8 -34.38 66.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.041 0.536 . . . . 71.21 110.988 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 27' ' ' ILE . 77.9 mt -68.59 -37.1 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.319 0.648 . . . . 75.43 109.474 174.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -76.16 -26.27 56.08 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.557 0.743 . . . . 54.33 111.428 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -78.68 -46.35 19.31 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.758 0.823 . . . . 73.3 111.101 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 67.3 mt -87.96 -41.36 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.272 -0.877 . . . . 72.45 109.935 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.96 -151.17 18.34 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 110.761 -0.936 . . . . 64.53 110.761 -174.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -80.91 74.31 7.89 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.536 0.684 . . . . 74.43 109.382 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 28.6 p -75.94 109.86 9.92 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.009 -0.996 . . . . 53.34 110.009 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.93 -30.55 65.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.974 -0.75 . . . . 70.32 108.974 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 37.6 m -60.62 135.95 92.35 Favored Pre-proline 0 CA--C 1.544 0.712 0 O-C-N 124.389 1.056 . . . . 74.11 110.585 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' PRO . . . . . 0.618 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 58.7 Cg_endo -67.75 143.75 62.84 Favored 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 122.853 2.369 . . . . 74.21 111.522 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mm -104.66 101.81 30.71 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 109.612 -0.514 . . . . 72.04 109.612 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.54 136.83 11.22 Favored 'Trans proline' 0 C--N 1.374 1.874 0 C-N-CA 122.326 2.018 . . . . 64.45 112.068 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 63.6 mt -104.07 94.46 6.66 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 124.498 1.119 . . . . 74.11 108.231 172.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -82.06 42.34 1.3 Allowed 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 123.463 2.775 . . . . 62.41 114.16 -171.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -142.54 -56.84 0.44 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.328 0.651 . . . . 75.33 109.878 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.61 126.91 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-N 115.982 -0.554 . . . . 73.14 110.062 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.9 p -74.45 169.9 16.77 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.805 0.842 . . . . 60.4 111.279 -176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 31.0 p -63.02 -47.79 81.57 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.756 0.823 . . . . 55.51 112.216 -174.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 66.1 p -57.2 -45.33 83.87 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 124.159 0.912 . . . . 72.4 111.145 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.575 HG23 HD23 ' B' ' 91' ' ' LEU . 47.3 mm -75.43 -46.47 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.579 -0.737 . . . . 73.24 110.797 -174.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.35 -36.86 85.1 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.625 0.578 . . . . 62.31 110.746 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.73 -49.81 76.25 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.325 0.65 . . . . 60.34 109.858 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' B' ' 49' ' ' THR . 28.1 mtpp -64.62 -46.47 82.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.934 -1.03 . . . . 62.53 111.979 -176.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.536 HG13 ' HG ' ' B' ' 103' ' ' LEU . 69.7 t -61.13 -45.28 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.63 0.772 . . . . 62.4 110.012 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 76.1 mt -69.61 -31.88 70.27 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.775 -0.648 . . . . 73.43 111.529 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -75.61 -32.66 60.37 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.479 0.712 . . . . 75.04 111.375 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -75.14 -39.77 60.22 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.898 -0.408 . . . . 71.33 109.898 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.507 ' SG ' HD13 ' B' ' 100' ' ' ILE . 84.7 m -64.65 -37.48 87.74 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.975 -0.557 . . . . 73.31 110.541 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.438 ' HB2' HD13 ' B' ' 20' ' ' ILE . 6.5 ptm180 -72.5 -34.39 67.62 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.803 0.441 . . . . 70.05 110.278 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -58.79 -47.86 83.28 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.266 1.027 . . . . 61.44 110.433 171.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -77.74 -15.63 58.99 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.238 -0.892 . . . . 64.11 110.48 -177.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' HIS . . . . . 0.478 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 70.7 t60 -82.22 -39.25 23.35 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.614 0.366 . . . . 64.31 110.496 176.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 17.2 mm100 -73.3 -31.24 63.92 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.782 -0.645 . . . . 73.13 110.395 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 . . . . . 0 C--O 1.244 0.783 0 N-CA-C 108.22 -1.03 . . . . 62.54 108.22 173.781 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.7 mm . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 109.043 -0.725 . . . . 70.12 109.043 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.95 141.85 90.86 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.322 2.015 . . . . 51.1 111.313 169.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.41 -32.03 50.43 Favored 'Trans proline' 0 C--N 1.382 2.332 0 C-N-CA 123.259 2.639 . . . . 74.4 113.409 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -52.58 -41.65 63.8 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.715 0.806 . . . . 62.45 112.092 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.6 -37.22 85.38 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.027 0.931 . . . . 54.31 110.692 -177.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -76.27 -35.29 58.98 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.287 -0.87 . . . . 71.34 110.912 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.09 -26.39 63.02 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.808 -0.633 . . . . 74.3 110.785 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -65.28 -39.65 92.84 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.244 1.018 . . . . 75.11 109.942 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.0 m -70.53 -18.98 62.93 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 114.286 -1.325 . . . . 73.4 112.261 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -77.28 82.22 3.76 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.33 0.652 . . . . 72.43 109.693 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 m -135.87 166.96 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.717 1.207 . . . . 44.54 109.093 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -70.38 157.69 37.33 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 109.284 -0.635 . . . . 62.3 109.284 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -57.09 -50.49 87.93 Favored Pre-proline 0 CA--C 1.566 1.592 0 C-N-CA 123.782 0.833 . . . . 44.25 113.036 -171.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.571 ' HA ' HD12 ' A' ' 115' ' ' ILE . 40.4 Cg_endo -65.49 -36.75 32.88 Favored 'Trans proline' 0 C--N 1.388 2.65 0 C-N-CA 121.48 1.453 . . . . 65.11 112.872 173.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 28.3 m -61.01 -31.86 71.46 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.39 1.076 . . . . 72.11 111.715 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.89 -49.05 72.0 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.024 0.93 . . . . 73.42 109.417 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.414 ' CD2' HD13 ' A' ' 115' ' ' ILE . 52.1 m-85 -67.22 -29.65 69.36 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.591 -0.732 . . . . 72.34 111.343 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.8 -38.61 91.36 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.274 0.63 . . . . 74.24 111.288 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.575 HD23 HG23 ' B' ' 50' ' ' ILE . 96.0 mt -65.06 -37.19 86.75 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.144 0.578 . . . . 72.43 110.637 175.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.4 HD12 ' HD1' ' B' ' 89' ' ' PHE . 62.7 mt -65.79 -45.0 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.583 0.753 . . . . 73.13 110.156 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 112' ' ' ALA . 96.1 mt -65.22 -40.63 94.38 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.926 0.89 . . . . 65.4 111.275 -178.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.19 -34.76 68.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.519 0.728 . . . . 75.53 110.982 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.599 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -73.71 -28.4 61.71 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.478 0.711 . . . . 74.13 111.664 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -79.14 -39.89 32.38 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.493 0.717 . . . . 72.32 109.933 174.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -63.11 -40.92 99.04 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.982 0.913 . . . . 73.22 111.106 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.471 HD22 HG13 ' B' ' 27' ' ' ILE . 83.3 mt -94.6 -8.46 38.03 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.614 0.765 . . . . 63.25 111.195 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.519 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 25.2 t0 56.34 34.24 23.77 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.478 1.511 . . . . 73.13 111.958 177.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.595 HG12 ' HA ' ' B' ' 24' ' ' SER . 46.6 mt -82.0 105.98 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 115.462 -0.79 . . . . 73.34 109.21 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -62.43 -48.99 85.72 Favored Pre-proline 0 CA--C 1.563 1.455 0 CA-C-O 117.88 -1.057 . . . . 72.12 112.446 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.15 -38.57 95.11 Favored 'Trans proline' 0 C--N 1.404 3.467 0 C-N-CA 121.894 1.73 . . . . 52.15 113.528 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.599 HD12 ' HB2' ' B' ' 95' ' ' ALA . 0.7 OUTLIER -69.73 -52.4 25.78 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.105 -0.702 . . . . 72.5 109.105 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.564 HD21 HD21 ' A' ' 104' ' ' LEU . 42.3 tp -61.24 -44.68 96.87 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.644 -1.162 . . . . 74.41 111.327 -173.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.05 -48.76 69.98 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.177 0.923 . . . . 62.2 110.433 -175.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.56 -44.55 89.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.407 0.683 . . . . 73.34 111.245 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -73.62 -30.85 63.22 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.542 0.737 . . . . 74.23 111.89 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.5 m -76.06 -29.37 57.98 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.121 0.568 . . . . 64.34 110.707 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.61 -28.57 58.91 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.403 0.681 . . . . 63.12 110.368 175.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 89.3 m -56.99 -53.86 53.21 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.387 0.675 . . . . 74.01 111.035 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.6 m -66.67 -35.49 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 O-C-N 123.178 0.299 . . . . 73.43 110.761 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.02 -35.6 79.03 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.9 0.75 . . . . 45.52 111.527 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -72.56 -43.79 62.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.194 0.598 . . . . 63.34 110.639 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 62.9 mtm -63.14 -38.94 93.15 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.089 0.556 . . . . 74.42 111.654 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 24.4 pt -82.67 -28.79 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 116.095 -0.502 . . . . 61.05 111.278 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 109.414 -0.587 . . . . 75.44 109.414 178.123 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.836 -0.061 . . . . 61.22 110.836 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.15 131.1 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.738 -0.838 . . . . 74.4 108.738 167.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.549 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 51.1 mttm -83.2 120.07 25.35 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.534 -0.913 . . . . 72.21 108.534 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.9 mt -120.79 102.81 8.62 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.126 0.571 . . . . 72.43 109.632 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -80.86 154.41 27.11 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.427 0.632 . . . . 64.31 110.272 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.3 p -91.98 -174.6 3.84 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-N 114.948 -1.024 . . . . 65.2 111.024 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 p -62.5 -32.9 73.89 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 115.487 -0.779 . . . . 75.11 109.906 166.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.14 -2.44 31.07 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.41 1.084 . . . . 72.41 111.952 173.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 66.55 12.48 8.76 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 125.199 1.4 . . . . 53.43 113.124 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -74.07 128.54 35.79 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.649 -0.5 . . . . 72.14 109.649 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.5 t -75.84 116.6 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.195 0.998 . . . . 72.44 110.678 -174.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -115.07 88.12 2.8 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.833 -0.803 . . . . 75.4 108.833 174.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.549 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 97.9 mt-10 -66.66 127.71 33.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.089 -0.96 . . . . 74.55 109.135 172.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.6 HD12 ' HB3' ' A' ' 55' ' ' LEU . 9.2 tt -142.48 148.17 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.348 -0.982 . . . . 70.54 108.348 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.71 132.05 52.71 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.855 -0.424 . . . . 73.24 109.855 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.63 -41.5 95.02 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.454 1.102 . . . . 73.45 111.441 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -61.75 -29.94 70.45 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.46 1.104 . . . . 75.32 112.014 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.552 HD13 ' HA ' ' A' ' 59' ' ' ARG . 43.3 mt -76.08 -41.46 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 109.467 -0.568 . . . . 74.01 109.467 174.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -16.96 62.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.939 0.896 . . . . 73.33 112.194 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.6 m -72.75 -22.58 60.83 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.291 0.637 . . . . 72.44 111.96 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.7 mtm -64.47 -29.33 70.37 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.522 0.677 . . . . 73.41 110.323 174.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t -71.17 111.97 6.94 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.06 -1.089 . . . . 63.21 108.06 164.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 99' ' ' ASP . 45.8 t -66.31 -35.37 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.389 0.431 . . . . 62.22 110.359 -176.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.7 m -62.58 -49.25 76.0 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.059 0.544 . . . . 52.12 111.504 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.16 -37.34 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 122.968 0.507 . . . . 62.41 109.838 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -61.0 -41.54 96.73 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.387 0.675 . . . . 75.23 110.2 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.94 -31.01 69.59 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.2 0.6 . . . . 64.31 110.987 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.7 mtt -66.92 -40.73 87.73 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.23 0.612 . . . . 65.05 109.918 173.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.21 -38.17 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 123.85 0.86 . . . . 72.52 110.477 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.32 -38.46 60.22 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.946 0.498 . . . . 73.01 111.659 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.9 -46.46 21.24 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.432 0.693 . . . . 74.33 111.556 -174.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -81.91 -19.31 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.524 0.73 . . . . 71.32 110.63 -176.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.43 26.83 29.23 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 116.407 -0.36 . . . . 73.0 112.239 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 76.27 127.5 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.283 1.833 . . . . 54.3 111.729 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.4 m -116.15 114.17 24.11 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.807 0.843 . . . . 64.05 109.669 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.18 -29.91 61.98 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.36 -0.978 . . . . 60.04 108.36 167.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 m -59.29 152.77 51.63 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.262 1.425 . . . . 70.24 111.796 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -67.15 142.64 61.87 Favored 'Trans proline' 0 C--N 1.373 1.845 0 C-N-CA 122.695 2.264 . . . . 75.31 112.492 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mm -123.56 117.53 27.7 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 124.194 0.998 . . . . 74.25 108.892 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -80.87 141.73 13.55 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.211 1.941 . . . . 61.32 111.561 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.466 HD23 HD21 ' A' ' 98' ' ' LEU . 6.9 mp -110.31 92.28 13.25 Favored Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 107.71 -1.219 . . . . 73.12 107.71 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.77 70.69 7.12 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.954 2.436 . . . . 64.52 112.068 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -169.12 -57.24 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.64 0.776 . . . . 72.02 109.812 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.402 HG11 HD13 ' A' ' 51' ' ' LEU . 7.4 p -88.17 128.64 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 CA-C-N 115.22 -0.9 . . . . 75.51 110.081 -174.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.7 p -71.81 165.79 23.37 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.515 0.726 . . . . 73.13 110.87 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.8 p -68.55 -39.44 81.1 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.594 0.59 . . . . 71.12 112.594 -174.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -64.16 -40.59 96.45 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.989 0.516 . . . . 74.33 110.932 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 54' ' ' VAL . 51.7 mm -74.73 -46.81 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.961 -0.563 . . . . 74.53 109.897 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.402 HD13 HG11 ' A' ' 46' ' ' VAL . 44.9 tp -64.23 -35.09 79.68 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.522 0.729 . . . . 74.43 111.239 -175.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -56.21 -50.15 72.07 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.769 0.668 . . . . 60.31 109.577 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -69.86 -34.55 73.75 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.492 1.12 . . . . 62.15 112.081 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 50' ' ' ILE . 55.6 t -65.94 -48.04 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.526 0.73 . . . . 75.45 109.728 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.6 ' HB3' HD12 ' A' ' 16' ' ' ILE . 76.1 mt -73.24 -28.28 62.06 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.472 -0.785 . . . . 73.12 111.209 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.88 -35.15 64.68 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.832 0.853 . . . . 71.02 111.225 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -69.79 -43.35 72.3 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.177 -0.675 . . . . 61.41 109.177 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' A' ' 100' ' ' ILE . 85.4 m -63.02 -41.91 99.67 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.376 -0.829 . . . . 64.14 110.521 175.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.552 ' HA ' HD13 ' A' ' 20' ' ' ILE . 45.8 ttp85 -60.0 -46.53 89.19 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.727 0.811 . . . . 72.22 109.7 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -59.53 -47.67 84.62 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 114.348 -1.296 . . . . 54.22 111.118 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -72.55 -31.22 65.11 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.583 0.552 . . . . 61.21 111.701 -171.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -80.5 -45.75 16.98 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.986 0.515 . . . . 75.44 110.745 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -77.35 -32.63 55.19 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.492 0.717 . . . . 70.15 111.084 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 . . . . . 0 CA--C 1.551 1.003 0 C-N-CA 124.276 1.031 . . . . 70.42 108.323 176.609 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.6 mm . . . . . 0 CA--C 1.552 1.054 0 N-CA-C 109.605 -0.517 . . . . 73.34 109.605 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.66 129.33 33.1 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.632 2.221 . . . . 75.31 112.115 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -58.32 -18.78 39.72 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 123.163 2.575 . . . . 74.34 113.004 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.16 -54.76 36.46 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.984 0.913 . . . . 73.01 110.096 173.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.88 -29.27 64.17 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.963 0.905 . . . . 75.25 111.29 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -74.7 -36.55 62.73 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.923 -0.581 . . . . 71.21 110.588 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.594 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 10.7 m-20 -77.81 -22.99 49.21 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.107 -0.497 . . . . 62.3 111.188 173.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -61.13 -39.89 91.75 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 109.775 -0.454 . . . . 73.05 109.775 168.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 76.5 m -75.85 0.39 18.33 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.917 0.887 . . . . 34.41 112.556 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.594 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 34.2 mmtp -76.14 85.21 2.99 Favored 'General case' 0 C--N 1.362 1.139 0 N-CA-C 108.865 -0.791 . . . . 61.44 108.865 170.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.51 ' HB ' ' HB ' ' A' ' 87' ' ' THR . 13.9 m -135.73 151.99 30.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 C-N-CA 124.467 1.107 . . . . 63.13 109.091 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -75.39 170.58 15.82 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.38 -0.6 . . . . 75.33 109.38 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.08 -50.78 85.41 Favored Pre-proline 0 CA--C 1.563 1.479 0 CA-C-O 118.245 -0.883 . . . . 72.1 113.202 -175.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.411 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 36.5 Cg_endo -62.56 -34.44 75.11 Favored 'Trans proline' 0 C--N 1.389 2.66 0 CA-C-N 121.296 1.499 . . . . 71.25 112.362 174.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.51 ' HB ' ' HB ' ' A' ' 83' ' ' VAL . 4.1 m -68.85 -30.33 68.83 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 124.134 0.974 . . . . 73.41 111.295 -175.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.48 ' HG ' HG23 ' A' ' 83' ' ' VAL . 13.0 mt -54.96 -51.93 64.62 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.139 0.976 . . . . 55.25 109.891 170.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -69.0 -30.37 68.75 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.034 -0.984 . . . . 75.42 111.694 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 35.2 mm-40 -65.62 -36.22 83.08 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.765 0.426 . . . . 75.25 111.86 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.51 HD11 HG11 ' A' ' 83' ' ' VAL . 90.4 mt -68.89 -36.3 77.89 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.881 0.472 . . . . 74.31 110.641 174.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.73 -44.86 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.668 0.787 . . . . 61.31 110.162 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.5 mt -68.51 -38.27 80.77 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.843 0.857 . . . . 64.45 111.206 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.58 -38.94 70.86 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.395 0.678 . . . . 71.02 111.324 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.52 -30.17 65.62 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.379 0.672 . . . . 63.44 111.612 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.446 HD21 ' HA ' ' B' ' 105' ' ' ASP . 25.3 t30 -72.79 -44.38 61.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.769 0.827 . . . . 73.33 109.891 173.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -64.05 -35.48 80.88 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.984 0.913 . . . . 64.43 111.362 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.466 HD21 HD23 ' A' ' 43' ' ' LEU . 86.2 mt -103.5 1.95 33.0 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.177 0.591 . . . . 74.23 112.555 -177.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.416 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 3.9 m-20 61.3 18.47 9.25 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.562 0.745 . . . . 75.43 112.745 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.643 HD13 ' SG ' ' A' ' 58' ' ' CYS . 47.9 mt -80.74 89.01 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.484 0 N-CA-C 108.531 -0.915 . . . . 70.22 108.531 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 104' ' ' LEU . 42.6 mtpt -69.19 -33.2 3.81 Favored Pre-proline 0 CA--C 1.554 1.128 0 CA-C-O 117.613 -1.184 . . . . 75.14 113.422 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -48.06 -39.07 33.14 Favored 'Trans proline' 0 C--N 1.397 3.092 0 C-N-CA 121.976 1.784 . . . . 72.34 112.993 166.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 33.0 tp -81.26 -48.77 11.59 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.206 0.602 . . . . 75.11 111.069 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 101' ' ' LYS . 54.9 tp -56.88 -48.97 76.92 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.28 1.032 . . . . 70.13 111.278 -173.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 27.8 t70 -62.04 -50.69 70.99 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 114.551 -1.204 . . . . 75.05 110.643 -176.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.55 -45.45 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 O-C-N 124.214 0.946 . . . . 75.44 112.115 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 91' ' ' LEU . 58.8 m -66.38 -46.78 75.5 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.553 0.341 . . . . 41.23 110.959 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.3 m -66.87 -29.41 69.31 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.705 -0.679 . . . . 65.24 111.191 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 105' ' ' ASP . 0.8 OUTLIER -72.5 -46.81 52.94 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 109.173 -0.677 . . . . 64.42 109.173 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.7 m -61.44 -50.04 74.38 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 124.157 0.911 . . . . 74.11 111.302 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.52 -33.31 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 123.392 0.433 . . . . 73.23 110.767 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.84 -35.33 67.24 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 123.404 0.682 . . . . 73.24 111.125 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 116' ' ' ARG . 90.1 m-20 -72.67 -24.39 61.02 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.369 0.667 . . . . 64.21 111.478 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 46.4 mtm -63.88 -39.24 93.72 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.646 0.378 . . . . 72.41 110.639 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 31.9 pt -92.79 -22.72 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.304 0.642 . . . . 60.15 111.221 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.469 ' HB3' ' HA ' ' A' ' 113' ' ' ASN . 60.6 ttt180 -74.88 -48.25 25.8 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.252 1.021 . . . . 73.1 110.446 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 N-CA-C 110.687 -0.965 . . . . 38.08 110.687 -176.638 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.588 -0.152 . . . . 75.3 110.588 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 69.5 mt -91.2 120.61 32.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.457 0.703 . . . . 61.43 110.708 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 m -90.77 132.0 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 108.92 -0.77 . . . . 62.41 108.92 166.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.54 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 50.9 mttm -83.31 119.63 24.83 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 108.549 -0.908 . . . . 71.32 108.549 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -120.69 103.29 9.0 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.171 0.589 . . . . 72.33 109.705 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -81.96 154.5 25.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.367 0.604 . . . . 62.11 110.346 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.9 p -92.03 -174.65 3.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.946 -1.025 . . . . 64.03 110.967 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.7 p -64.05 -31.07 72.13 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 115.589 -0.732 . . . . 73.33 109.834 167.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.405 ' HB2' ' HB3' ' B' ' 48' ' ' SER . 3.5 m-20 -77.33 -2.65 36.01 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.638 1.175 . . . . 73.1 111.652 173.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 66.94 12.23 8.83 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 125.276 1.43 . . . . 74.51 113.274 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -73.84 128.48 35.64 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.51 -0.552 . . . . 75.52 109.51 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.76 117.98 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.257 1.023 . . . . 64.43 110.602 -175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -116.67 87.9 2.79 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.923 -0.769 . . . . 72.42 108.923 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.54 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 98.2 mt-10 -67.51 128.16 35.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.913 -1.039 . . . . 75.22 108.873 173.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' B' ' 55' ' ' LEU . 9.1 tt -143.04 149.04 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.238 -1.023 . . . . 74.24 108.238 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.13 132.83 55.2 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.91 -0.404 . . . . 70.42 109.91 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.85 -41.58 96.13 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.348 1.059 . . . . 73.44 111.392 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.43 -30.45 70.58 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.069 0.856 . . . . 70.14 112.076 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.563 HD13 ' HA ' ' B' ' 59' ' ' ARG . 43.7 mt -75.63 -40.96 41.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 CA-C-O 121.205 0.526 . . . . 74.42 109.656 174.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.411 ' HB1' HG21 ' B' ' 27' ' ' ILE . . . -71.77 -16.52 62.2 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.856 0.863 . . . . 52.24 112.263 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -73.78 -21.96 60.0 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.457 0.703 . . . . 44.24 112.275 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 20.6 mtm -64.77 -29.33 70.3 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.566 0.698 . . . . 62.31 110.161 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.7 t -71.76 110.87 6.59 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.731 -1.122 . . . . 75.44 108.029 164.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.02 -34.67 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 123.346 0.404 . . . . 54.3 110.528 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 35.3 m -62.99 -49.36 74.99 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.024 0.53 . . . . 73.12 111.439 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.411 HG21 ' HB1' ' B' ' 21' ' ' ALA . 89.4 mt -64.96 -37.46 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.146 0.578 . . . . 63.34 109.836 178.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -61.17 -41.57 97.03 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.39 0.676 . . . . 74.14 110.14 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.12 -30.45 68.72 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.285 0.634 . . . . 75.25 111.03 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 67.7 mtt -67.09 -40.83 87.04 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.167 0.587 . . . . 64.13 109.823 173.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.2 -38.1 81.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.855 0.862 . . . . 73.32 110.632 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.94 -36.22 59.43 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.484 0.314 . . . . 74.15 111.704 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -78.84 -46.42 18.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.083 0.553 . . . . 72.23 111.62 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 57.5 mt -82.69 -18.42 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.667 0.787 . . . . 71.43 110.309 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.54 28.13 30.66 Favored Glycine 0 C--N 1.347 1.17 0 CA-C-N 116.156 -0.475 . . . . 63.43 111.986 -176.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 76.07 128.21 0.04 OUTLIER 'General case' 0 C--N 1.353 0.75 0 C-N-CA 126.433 1.893 . . . . 63.34 111.894 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 25.2 m -116.31 113.58 23.15 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 123.989 0.916 . . . . 74.2 109.621 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -73.35 -30.3 63.23 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 108.41 -0.959 . . . . 73.35 108.41 167.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.4 m -59.3 153.16 49.47 Favored Pre-proline 0 CA--C 1.557 1.231 0 CA-C-N 114.021 -1.445 . . . . 72.43 111.914 173.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.98 141.43 53.29 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.68 2.254 . . . . 73.41 113.03 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 48.2 mm -122.37 117.58 29.15 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.008 0.923 . . . . 61.13 108.85 -177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -81.15 141.46 12.97 Favored 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.173 1.915 . . . . 61.21 111.563 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.475 HD23 HD21 ' B' ' 98' ' ' LEU . 6.8 mp -109.87 92.7 13.1 Favored Pre-proline 0 CA--C 1.552 1.037 0 N-CA-C 107.641 -1.244 . . . . 75.13 107.641 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -82.15 68.14 7.92 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 123.038 2.492 . . . . 71.44 112.334 -174.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -166.91 -57.38 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.48 -0.782 . . . . 70.21 109.687 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.412 HG11 HD13 ' B' ' 51' ' ' LEU . 7.5 p -87.62 128.72 39.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-N 115.339 -0.846 . . . . 73.13 110.005 -174.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 72.0 p -71.67 166.55 21.69 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.663 0.785 . . . . 74.05 110.964 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' B' ' 10' ' ' ASP . 63.3 p -69.47 -38.31 77.65 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.729 0.641 . . . . 43.34 112.729 -173.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 23.4 p -64.54 -42.01 95.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.234 0.614 . . . . 74.42 110.777 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.445 ' O ' HG23 ' B' ' 54' ' ' VAL . 51.9 mm -74.07 -46.62 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 115.883 -0.598 . . . . 72.32 109.95 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.412 HD13 HG11 ' B' ' 46' ' ' VAL . 44.6 tp -64.48 -34.92 79.34 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.429 0.692 . . . . 74.44 111.288 -175.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -56.58 -49.24 75.44 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 123.53 0.519 . . . . 75.53 109.649 173.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -70.72 -34.31 71.77 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 124.31 1.006 . . . . 74.25 112.176 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 50' ' ' ILE . 55.7 t -66.01 -47.98 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.677 0.791 . . . . 72.14 109.763 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.599 ' HB3' HD12 ' B' ' 16' ' ' ILE . 76.7 mt -73.51 -28.55 61.96 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.418 -0.81 . . . . 75.52 111.159 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -74.43 -34.55 63.25 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.701 0.8 . . . . 64.13 111.155 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -69.17 -43.72 73.69 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.04 -0.726 . . . . 73.03 109.04 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.651 ' SG ' HD13 ' B' ' 100' ' ' ILE . 85.7 m -62.98 -41.98 99.71 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 115.32 -0.854 . . . . 65.33 110.555 175.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.563 ' HA ' HD13 ' B' ' 20' ' ' ILE . 44.2 ttp85 -59.55 -47.0 87.23 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.707 0.803 . . . . 74.12 109.837 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -58.72 -47.66 83.81 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 114.355 -1.293 . . . . 72.3 111.229 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -73.1 -30.57 63.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.076 0.551 . . . . 64.24 111.911 -171.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -80.69 -46.32 15.75 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.768 0.427 . . . . 75.11 110.679 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -76.96 -33.45 57.65 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.553 -0.749 . . . . 64.31 110.86 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 . . . . . 0 CA--C 1.551 1.016 0 C-N-CA 124.198 0.999 . . . . 72.21 108.309 176.139 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.8 mm . . . . . 0 CA--C 1.553 1.068 0 N-CA-C 109.616 -0.513 . . . . 63.13 109.616 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 74' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' B' ' 75' ' ' PRO . 39.4 Cg_exo -58.13 129.2 31.88 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 122.616 2.211 . . . . 71.34 112.036 -177.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 74' ' ' PRO . 39.7 Cg_exo -58.24 -19.2 41.14 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 123.429 2.752 . . . . 73.44 113.18 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -61.43 -54.48 43.02 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.214 1.006 . . . . 73.23 110.074 173.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.51 -29.46 63.63 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.026 0.931 . . . . 75.22 111.399 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -74.77 -36.7 62.55 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.877 -0.601 . . . . 75.34 110.456 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.599 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 11.5 m-20 -77.37 -23.24 50.84 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.006 -0.543 . . . . 60.22 111.249 173.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.4 -40.44 94.37 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 109.683 -0.488 . . . . 74.3 109.683 168.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.43 0.75 15.95 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.013 0.925 . . . . 51.34 112.52 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.599 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 34.3 mmtp -75.74 86.69 2.76 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 108.638 -0.875 . . . . 73.51 108.638 170.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.521 HG11 HD11 ' B' ' 91' ' ' LEU . 14.5 m -136.61 152.31 29.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 C-N-CA 124.416 1.086 . . . . 70.21 108.777 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -75.67 169.97 17.09 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.175 -0.676 . . . . 74.12 109.175 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -56.26 -50.82 85.35 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 118.269 -0.872 . . . . 73.02 113.334 -175.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -63.19 -33.36 72.37 Favored 'Trans proline' 0 C--N 1.389 2.663 0 C-N-CA 121.595 1.53 . . . . 73.23 112.14 174.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' THR . . . . . 0.478 ' HB ' ' HB ' ' B' ' 83' ' ' VAL . 4.2 m -69.4 -30.37 68.32 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.236 1.014 . . . . 53.52 111.498 -175.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.49 ' HG ' HG23 ' B' ' 83' ' ' VAL . 13.3 mt -54.39 -51.96 63.2 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.177 0.991 . . . . 75.34 109.974 170.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -68.91 -30.35 68.81 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.079 -0.964 . . . . 75.41 111.677 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -65.07 -36.41 84.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.842 0.457 . . . . 70.45 111.797 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.521 HD11 HG11 ' B' ' 83' ' ' VAL . 90.6 mt -69.21 -36.4 77.22 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.911 0.484 . . . . 74.35 110.608 175.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.5 -44.91 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.745 0.818 . . . . 75.14 110.241 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.63 -38.15 80.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.902 0.881 . . . . 73.0 111.141 -178.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.81 71.0 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.434 0.693 . . . . 65.54 111.29 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.86 -29.97 64.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.367 0.667 . . . . 34.33 111.683 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -73.04 -43.38 62.07 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.797 0.839 . . . . 54.1 109.92 173.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -64.02 -37.76 88.62 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.161 0.985 . . . . 70.42 111.174 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.475 HD21 HD23 ' B' ' 43' ' ' LEU . 86.1 mt -102.3 1.63 35.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.313 0.645 . . . . 73.12 112.408 -176.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 61.4 18.44 9.32 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.507 0.723 . . . . 54.21 112.89 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.651 HD13 ' SG ' ' B' ' 58' ' ' CYS . 48.2 mt -80.24 89.3 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.465 0 N-CA-C 108.538 -0.912 . . . . 64.24 108.538 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.462 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 42.0 mtpt -69.36 -33.19 3.7 Favored Pre-proline 0 CA--C 1.553 1.07 0 CA-C-O 117.616 -1.183 . . . . 71.45 113.445 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -47.96 -39.45 32.5 Favored 'Trans proline' 0 C--N 1.397 3.081 0 C-N-CA 121.941 1.76 . . . . 60.34 112.989 166.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 34.0 tp -80.96 -49.08 11.4 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.103 0.561 . . . . 75.21 110.957 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' B' ' 101' ' ' LYS . 54.6 tp -56.6 -48.54 77.19 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.399 1.079 . . . . 64.32 111.27 -173.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' B' ' 109' ' ' LYS . 29.1 t70 -62.23 -50.97 69.64 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.573 1.17 . . . . 61.2 110.702 -176.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.28 -45.36 96.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 O-C-N 124.109 0.88 . . . . 62.41 112.05 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.494 HG21 ' HB2' ' B' ' 91' ' ' LEU . 57.0 m -66.58 -46.8 74.78 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.486 0.314 . . . . 75.44 111.039 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 72.9 m -67.03 -29.41 69.22 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.742 -0.663 . . . . 63.41 111.198 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' B' ' 105' ' ' ASP . 0.8 OUTLIER -72.28 -46.9 53.88 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.264 -0.643 . . . . 63.21 109.264 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 96.6 m -61.46 -50.41 72.88 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.206 0.941 . . . . 64.03 111.28 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.43 -33.56 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 O-C-N 123.428 0.455 . . . . 62.2 110.681 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.11 -35.52 69.19 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.242 0.617 . . . . 71.1 111.22 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.509 ' HA ' ' HB3' ' B' ' 116' ' ' ARG . 88.8 m-20 -72.5 -25.03 61.25 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.316 0.646 . . . . 73.33 111.28 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 48.0 mtm -63.21 -38.16 90.07 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.725 0.41 . . . . 75.32 110.712 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 29.8 pt -94.11 -23.18 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.131 0.572 . . . . 45.44 111.084 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' ARG . . . . . 0.509 ' HB3' ' HA ' ' B' ' 113' ' ' ASN . 60.2 ttt180 . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 124.324 1.049 . . . . 75.33 110.813 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 110.045 -0.354 . . . . 73.54 110.045 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 38' ' ' ASP . 21.9 m -69.28 121.22 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.472 0.653 . . . . 55.45 109.441 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.551 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 64.9 mttm -81.13 83.42 6.79 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.925 -1.034 . . . . 65.33 110.517 -171.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.2 mt -76.0 86.85 2.92 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.457 0.646 . . . . 74.43 110.161 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.16 113.63 16.28 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.708 -1.133 . . . . 70.44 109.751 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.8 p -72.91 175.2 6.79 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.601 0.76 . . . . 64.01 112.296 -176.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 t -61.17 -29.46 69.81 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.032 0.933 . . . . 74.33 110.892 172.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.4 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 32.4 t70 -87.95 11.95 14.54 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.059 0.944 . . . . 62.41 111.012 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 74.07 -2.39 2.8 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.667 1.587 . . . . 72.01 113.667 172.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -78.6 123.19 26.85 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 109.968 -0.382 . . . . 63.14 109.968 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 5' ' ' LYS . 83.9 t -91.2 100.63 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.516 1.126 . . . . 24.05 110.619 -171.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -90.28 93.21 9.25 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.301 0.64 . . . . 75.53 110.166 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.551 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 46.3 mt-10 -74.1 83.97 1.81 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.258 -0.883 . . . . 75.24 109.962 176.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.3 tp -92.66 156.05 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.526 -0.916 . . . . 73.43 108.526 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.62 136.4 58.0 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 109.927 -0.397 . . . . 73.0 109.927 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -56.31 -41.23 75.64 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.056 0.942 . . . . 74.31 111.23 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -60.39 -32.32 71.2 Favored 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.234 0.959 . . . . 75.12 112.668 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 50.2 mt -81.18 -34.17 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.38 0.672 . . . . 73.53 110.052 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.19 -18.8 62.46 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.159 0.584 . . . . 44.43 111.52 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.1 m -71.32 -25.38 62.38 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.251 0.62 . . . . 71.44 111.636 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.459 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 86.6 mtp -61.02 -36.88 80.7 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.098 0.559 . . . . 72.33 110.311 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.491 ' HA ' HG12 ' A' ' 100' ' ' ILE . 47.4 t -68.79 109.41 3.85 Favored 'General case' 0 C--N 1.343 0.286 0 N-CA-C 108.41 -0.959 . . . . 74.12 108.41 168.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.465 ' HB ' ' HB2' ' A' ' 99' ' ' ASP . 95.5 t -61.97 -43.36 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 123.731 0.645 . . . . 73.44 110.595 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.0 m -63.47 -50.38 69.92 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.465 0.706 . . . . 64.43 111.914 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.54 -41.22 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 C-N-CA 122.807 0.443 . . . . 74.45 110.113 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -61.77 -40.04 93.76 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.593 0.558 . . . . 73.44 110.465 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -69.61 -29.45 66.97 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.771 0.428 . . . . 72.33 111.026 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.7 mtt -68.54 -39.55 81.06 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.195 0.598 . . . . 70.45 110.259 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.13 -52.94 52.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 124.042 0.937 . . . . 73.43 109.893 176.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.39 -28.95 69.63 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.575 1.15 . . . . 73.21 111.567 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.48 -44.07 97.27 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.724 0.81 . . . . 61.22 110.933 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.13 10.63 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 124.221 1.009 . . . . 72.22 109.403 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.95 -66.58 3.54 Favored Glycine 0 C--N 1.349 1.257 0 N-CA-C 109.547 -1.421 . . . . 65.32 109.547 -172.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -155.8 151.27 27.02 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 123.863 0.865 . . . . 71.11 109.157 168.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.6 m -143.9 89.21 2.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.521 0.729 . . . . 63.14 110.113 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.45 ' HA ' HG12 ' A' ' 4' ' ' VAL . 18.7 t70 -74.09 -27.04 60.7 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.215 1.006 . . . . 63.53 109.623 174.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.0 p -62.47 161.35 27.08 Favored Pre-proline 0 CA--C 1.565 1.549 0 C-N-CA 125.574 1.55 . . . . 75.13 112.641 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 9.4 Cg_endo -50.56 110.22 0.37 Allowed 'Trans proline' 0 C--N 1.391 2.779 0 C-N-CA 123.642 2.895 . . . . 73.04 114.851 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -89.79 112.55 52.66 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 108.732 -0.84 . . . . 75.01 108.732 173.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -82.49 129.51 5.8 Favored 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 122.728 2.285 . . . . 64.44 111.656 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.62 88.92 4.63 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 108.094 -1.076 . . . . 52.35 108.094 171.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.19 -12.82 21.16 Favored 'Trans proline' 0 C--N 1.379 2.177 0 C-N-CA 122.729 2.286 . . . . 72.3 113.263 -173.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -78.2 -58.21 3.38 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.152 0.581 . . . . 72.22 110.344 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.2 p -89.06 135.66 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 CA-C-O 121.133 0.492 . . . . 63.52 111.235 -172.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.9 p -80.07 175.17 10.87 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.085 0.954 . . . . 73.41 111.336 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 64.2 p -66.24 -47.76 72.74 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.9 0.88 . . . . 64.14 112.555 -174.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.1 p -59.26 -43.43 92.47 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.691 0.796 . . . . 73.42 111.46 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.526 HG23 HD23 ' A' ' 91' ' ' LEU . 46.4 mm -75.65 -47.94 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.242 -0.89 . . . . 72.42 110.276 -177.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.2 tp -61.77 -38.69 88.96 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.402 0.681 . . . . 64.02 111.185 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.19 -51.59 69.11 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.994 0.918 . . . . 63.53 110.61 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -61.9 -45.28 94.4 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 124.42 1.075 . . . . 54.3 111.35 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.28 -40.39 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 123.153 0.581 . . . . 75.25 111.143 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.1 mt -73.0 -35.17 66.78 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.018 0.527 . . . . 63.23 111.427 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.64 -32.64 66.05 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.278 0.631 . . . . 72.42 110.021 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -71.75 -46.85 57.15 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.163 0.585 . . . . 74.14 109.744 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.551 ' SG ' HG21 ' A' ' 100' ' ' ILE . 97.1 m -62.14 -32.0 72.54 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 123.759 0.662 . . . . 71.1 110.766 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 33.2 ttp180 -65.46 -45.94 81.8 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 123.551 0.532 . . . . 75.1 110.491 174.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -65.05 -35.29 80.68 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 123.273 0.358 . . . . 75.1 110.759 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -79.08 -15.84 57.61 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.368 0.667 . . . . 71.12 110.391 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.459 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 42.9 t60 -81.89 -35.36 29.31 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.222 0.609 . . . . 72.42 109.69 173.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 9.2 mm100 -71.05 -33.8 70.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 116.006 -0.543 . . . . 72.33 109.783 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 108.141 -1.059 . . . . 74.53 108.141 178.214 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 109.3 -0.63 . . . . 74.41 109.3 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.86 148.69 91.5 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.712 2.275 . . . . 73.21 111.9 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.93 -35.73 61.39 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.398 2.732 . . . . 65.02 113.761 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -56.27 -55.66 30.58 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 123.914 0.759 . . . . 73.35 110.739 175.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.74 -28.44 64.71 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 124.132 0.895 . . . . 74.13 110.912 -170.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -71.67 -51.03 25.15 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.533 0.733 . . . . 64.14 110.601 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -71.42 -22.27 61.87 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.246 0.619 . . . . 51.35 111.454 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.24 -45.95 89.77 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.795 0.838 . . . . 73.31 110.058 174.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.549 ' HB3' HG21 ' A' ' 110' ' ' THR . 67.4 m -70.62 -18.22 62.88 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 114.694 -1.139 . . . . 71.41 111.699 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -80.65 77.43 7.48 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 121.821 0.819 . . . . 72.24 110.064 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.39 173.59 11.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 C-N-CA 124.531 1.132 . . . . 62.3 108.754 174.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.7 158.87 29.06 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.628 -0.508 . . . . 74.41 109.628 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -62.58 -42.71 80.92 Favored Pre-proline 0 CA--C 1.572 1.803 0 CA-C-O 118.276 -0.869 . . . . 74.01 112.367 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.24 -43.89 32.14 Favored 'Trans proline' 0 C--N 1.393 2.879 0 C-N-CA 121.944 1.763 . . . . 64.53 111.966 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.0 m -65.29 -29.88 70.68 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.189 0.996 . . . . 43.45 111.288 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.5 tt -67.92 -44.93 75.74 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.194 0.998 . . . . 73.42 108.782 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -68.21 -30.37 69.43 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.606 -0.724 . . . . 74.11 111.166 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -61.98 -40.54 95.96 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.906 0.483 . . . . 51.01 111.006 173.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.526 HD23 HG23 ' A' ' 50' ' ' ILE . 98.5 mt -65.55 -42.64 91.65 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 123.481 0.488 . . . . 71.44 110.289 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.2 mt -60.49 -42.43 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.631 0.772 . . . . 71.2 110.629 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 99.3 mt -73.41 -27.86 61.68 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.787 0.835 . . . . 72.33 111.264 -178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.55 -45.54 68.54 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.887 0.475 . . . . 63.22 109.901 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.51 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -70.81 -27.81 64.17 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.582 0.753 . . . . 75.44 111.52 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -69.75 -41.76 74.78 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.531 1.132 . . . . 71.44 109.589 175.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -74.77 -35.11 62.55 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.442 1.097 . . . . 74.25 111.825 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.9 mt -100.87 -4.74 27.22 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.552 0.575 . . . . 74.15 112.552 -174.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.465 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 65.8 m-20 55.42 31.22 16.45 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.79 1.236 . . . . 52.24 112.346 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.551 HG21 ' SG ' ' A' ' 58' ' ' CYS . 59.3 mt -79.78 94.73 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 109.093 -0.706 . . . . 73.23 109.093 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -57.17 -43.31 99.19 Favored Pre-proline 0 CA--C 1.559 1.324 0 CA-C-O 117.119 -1.42 . . . . 61.24 112.682 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -49.35 -51.5 10.56 Favored 'Trans proline' 0 C--N 1.401 3.312 0 C-N-CA 122.491 2.127 . . . . 72.23 113.901 173.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.51 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.5 tm? -74.56 -41.05 61.22 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.133 0.573 . . . . 73.1 110.019 -174.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.491 HD11 HD11 ' B' ' 104' ' ' LEU . 43.6 tp -61.62 -47.47 85.26 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.808 0.843 . . . . 73.13 110.421 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.52 -52.58 65.04 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.044 -0.98 . . . . 64.14 110.66 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.11 -51.07 47.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 O-C-N 124.18 0.925 . . . . 64.25 112.413 -173.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.7 m -68.72 -40.34 79.96 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 122.725 0.41 . . . . 75.23 111.976 -171.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.5 m -70.87 -30.75 67.22 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.046 0.451 . . . . 73.32 110.94 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' A' ' 109' ' ' LYS . 34.9 ttmt -74.87 -31.93 61.74 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.577 0.751 . . . . 73.53 110.497 178.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.549 HG21 ' HB3' ' A' ' 81' ' ' CYS . 98.8 m -69.54 -46.28 66.82 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.344 0.658 . . . . 55.51 110.66 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.2 p -63.48 -31.92 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-O 120.956 0.408 . . . . 74.43 110.128 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.2 -46.74 79.47 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.463 -0.789 . . . . 63.24 110.587 171.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.4 -34.06 73.39 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.241 0.616 . . . . 74.44 111.545 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 110' ' ' THR . 36.6 mtm -67.9 -43.47 79.2 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.037 0.535 . . . . 65.2 111.194 -178.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.9 pt -75.69 -29.48 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 122.94 0.15 . . . . 73.0 110.783 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -77.41 88.5 3.79 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.302 0.641 . . . . 60.12 109.752 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 N-CA-C 110.547 -1.021 . . . . 44.44 110.547 174.922 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.288 -0.264 . . . . 44.43 110.288 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.62 119.5 11.25 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.603 0.761 . . . . 70.33 109.979 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' B' ' 38' ' ' ASP . 22.0 m -70.04 120.92 18.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 121.516 0.674 . . . . 71.03 109.711 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.549 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 65.5 mttm -80.52 83.85 6.24 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.814 -1.085 . . . . 72.13 110.403 -171.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -76.14 86.81 3.0 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.292 0.567 . . . . 74.05 110.16 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.66 113.92 15.99 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.973 -1.012 . . . . 73.44 109.566 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.3 p -72.85 175.6 6.39 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.404 0.682 . . . . 75.24 112.455 -176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.0 t -60.81 -29.95 69.78 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.926 -1.033 . . . . 65.22 110.999 172.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.417 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 32.9 t70 -88.87 13.68 12.1 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.358 1.063 . . . . 50.43 110.911 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 72.63 -2.31 2.7 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 125.577 1.551 . . . . 74.54 113.667 172.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -78.8 122.79 26.49 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.174 0.443 . . . . 65.41 109.818 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.2 t -90.31 103.71 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.54 1.136 . . . . 64.03 110.397 -172.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -93.13 92.82 7.96 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.71 0.804 . . . . 75.31 110.202 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.549 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 46.8 mt-10 -73.56 84.33 1.54 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.367 -0.833 . . . . 50.23 110.321 176.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.4 tp -93.16 155.95 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 108.533 -0.914 . . . . 41.4 108.533 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.9 135.73 57.69 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 109.717 -0.475 . . . . 74.54 109.717 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -55.54 -41.69 73.56 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.513 1.125 . . . . 75.33 111.176 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -59.22 -33.81 71.43 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.258 1.023 . . . . 74.23 112.407 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 50.0 mt -80.41 -34.22 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.557 0.743 . . . . 65.42 110.046 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.35 -18.69 62.36 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.291 0.637 . . . . 74.41 111.558 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 73.1 m -71.27 -25.2 62.35 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.04 0.536 . . . . 73.44 111.539 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' MET . . . . . 0.438 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 86.1 mtp -61.7 -36.34 80.63 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 121.221 0.534 . . . . 73.23 110.266 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.498 ' HA ' HG12 ' B' ' 100' ' ' ILE . 47.3 t -69.04 109.02 3.78 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.316 -0.994 . . . . 53.42 108.316 168.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.492 ' HB ' ' HB2' ' B' ' 99' ' ' ASP . 91.6 t -61.5 -43.81 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 123.786 0.679 . . . . 73.31 110.609 -177.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 35.6 m -63.09 -50.28 71.16 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.417 0.687 . . . . 70.31 111.9 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 81.9 mt -62.6 -40.93 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 122.876 0.471 . . . . 72.5 110.272 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -62.06 -40.05 94.47 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 123.011 0.525 . . . . 73.24 110.412 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -69.43 -29.85 67.66 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.63 0.372 . . . . 73.24 111.195 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 66.0 mtt -68.16 -39.43 82.59 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.33 0.652 . . . . 75.5 110.248 174.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.407 HG23 ' H ' ' B' ' 37' ' ' SER . 97.4 mt -63.29 -52.85 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 124.011 0.924 . . . . 74.21 109.937 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.13 -28.73 69.63 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.481 1.112 . . . . 75.33 111.413 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.5 -43.52 96.97 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.648 0.779 . . . . 73.41 110.934 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 27.9 mt -91.53 9.26 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 CA-C-N 114.986 -1.006 . . . . 71.52 109.372 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.9 -65.79 3.2 Favored Glycine 0 C--N 1.347 1.147 0 N-CA-C 110.051 -1.22 . . . . 61.11 110.051 -173.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -157.0 149.32 23.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.714 0.805 . . . . 72.41 108.917 167.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.407 ' H ' HG23 ' B' ' 31' ' ' ILE . 74.6 m -142.37 89.62 2.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.489 0.716 . . . . 72.31 110.412 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.446 ' HA ' HG12 ' B' ' 4' ' ' VAL . 18.1 t70 -74.03 -27.84 61.14 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.123 0.969 . . . . 73.12 109.641 174.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.2 p -61.99 160.12 31.96 Favored Pre-proline 0 CA--C 1.564 1.483 0 C-N-CA 125.713 1.605 . . . . 75.44 112.735 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' PRO . . . . . 0.447 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 9.7 Cg_endo -49.71 110.42 0.37 Allowed 'Trans proline' 0 C--N 1.391 2.81 0 C-N-CA 123.677 2.918 . . . . 75.12 114.874 -177.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mm -89.94 112.12 50.41 Favored Pre-proline 0 CA--C 1.545 0.786 0 N-CA-C 108.851 -0.796 . . . . 74.33 108.851 173.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -82.5 129.54 5.79 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.826 2.351 . . . . 72.32 111.405 177.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.41 88.99 4.47 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 108.071 -1.085 . . . . 71.2 108.071 171.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.41 -11.68 20.75 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.816 2.344 . . . . 62.55 113.415 -173.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -79.47 -57.3 3.76 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.349 0.659 . . . . 52.4 110.536 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 11.3 p -89.49 134.23 29.31 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 CA-C-N 115.984 -0.553 . . . . 72.13 111.235 -172.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.5 p -78.85 174.77 11.15 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.236 1.014 . . . . 74.3 111.158 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.9 p -66.69 -46.71 74.72 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.592 0.757 . . . . 70.32 112.488 -173.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 58.4 p -59.41 -43.41 93.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.642 0.777 . . . . 54.01 111.554 -175.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.533 HG23 HD23 ' B' ' 91' ' ' LEU . 46.1 mm -75.46 -47.92 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.23 -0.895 . . . . 51.43 110.34 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.89 -39.35 91.65 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.349 0.66 . . . . 73.53 111.168 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.59 -51.49 69.29 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.156 0.982 . . . . 74.12 110.525 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -62.01 -44.96 95.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.843 -1.072 . . . . 74.13 111.536 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.8 -39.78 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.124 0.57 . . . . 72.54 111.029 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.95 -35.81 67.04 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.073 0.549 . . . . 74.23 111.403 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -72.58 -32.6 66.13 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.241 0.616 . . . . 73.13 110.162 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -71.52 -46.91 58.35 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.932 -0.576 . . . . 74.42 109.805 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.541 ' SG ' HG21 ' B' ' 100' ' ' ILE . 97.2 m -62.2 -31.64 72.19 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.78 0.675 . . . . 73.13 110.781 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 34.0 ttp180 -65.85 -45.88 80.53 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.614 0.571 . . . . 74.25 110.339 174.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -64.67 -35.47 81.13 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.32 0.388 . . . . 71.22 110.799 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -79.29 -15.5 57.86 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.669 0.787 . . . . 74.53 110.511 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' HIS . . . . . 0.438 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 45.7 t60 -81.66 -36.45 28.77 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.29 0.636 . . . . 72.22 109.596 172.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 8.8 mm100 -70.53 -34.38 72.22 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.652 0.595 . . . . 73.43 109.619 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 108.248 -1.019 . . . . 61.43 108.248 178.242 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 65.0 mt . . . . . 0 CA--C 1.547 0.859 0 CA-C-O 118.66 -0.686 . . . . 71.43 109.275 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.25 148.08 93.86 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.653 2.235 . . . . 31.01 112.084 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.54 -34.61 52.88 Favored 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 123.539 2.826 . . . . 64.24 113.829 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -57.09 -55.92 28.41 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 123.039 0.535 . . . . 73.45 110.784 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.39 -28.22 64.92 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.074 0.95 . . . . 62.2 110.942 -170.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -71.87 -51.42 22.42 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.476 0.711 . . . . 70.42 110.625 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -71.17 -22.59 62.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.288 0.635 . . . . 74.32 111.509 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -59.07 -46.03 89.3 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.954 0.902 . . . . 62.01 109.992 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' CYS . . . . . 0.542 ' HB3' HG21 ' B' ' 110' ' ' THR . 69.9 m -70.52 -18.39 62.94 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.718 -1.128 . . . . 45.15 111.596 -178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -79.76 75.52 6.44 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 121.663 0.744 . . . . 74.43 110.684 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 m -123.7 174.3 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.183 0.993 . . . . 54.32 108.781 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.86 157.83 29.49 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.695 -0.483 . . . . 73.3 109.695 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -61.7 -43.03 86.66 Favored Pre-proline 0 CA--C 1.569 1.683 0 CA-C-O 118.428 -0.796 . . . . 74.15 112.281 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.39 -44.12 35.43 Favored 'Trans proline' 0 C--N 1.396 3.041 0 C-N-CA 121.858 1.705 . . . . 74.21 112.23 169.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 14.0 m -66.07 -29.42 69.75 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.98 0.912 . . . . 63.23 111.336 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.51 -45.12 76.71 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.154 0.981 . . . . 73.44 108.79 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -68.46 -30.35 69.19 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.631 -0.713 . . . . 74.23 111.093 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -61.99 -40.29 95.12 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.837 0.455 . . . . 72.24 111.027 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.533 HD23 HG23 ' B' ' 50' ' ' ILE . 98.3 mt -65.81 -42.61 90.44 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.575 0.547 . . . . 72.15 110.324 175.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.24 -42.32 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.596 0.758 . . . . 51.01 110.686 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.73 -27.67 61.31 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.67 0.788 . . . . 75.2 111.217 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.64 67.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.858 0.463 . . . . 75.44 109.789 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.505 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -70.47 -28.09 64.74 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.644 0.777 . . . . 71.21 111.441 177.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -69.9 -41.75 74.3 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.514 1.125 . . . . 62.52 109.431 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -74.74 -34.94 62.63 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.42 1.088 . . . . 72.44 111.646 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.99 -4.69 27.02 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 112.436 0.532 . . . . 72.33 112.436 -173.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.492 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 65.4 m-20 55.81 30.03 15.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.869 1.268 . . . . 74.01 112.526 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.541 HG21 ' SG ' ' B' ' 58' ' ' CYS . 60.0 mt -78.85 94.58 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 109.185 -0.672 . . . . 75.52 109.185 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -56.61 -42.94 98.84 Favored Pre-proline 0 CA--C 1.562 1.405 0 CA-C-O 117.222 -1.37 . . . . 72.41 112.975 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -49.4 -51.95 9.72 Favored 'Trans proline' 0 C--N 1.401 3.3 0 C-N-CA 122.613 2.209 . . . . 53.4 113.935 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.505 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.5 tm? -74.57 -40.81 61.41 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.148 0.579 . . . . 72.3 109.935 -174.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.491 HD11 HD11 ' A' ' 104' ' ' LEU . 42.9 tp -61.53 -47.63 84.7 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.78 0.832 . . . . 75.24 110.53 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.92 -52.58 65.15 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 114.957 -1.02 . . . . 70.12 110.695 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 76.1 t -68.32 -51.28 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 123.995 0.809 . . . . 75.15 112.31 -174.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 32.2 m -68.67 -40.05 80.31 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 122.792 0.437 . . . . 64.34 112.096 -171.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 72.8 m -71.24 -30.83 66.81 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 120.937 0.399 . . . . 64.32 111.014 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -74.81 -31.91 61.83 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.573 0.749 . . . . 71.12 110.568 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' THR . . . . . 0.542 HG21 ' HB3' ' B' ' 81' ' ' CYS . 99.7 m -69.3 -46.25 67.63 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 123.476 0.711 . . . . 61.53 110.647 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 6.7 p -63.87 -31.98 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-O 120.899 0.38 . . . . 75.35 110.101 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.05 78.32 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 115.435 -0.802 . . . . 73.31 110.571 171.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.01 -34.44 73.35 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.114 0.566 . . . . 62.1 111.318 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' B' ' 110' ' ' THR . 35.2 mtm -67.59 -43.85 79.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.082 0.553 . . . . 75.35 111.019 -178.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.0 pt -75.25 -29.47 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 122.225 0.21 . . . . 62.23 110.487 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 . . . . . 0 N--CA 1.471 0.606 0 C-N-CA 123.09 0.556 . . . . 74.0 109.851 178.136 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.501 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 84.0 mt . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 109.752 -0.462 . . . . 74.04 109.752 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.2 m -79.15 127.22 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 121.337 0.589 . . . . 75.14 109.853 173.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.496 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 65.3 mttm -79.94 91.82 5.47 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.309 1.044 . . . . 75.34 110.634 -173.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.6 HD21 HD13 ' A' ' 27' ' ' ILE . 10.7 mp -89.78 90.92 8.41 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.098 0.559 . . . . 75.04 109.739 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -77.65 126.3 30.67 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.697 -0.683 . . . . 73.21 109.331 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.1 p -79.18 174.71 11.29 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.053 0.941 . . . . 63.32 110.767 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.5 p -66.14 -21.03 66.32 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.323 0.649 . . . . 72.23 111.244 173.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.52 13.85 9.36 Favored 'General case' 0 CA--C 1.562 1.408 0 C-N-CA 123.848 0.859 . . . . 72.12 110.779 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 67.97 10.86 8.08 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 125.144 1.377 . . . . 44.32 113.057 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -90.34 122.45 33.24 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.58 -0.526 . . . . 61.51 109.58 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.6 t -90.24 98.68 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 123.792 0.837 . . . . 75.44 110.204 -172.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -90.72 96.0 10.42 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.532 0.733 . . . . 75.31 109.45 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.501 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 39.3 mt-10 -78.89 85.29 4.87 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 114.95 -1.023 . . . . 73.35 109.888 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.562 HD12 ' HB3' ' A' ' 55' ' ' LEU . 6.8 tt -86.45 156.11 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.612 0.765 . . . . 74.52 109.579 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.82 134.32 56.92 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 123.56 0.744 . . . . 73.23 109.587 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -63.08 -38.55 91.64 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.328 1.051 . . . . 62.1 112.508 -169.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -64.39 -31.13 72.21 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.206 0.603 . . . . 62.0 111.664 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.0 mt -81.54 -34.04 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 123.652 0.781 . . . . 71.2 110.973 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -27.72 69.53 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.105 0.562 . . . . 62.45 111.794 177.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 81.1 m -66.56 -22.17 66.15 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.046 0.938 . . . . 72.12 112.714 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 77.6 mtp -63.91 -25.55 68.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.159 0.584 . . . . 70.31 112.101 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 t -80.93 130.17 34.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.573 -0.899 . . . . 72.31 108.573 169.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 57.3 t -63.07 -51.99 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 123.579 0.549 . . . . 64.54 110.108 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 98' ' ' LEU . 87.8 m -60.88 -47.38 86.65 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 123.906 0.754 . . . . 74.12 112.023 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.6 HD13 HD21 ' A' ' 6' ' ' LEU . 83.6 mt -64.73 -42.54 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 122.541 0.337 . . . . 54.31 110.574 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -58.9 -47.58 84.48 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.461 0.704 . . . . 74.31 110.171 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -67.11 -30.41 70.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.342 1.057 . . . . 62.21 111.288 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.2 mmt -65.31 -50.51 65.4 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.475 -0.565 . . . . 72.23 109.475 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.57 -45.01 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.665 0.786 . . . . 70.22 110.248 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.71 -42.2 86.74 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.525 0.73 . . . . 70.23 111.828 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.34 -41.73 89.15 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.721 0.809 . . . . 72.3 110.759 -177.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.5 mt -71.14 -22.32 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.065 0.946 . . . . 63.43 110.515 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.37 60.16 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-N 116.344 -0.389 . . . . 61.43 112.334 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 75.63 116.52 0.06 Allowed 'General case' 0 C--N 1.353 0.724 0 C-N-CA 126.377 1.871 . . . . 75.04 110.633 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.4 m -144.56 150.24 37.16 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.132 0.973 . . . . 53.54 109.387 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -81.48 -3.35 52.79 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.334 0.654 . . . . 71.33 111.074 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 m -52.68 131.07 46.63 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.654 1.181 . . . . 75.12 111.436 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 33.3 Cg_exo -59.5 106.76 0.33 Allowed 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.633 2.222 . . . . 61.43 111.421 176.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.6 mm -66.62 110.2 4.54 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 124.108 0.963 . . . . 75.32 110.152 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -84.31 133.19 5.4 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.293 1.995 . . . . 75.5 111.556 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -118.47 89.43 36.54 Favored Pre-proline 0 CA--C 1.547 0.863 0 N-CA-C 108.483 -0.932 . . . . 73.12 108.483 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -81.61 57.47 6.38 Favored 'Trans proline' 0 C--N 1.378 2.123 0 C-N-CA 123.516 2.81 . . . . 72.13 112.352 -174.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -159.88 -62.47 0.07 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.493 -0.928 . . . . 74.23 108.493 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.02 124.21 37.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 115.623 -0.717 . . . . 75.21 110.018 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.5 p -76.96 175.08 9.88 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.916 0.886 . . . . 74.44 110.731 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 p -64.93 -46.64 80.8 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.853 0.461 . . . . 50.45 111.946 -175.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.9 p -61.39 -43.66 98.48 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.532 0.733 . . . . 73.31 111.222 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.631 HG23 HD23 ' A' ' 91' ' ' LEU . 51.8 mm -73.07 -44.57 56.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.737 -0.665 . . . . 73.33 110.409 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 tp -65.02 -34.09 77.61 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.947 0.499 . . . . 62.44 110.952 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.14 -50.58 72.38 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.037 0.935 . . . . 63.11 109.767 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HD2' HD21 ' A' ' 91' ' ' LEU . 67.6 mttm -61.62 -48.31 81.47 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.31 1.006 . . . . 74.34 111.249 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.477 HG11 HD12 ' A' ' 98' ' ' LEU . 55.6 t -58.61 -49.03 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.256 -0.883 . . . . 71.34 111.015 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 16' ' ' ILE . 68.9 mt -71.13 -29.57 65.4 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.64 0.587 . . . . 74.53 111.976 -176.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -72.09 -40.05 68.49 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.174 0.589 . . . . 73.31 109.416 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -71.54 -37.4 71.14 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.296 0.638 . . . . 75.5 110.925 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 96.3 m -60.99 -39.53 90.01 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.569 0.543 . . . . 43.32 109.677 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 44.3 ttm180 -61.68 -48.1 82.3 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 122.913 0.485 . . . . 60.03 110.85 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -54.46 -48.71 71.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.626 0.77 . . . . 73.24 111.635 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -75.09 -17.33 60.47 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.224 -0.898 . . . . 73.13 110.887 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.478 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 16.9 t60 -80.92 -40.32 24.79 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.799 0.44 . . . . 65.42 110.16 176.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 10.9 mm100 -75.6 -27.88 58.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.454 0.702 . . . . 64.25 110.234 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 . . . . . 0 CA--C 1.551 1.013 0 N-CA-C 108.411 -0.959 . . . . 73.2 108.411 173.754 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mm . . . . . 0 CA--C 1.557 1.215 0 CA-C-O 119.153 -0.451 . . . . 61.23 110.528 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.74 154.11 51.56 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 123.152 2.568 . . . . 62.02 112.945 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.65 -37.98 54.54 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 123.843 3.029 . . . . 72.24 113.267 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -53.3 -50.91 63.94 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.912 0.757 . . . . 73.22 111.66 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.22 -33.38 74.31 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.844 0.857 . . . . 74.21 111.023 -172.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -64.39 -49.02 73.24 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.454 -0.794 . . . . 63.32 109.975 173.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.85 -23.47 63.29 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.553 -0.748 . . . . 64.41 112.182 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -64.74 -42.68 95.02 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.752 0.821 . . . . 72.23 109.59 172.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.422 ' HB3' HG21 ' A' ' 110' ' ' THR . 84.9 m -79.2 -17.68 54.4 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.017 -0.992 . . . . 72.22 111.946 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -76.33 82.22 3.09 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.406 -0.59 . . . . 71.1 109.406 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.1 m -126.45 175.62 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.05 0.94 . . . . 61.13 109.722 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.49 151.4 46.46 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 109.163 -0.681 . . . . 71.44 109.163 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -61.84 -53.36 61.06 Favored Pre-proline 0 CA--C 1.568 1.67 0 CA-C-O 118.374 -0.822 . . . . 72.22 112.167 -164.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.484 ' HA ' HD12 ' B' ' 115' ' ' ILE . 36.5 Cg_endo -66.5 -30.27 43.73 Favored 'Trans proline' 0 C--N 1.387 2.563 0 CA-C-N 121.557 1.592 . . . . 71.14 113.072 172.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.3 m -61.31 -31.29 71.14 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.947 0.899 . . . . 72.0 111.372 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.69 -43.22 98.02 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.806 0.842 . . . . 50.24 109.413 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.502 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 41.7 m-85 -74.63 -31.1 61.88 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.633 -0.712 . . . . 70.14 111.706 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 37.2 mm-40 -63.84 -32.01 73.38 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.858 0.463 . . . . 63.22 110.33 173.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.631 HD23 HG23 ' A' ' 50' ' ' ILE . 69.7 mt -71.49 -36.78 71.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.83 0.852 . . . . 71.34 111.264 172.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.68 -43.08 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 123.428 0.691 . . . . 75.23 110.005 174.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 84.2 mt -69.56 -37.78 77.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.686 0.795 . . . . 64.31 110.662 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.97 -32.3 61.66 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.564 0.746 . . . . 70.14 111.616 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.504 ' HB2' HD22 ' A' ' 103' ' ' LEU . . . -74.21 -28.51 61.29 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.125 0.57 . . . . 75.2 111.08 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -78.84 -36.74 41.99 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.697 0.799 . . . . 55.31 110.287 171.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -65.63 -37.93 87.98 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.554 1.142 . . . . 71.42 111.129 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.477 HD12 HG11 ' A' ' 54' ' ' VAL . 87.9 mt -100.68 -9.33 21.96 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.818 0.847 . . . . 75.45 111.088 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.496 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 29.9 t0 59.57 37.19 22.76 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.346 1.458 . . . . 71.11 112.35 173.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -83.41 105.12 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.806 -0.813 . . . . 64.43 108.806 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -59.13 -48.66 96.04 Favored Pre-proline 0 CA--C 1.565 1.554 0 CA-C-O 117.931 -1.033 . . . . 72.13 112.602 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.81 -50.7 10.83 Favored 'Trans proline' 0 C--N 1.402 3.354 0 C-N-CA 122.324 2.016 . . . . 75.03 112.679 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.504 HD22 ' HB2' ' A' ' 95' ' ' ALA . 3.6 tt -65.22 -43.97 89.76 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.945 0.498 . . . . 73.33 110.23 -175.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.565 HD21 HD21 ' B' ' 104' ' ' LEU . 40.5 tp -63.04 -41.7 99.56 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.154 0.582 . . . . 54.14 110.666 -178.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.94 -53.08 35.33 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.55 0.532 . . . . 53.52 110.187 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.58 -47.41 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.782 0.833 . . . . 75.23 111.66 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.0 m -72.13 -39.89 68.5 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.83 0.452 . . . . 73.34 111.701 -175.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 82.6 m -67.45 -30.88 70.72 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.492 0.317 . . . . 72.42 111.121 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -71.71 -39.13 70.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.236 0.614 . . . . 60.35 110.188 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.422 HG21 ' HB3' ' A' ' 81' ' ' CYS . 98.8 m -57.03 -48.01 79.53 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.208 0.603 . . . . 74.02 111.413 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.443 HG21 ' CZ ' ' A' ' 89' ' ' PHE . 7.7 p -72.75 -35.15 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 116.344 -0.389 . . . . 72.1 111.219 177.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 116' ' ' ARG . . . -60.83 -48.03 83.67 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 123.144 0.578 . . . . 60.42 111.024 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -59.72 -28.42 67.33 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.95 0.9 . . . . 74.4 112.392 -173.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 43.1 mtm -66.78 -43.83 82.95 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.175 0.59 . . . . 72.2 110.372 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.5 pt -101.38 -2.95 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.057 0.943 . . . . 74.45 111.84 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' A' ' 112' ' ' ALA . 1.8 tmt_? -96.98 41.13 1.12 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 108.14 -1.059 . . . . 70.14 108.14 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.509 0 N-CA-C 116.206 1.242 . . . . 50.14 116.206 178.089 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.055 0.455 . . . . 71.13 110.641 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.506 ' HB3' ' HB3' ' B' ' 15' ' ' GLU . 88.0 mt -88.86 118.73 28.78 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.288 -0.869 . . . . 55.34 109.811 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.2 m -78.86 126.44 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-O 121.204 0.526 . . . . 64.42 109.914 173.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.508 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 64.6 mttm -78.84 92.09 4.82 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.336 1.054 . . . . 74.11 110.736 -174.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.598 HD21 HD13 ' B' ' 27' ' ' ILE . 10.6 mp -89.73 91.03 8.48 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.619 -0.511 . . . . 73.51 109.619 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.9 126.6 31.08 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.749 -0.66 . . . . 75.22 109.51 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.2 p -79.46 175.63 10.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.983 0.913 . . . . 63.23 110.752 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.2 p -67.24 -21.02 65.75 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.492 0.717 . . . . 71.02 111.491 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -87.43 13.56 9.76 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 123.981 0.912 . . . . 63.25 110.732 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 68.2 10.9 8.12 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.109 1.364 . . . . 73.12 113.07 173.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -90.62 122.6 33.55 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.853 0.461 . . . . 72.35 109.82 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 48.8 t -89.78 98.05 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 123.997 0.919 . . . . 74.31 110.596 -173.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -90.32 96.76 10.82 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.501 0.72 . . . . 73.34 109.242 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.508 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 39.5 mt-10 -80.52 84.73 6.06 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.372 -0.831 . . . . 72.15 109.798 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' B' ' 55' ' ' LEU . 6.7 tt -85.72 155.92 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 115.637 -0.71 . . . . 53.23 109.621 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.05 133.51 56.16 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 123.574 0.75 . . . . 75.11 109.759 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -62.1 -39.2 91.69 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.466 1.106 . . . . 70.34 112.52 -169.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.72 -31.38 72.53 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.346 0.658 . . . . 71.13 111.873 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mt -81.66 -33.6 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.704 0.802 . . . . 75.4 110.907 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.68 69.4 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.011 0.524 . . . . 65.5 111.849 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 64.2 m -66.62 -22.68 66.11 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.126 0.971 . . . . 55.3 112.63 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 80.3 mtp -62.4 -29.64 70.64 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.289 0.635 . . . . 64.44 111.87 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.422 ' HA ' HG12 ' B' ' 100' ' ' ILE . 29.1 t -77.66 129.36 35.47 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.61 -0.885 . . . . 54.02 108.61 170.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 58.5 t -63.83 -50.52 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 123.705 0.628 . . . . 72.13 110.133 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.425 ' HB ' ' HA ' ' B' ' 98' ' ' LEU . 87.4 m -61.43 -47.99 83.24 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.341 0.656 . . . . 72.53 112.091 -177.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.598 HD13 HD21 ' B' ' 6' ' ' LEU . 83.2 mt -64.25 -42.37 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 122.623 0.369 . . . . 61.11 110.497 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -59.08 -47.6 84.65 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.364 0.665 . . . . 64.15 110.276 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -66.91 -30.4 70.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.181 0.992 . . . . 73.44 111.31 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 21.9 mmt -65.1 -50.47 65.98 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 109.605 -0.517 . . . . 64.32 109.605 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -59.05 -44.65 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.649 0.78 . . . . 74.43 110.225 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -66.54 -41.71 88.29 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.36 0.664 . . . . 62.42 111.628 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.64 -42.15 82.74 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.692 0.797 . . . . 71.3 110.741 -176.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 86.4 mt -69.84 -23.04 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 CA-C-N 115.019 -0.991 . . . . 74.33 110.471 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.71 18.62 58.05 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.208 -0.451 . . . . 71.45 112.261 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 74.7 114.95 0.06 Allowed 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.328 1.851 . . . . 74.21 111.114 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 66.2 m -143.38 151.0 39.9 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 124.284 1.034 . . . . 64.03 109.567 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -81.1 -5.11 57.27 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.594 0.758 . . . . 64.32 111.064 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -51.86 131.04 38.65 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.384 1.073 . . . . 64.31 111.457 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 32.4 Cg_exo -59.62 106.37 0.31 Allowed 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.755 2.303 . . . . 71.22 111.726 177.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 45.5 mm -66.54 109.77 3.88 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 124.118 0.967 . . . . 74.12 110.099 -177.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.65 132.69 4.96 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 122.314 2.009 . . . . 72.41 111.281 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.4 mt -117.7 89.71 33.82 Favored Pre-proline 0 CA--C 1.55 0.95 0 N-CA-C 108.701 -0.851 . . . . 64.52 108.701 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -81.38 57.4 6.41 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.722 2.948 . . . . 71.23 112.585 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -159.83 -63.69 0.07 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.326 -0.99 . . . . 72.41 108.326 -175.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -78.7 124.33 36.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 CA-C-N 115.817 -0.629 . . . . 65.24 110.175 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 73.8 p -76.54 175.1 9.56 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.888 0.875 . . . . 43.51 110.972 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 71.1 p -65.22 -46.1 82.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.943 0.497 . . . . 74.2 111.897 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.402 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 35.2 p -61.1 -43.86 98.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.521 0.729 . . . . 72.21 111.188 -178.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.631 HG23 HD23 ' B' ' 91' ' ' LEU . 51.7 mm -73.67 -44.66 52.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 115.689 -0.687 . . . . 64.32 110.404 -175.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.79 -34.08 77.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.039 0.536 . . . . 64.15 110.753 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.0 -51.41 69.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.916 0.886 . . . . 71.1 109.357 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.53 ' HD2' HD21 ' B' ' 91' ' ' LEU . 67.4 mttm -60.58 -48.8 80.15 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.294 -0.867 . . . . 73.14 111.303 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.486 HG11 HD12 ' B' ' 98' ' ' LEU . 55.5 t -58.33 -49.4 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 124.323 1.014 . . . . 73.31 111.084 -174.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.561 ' HB3' HD12 ' B' ' 16' ' ' ILE . 68.7 mt -70.62 -29.42 65.8 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.222 0.609 . . . . 65.31 112.061 -175.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -72.48 -39.75 67.46 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.4 0.68 . . . . 74.13 109.694 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -72.11 -37.2 69.55 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.699 -0.682 . . . . 74.35 111.009 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 95.3 m -60.99 -39.84 91.21 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.632 0.582 . . . . 72.55 109.664 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.47 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 45.0 ttm180 -61.52 -47.87 83.62 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.414 0.446 . . . . 74.12 110.852 175.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -54.58 -48.77 71.7 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.625 0.77 . . . . 72.34 111.581 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -74.95 -16.87 60.63 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.245 -0.889 . . . . 74.43 111.019 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' HIS . . . . . 0.47 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 15.7 t60 -82.09 -38.45 24.84 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.974 0.51 . . . . 71.44 110.497 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 10.6 mm100 -76.29 -27.96 56.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.46 0.704 . . . . 70.24 110.162 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 . . . . . 0 CA--C 1.551 1.01 0 N-CA-C 108.408 -0.96 . . . . 75.11 108.408 173.729 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 37.8 mm . . . . . 0 CA--C 1.553 1.063 0 CA-C-O 119.462 -0.304 . . . . 44.4 110.314 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.9 152.61 56.59 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.188 2.592 . . . . 71.23 112.932 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -49.0 -39.64 40.59 Favored 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 123.554 2.836 . . . . 70.03 113.24 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -52.27 -51.09 60.48 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.463 0.705 . . . . 73.41 111.742 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.48 -32.94 74.12 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.866 0.866 . . . . 62.32 111.242 -172.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -64.95 -48.45 74.02 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.408 -0.815 . . . . 52.11 109.975 173.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -70.34 -23.65 62.85 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.837 0.71 . . . . 70.22 111.915 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -64.57 -42.31 95.72 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.639 0.776 . . . . 63.44 109.652 172.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' CYS . . . . . 0.401 ' HB3' HG21 ' B' ' 110' ' ' THR . 73.8 m -80.06 -15.49 57.06 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.169 -0.923 . . . . 55.34 111.887 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -77.9 83.37 4.23 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 109.388 -0.597 . . . . 63.34 109.388 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 24.7 m -127.91 175.44 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.149 0.98 . . . . 71.11 109.934 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.9 151.21 46.23 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.605 0.762 . . . . 72.24 109.244 175.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -54.79 49.21 Favored Pre-proline 0 CA--C 1.567 1.602 0 CA-C-O 118.378 -0.82 . . . . 64.23 112.218 -165.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.418 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 38.1 Cg_endo -66.69 -29.43 43.1 Favored 'Trans proline' 0 C--N 1.387 2.574 0 CA-C-N 121.585 1.602 . . . . 73.03 112.621 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -60.84 -31.38 70.82 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.043 0.937 . . . . 75.32 111.39 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.13 -43.19 99.27 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.133 0.973 . . . . 74.31 109.392 175.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.461 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 48.8 m-85 -73.81 -31.09 63.07 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.563 -0.744 . . . . 51.31 111.552 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 37.2 mm-40 -64.15 -32.25 73.75 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.931 0.492 . . . . 71.51 110.492 174.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.631 HD23 HG23 ' B' ' 50' ' ' ILE . 70.2 mt -71.34 -36.97 71.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.879 0.871 . . . . 73.22 111.215 172.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.53 -43.78 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 123.51 0.724 . . . . 72.51 109.999 174.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 90.0 mt -69.24 -37.26 77.9 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.767 0.827 . . . . 74.23 110.625 -177.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.09 -32.33 61.42 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.388 0.675 . . . . 52.4 111.586 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.506 ' HB2' HD22 ' B' ' 103' ' ' LEU . . . -74.47 -28.82 61.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.073 0.549 . . . . 72.23 111.174 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -78.35 -36.85 45.59 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.637 0.775 . . . . 71.34 110.199 170.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -65.06 -38.09 89.68 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.192 0.997 . . . . 64.51 111.22 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.486 HD12 HG11 ' B' ' 54' ' ' VAL . 89.7 mt -100.5 -8.77 22.77 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.817 0.847 . . . . 71.0 111.112 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.495 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 24.0 t0 59.73 35.85 22.24 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.449 1.5 . . . . 64.41 112.105 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' B' ' 24' ' ' SER . 54.8 mt -82.59 105.81 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.788 -0.819 . . . . 74.14 108.788 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.414 ' HB2' ' HD3' ' B' ' 102' ' ' PRO . 72.9 mmtt -59.28 -49.51 92.33 Favored Pre-proline 0 CA--C 1.566 1.564 0 CA-C-O 118.202 -0.904 . . . . 71.53 112.724 -174.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' B' ' 101' ' ' LYS . 50.9 Cg_exo -56.7 -50.52 11.46 Favored 'Trans proline' 0 C--N 1.401 3.302 0 C-N-CA 122.315 2.01 . . . . 75.12 112.695 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' B' ' 95' ' ' ALA . 3.6 tt -65.32 -43.99 89.25 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.979 0.512 . . . . 75.2 110.195 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 104' ' ' LEU . 39.9 tp -63.34 -41.56 98.87 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.197 0.599 . . . . 74.1 110.673 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -67.24 -52.2 43.83 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.591 0.557 . . . . 70.32 110.286 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.65 -47.85 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.816 0.847 . . . . 73.32 111.75 -176.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 33.6 m -71.79 -40.05 69.47 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 122.839 0.456 . . . . 74.5 111.648 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 78.5 m -67.52 -30.78 70.53 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.569 0.348 . . . . 64.21 111.173 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -71.49 -38.75 71.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.112 0.565 . . . . 73.4 110.285 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' THR . . . . . 0.401 HG21 ' HB3' ' B' ' 81' ' ' CYS . 99.2 m -57.18 -47.85 80.22 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.082 0.553 . . . . 72.54 111.319 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.02 -34.28 38.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 115.946 -0.57 . . . . 65.54 111.168 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' B' ' 116' ' ' ARG . . . -61.7 -47.49 85.05 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.105 0.562 . . . . 73.4 111.045 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -59.28 -28.27 66.59 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.921 0.888 . . . . 75.35 112.257 -173.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 44.5 mtm -67.23 -44.23 79.99 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.421 0.689 . . . . 75.43 110.417 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 86' ' ' PRO . 27.9 pt -101.29 -7.78 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.179 -0.919 . . . . 63.52 112.432 -172.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' B' ' 112' ' ' ALA . 2.2 tmt_? . . . . . 0 N--CA 1.48 1.07 0 C-N-CA 123.279 0.631 . . . . 61.32 110.112 -175.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 109.643 -0.503 . . . . 74.33 109.643 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 m -89.49 127.31 42.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 121.361 0.601 . . . . 62.05 109.468 175.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.554 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 60.6 mttp -82.88 109.08 16.69 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.332 1.053 . . . . 74.3 110.317 -175.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.521 HD21 HD13 ' A' ' 27' ' ' ILE . 11.3 mp -105.48 99.02 8.64 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.199 0.6 . . . . 63.41 109.395 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -79.06 124.18 28.04 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.24 -0.652 . . . . 65.33 109.24 174.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 p -82.2 179.96 7.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.553 0.741 . . . . 65.34 111.163 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 m -68.19 -17.93 64.45 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.045 0.938 . . . . 75.3 111.72 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.545 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 31.1 t70 -95.15 14.76 21.01 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.924 0.89 . . . . 74.54 110.163 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 67.02 12.97 9.29 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 124.781 1.232 . . . . 64.25 112.931 175.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -92.28 121.86 34.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.146 0.579 . . . . 73.51 110.049 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.5 t -90.21 119.85 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 123.786 0.834 . . . . 71.43 109.492 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -112.01 104.14 12.38 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.051 0.94 . . . . 74.13 108.497 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 32.8 mt-10 -82.93 78.5 9.5 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.725 0.81 . . . . 62.25 109.58 -177.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.454 HD12 ' HB3' ' A' ' 55' ' ' LEU . 6.2 tt -79.75 149.54 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.308 -0.86 . . . . 71.31 109.735 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -57.66 124.51 19.34 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.936 0.894 . . . . 72.42 109.697 171.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -55.57 -41.81 73.86 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.102 0.961 . . . . 63.44 112.022 -173.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.05 -35.11 70.86 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.158 0.983 . . . . 51.44 111.573 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 59' ' ' ARG . 51.6 mt -81.72 -35.22 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.951 -1.022 . . . . 72.45 110.78 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.76 -17.86 64.68 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.414 0.685 . . . . 71.31 111.739 175.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 70.9 m -70.17 -23.69 63.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.853 0.861 . . . . 65.32 112.632 176.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.0 mtm -66.44 -29.97 70.22 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 121.085 0.469 . . . . 71.34 110.545 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.581 ' HA ' HG12 ' A' ' 100' ' ' ILE . 48.1 t -76.26 114.54 15.05 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 108.109 -1.071 . . . . 72.53 108.109 168.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 35.7 t -63.43 -47.66 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 O-C-N 123.672 0.608 . . . . 64.12 110.437 -175.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.3 m -62.55 -49.8 73.88 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.267 0.627 . . . . 60.34 112.106 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.521 HD13 HD21 ' A' ' 6' ' ' LEU . 97.6 mt -61.5 -43.46 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 123.072 0.549 . . . . 70.43 110.312 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 23.3 ttpp -59.01 -45.33 90.94 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.485 0.714 . . . . 74.45 110.483 176.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -69.28 -30.3 68.36 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.406 0.682 . . . . 72.22 111.368 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.2 mtt -63.76 -47.0 82.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.244 0.618 . . . . 75.23 109.542 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.82 -44.53 98.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.892 0.877 . . . . 64.22 110.259 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.94 -40.35 91.29 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.58 0.752 . . . . 75.15 111.466 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -66.02 -44.19 85.45 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.782 0.833 . . . . 73.03 110.524 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.2 mm -66.9 -32.01 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.502 0.721 . . . . 62.44 110.108 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.15 16.98 65.89 Favored Glycine 0 C--N 1.348 1.236 0 N-CA-C 111.349 -0.701 . . . . 53.24 111.349 -169.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 71.92 141.05 0.05 Allowed 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.436 1.894 . . . . 64.31 111.139 -175.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.5 t -150.1 160.91 43.29 Favored 'General case' 0 C--O 1.244 0.77 0 C-N-CA 123.268 0.627 . . . . 73.33 109.386 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -76.05 -12.98 60.22 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.5 -0.773 . . . . 42.55 110.51 172.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -64.98 123.91 85.18 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 123.469 0.708 . . . . 65.14 110.696 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -59.07 117.84 4.64 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.834 2.356 . . . . 74.13 111.846 173.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.75 110.51 3.5 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.686 0.794 . . . . 73.34 109.736 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -90.01 116.61 0.64 Allowed 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.635 2.223 . . . . 71.12 111.902 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -98.25 100.46 9.06 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 108.593 -0.891 . . . . 71.33 108.593 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -87.77 41.86 0.71 Allowed 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 123.309 2.673 . . . . 74.33 112.549 -174.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -140.05 -54.2 0.53 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.769 0.827 . . . . 74.24 109.368 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.404 HG11 HD13 ' A' ' 51' ' ' LEU . 12.6 p -88.49 130.58 37.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 123.182 0.593 . . . . 72.23 110.782 -174.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.3 p -78.64 175.27 10.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.232 1.013 . . . . 74.43 111.092 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.545 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 52.0 p -63.29 -48.49 77.89 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.784 0.661 . . . . 53.22 112.784 -174.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 58.3 p -65.79 -39.98 91.49 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.121 0.568 . . . . 71.12 110.95 -176.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.582 HG23 HD23 ' A' ' 91' ' ' LEU . 50.2 mm -74.8 -41.95 47.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.764 -0.653 . . . . 50.21 110.397 -176.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 6' ' ' LEU . 44.7 tp -66.63 -44.53 81.76 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.83 -0.433 . . . . 62.2 109.83 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -55.16 -45.5 75.69 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.82 0.7 . . . . 73.14 110.303 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 49' ' ' THR . 25.1 tttp -66.56 -46.52 75.77 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 114.055 -1.43 . . . . 74.11 110.559 -173.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.425 HG11 HD12 ' A' ' 98' ' ' LEU . 55.3 t -63.09 -47.91 90.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.106 0.879 . . . . 41.1 110.719 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 82.5 mt -65.17 -42.59 93.55 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.707 0.629 . . . . 75.44 110.945 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.44 -32.81 66.61 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.697 0.799 . . . . 71.34 110.72 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.448 ' HA ' ' HE2' ' A' ' 76' ' ' TYR . 78.4 t80 -62.76 -45.67 91.62 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.532 -0.758 . . . . 75.33 110.282 171.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 99.2 m -63.55 -37.25 86.6 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 124.222 0.951 . . . . 62.01 110.577 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.59 ' HA ' HD13 ' A' ' 20' ' ' ILE . 75.3 mtp180 -67.49 -47.91 68.65 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.07 0.548 . . . . 75.2 110.246 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -61.36 -43.16 99.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.811 0.844 . . . . 62.55 111.249 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -73.79 -25.44 60.13 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.629 -0.714 . . . . 74.54 110.095 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -76.77 -31.89 57.34 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.867 0.467 . . . . 75.22 110.1 174.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -82.73 -10.88 58.7 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.561 0.744 . . . . 73.42 111.33 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 CA--C 1.552 1.027 0 C-N-CA 123.772 0.829 . . . . 73.15 109.359 171.238 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.7 mt . . . . . 0 CA--C 1.546 0.824 0 N-CA-C 108.026 -1.101 . . . . 73.12 108.026 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.58 152.33 56.25 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.367 2.711 . . . . 51.54 112.619 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -46.75 -52.13 8.04 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.945 3.096 . . . . 75.12 113.537 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.448 ' HE2' ' HA ' ' A' ' 57' ' ' TYR . 81.4 t80 -62.04 -41.63 98.32 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.934 0.493 . . . . 71.55 111.803 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.84 -28.25 68.84 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.977 0.511 . . . . 72.31 110.909 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.34 -39.15 54.74 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.601 0.76 . . . . 63.43 109.388 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -69.51 -22.93 63.55 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 123.781 0.833 . . . . 75.52 111.283 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -65.41 -34.08 77.45 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.442 1.097 . . . . 71.43 110.102 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 63.6 m -80.14 -7.33 58.87 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.096 0.959 . . . . 74.3 111.96 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -79.94 72.92 6.72 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.734 0.814 . . . . 73.32 110.921 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 m -142.72 156.87 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.812 0.845 . . . . 64.23 110.393 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.37 158.83 33.24 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.237 -0.892 . . . . 74.0 109.357 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -51.0 -55.57 26.8 Favored Pre-proline 0 CA--C 1.564 1.49 0 CA-C-O 117.163 -1.399 . . . . 74.34 113.44 -173.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.493 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 72.2 Cg_exo -51.46 -48.21 22.39 Favored 'Trans proline' 0 C--N 1.393 2.875 0 C-N-CA 121.988 1.792 . . . . 72.03 112.025 176.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.5 m -63.02 -33.39 75.32 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.027 0.931 . . . . 73.11 111.781 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 tt -72.33 -43.84 63.52 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.206 1.003 . . . . 64.5 109.626 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -73.45 -26.55 60.98 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.305 0.642 . . . . 71.25 111.007 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 56.5 mm-40 -60.73 -35.08 75.47 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.811 0.444 . . . . 73.33 111.008 169.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.582 HD23 HG23 ' A' ' 50' ' ' ILE . 96.4 mt -68.26 -34.37 76.08 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.236 0.615 . . . . 72.41 111.304 175.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.3 mt -70.54 -42.77 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 123.539 0.736 . . . . 71.54 110.276 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.37 -35.92 82.44 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.87 0.868 . . . . 72.44 110.335 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.96 -33.61 59.79 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.468 0.707 . . . . 41.12 110.908 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.72 70.15 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.732 0.413 . . . . 53.02 110.956 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -79.69 -42.25 25.13 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.81 0.844 . . . . 75.43 110.602 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.17 -40.78 90.75 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.854 0.862 . . . . 74.22 110.944 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.425 HD12 HG11 ' A' ' 54' ' ' VAL . 72.7 mt -90.97 -5.51 55.32 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.52 0.728 . . . . 73.14 110.945 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 5.8 t70 62.32 26.86 16.07 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.365 1.466 . . . . 62.4 111.577 172.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.581 HG12 ' HA ' ' A' ' 24' ' ' SER . 14.3 mt -81.92 89.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.566 0 N-CA-C 108.379 -0.971 . . . . 74.34 108.379 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -58.77 -42.79 96.11 Favored Pre-proline 0 CA--C 1.565 1.545 0 CA-C-O 117.924 -1.036 . . . . 72.03 113.485 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 106' ' ' VAL . 18.2 Cg_endo -59.63 -40.93 60.7 Favored 'Trans proline' 0 C--N 1.388 2.615 0 CA-C-N 121.543 1.587 . . . . 61.2 112.695 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.15 -44.24 84.7 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.145 0.578 . . . . 73.23 110.386 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.43 -45.09 76.79 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.435 1.085 . . . . 71.12 110.076 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.27 -48.85 74.12 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.061 0.944 . . . . 63.42 111.477 -177.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 102' ' ' PRO . 74.0 t -57.02 -48.93 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.343 0.657 . . . . 72.41 110.929 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.6 m -70.41 -31.18 68.27 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.275 0.63 . . . . 42.42 111.824 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 88.7 m -72.72 -29.5 63.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.5 0.72 . . . . 74.15 111.244 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -39.73 63.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.041 0.536 . . . . 70.24 109.696 174.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -59.26 -49.89 76.09 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.528 0.731 . . . . 72.11 111.686 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.5 m -63.14 -37.8 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 122.412 0.285 . . . . 74.54 110.735 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.39 -27.9 68.21 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.548 0.739 . . . . 61.43 111.767 178.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -80.55 -33.49 36.2 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.772 0.829 . . . . 72.42 111.53 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 49.7 mtm -71.23 -39.18 71.86 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.088 0.471 . . . . 75.01 110.704 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' B' ' 86' ' ' PRO . 19.7 pt -89.29 -2.35 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.479 0.712 . . . . 62.44 111.586 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -59.48 98.69 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.398 0.679 . . . . 62.35 111.516 -168.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 CA-C-N 115.323 -0.853 . . . . 55.2 111.349 177.07 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 120.941 0.401 . . . . 64.15 111.337 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 78.8 mt -77.98 128.04 33.28 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.954 -0.567 . . . . 72.44 109.623 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.7 m -89.59 126.95 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-O 121.388 0.613 . . . . 65.24 109.369 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.553 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 61.3 mttp -82.44 110.38 17.51 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.113 0.965 . . . . 72.11 110.52 -176.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.542 HD21 HD13 ' B' ' 27' ' ' ILE . 11.2 mp -106.36 98.67 8.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.484 0.714 . . . . 60.12 109.422 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -79.38 123.63 27.67 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.351 -0.611 . . . . 74.21 109.351 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 64.1 p -82.09 -179.95 7.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.602 0.761 . . . . 63.2 111.389 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -67.65 -20.46 65.32 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.718 0.807 . . . . 72.33 111.644 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.543 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 36.3 t70 -92.14 13.23 19.6 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.177 0.991 . . . . 75.23 110.62 175.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 68.43 11.9 8.52 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 125.022 1.329 . . . . 75.44 113.028 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -90.51 121.84 32.81 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.281 0.632 . . . . 73.2 110.012 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 51.7 t -90.13 118.82 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.825 0.85 . . . . 51.3 109.521 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -111.35 104.87 13.36 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 124.127 0.971 . . . . 64.54 108.386 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.553 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 32.6 mt-10 -84.16 78.99 9.67 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.356 -0.838 . . . . 75.04 109.352 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.438 HD12 ' HB3' ' B' ' 55' ' ' LEU . 6.0 tt -79.71 149.49 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.298 -0.865 . . . . 72.31 109.69 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.31 124.44 18.9 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.083 0.953 . . . . 74.52 109.686 171.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -55.84 -41.55 74.44 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.959 0.904 . . . . 75.21 112.059 -173.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -58.39 -34.4 70.68 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.989 0.915 . . . . 64.12 111.67 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' B' ' 59' ' ' ARG . 50.5 mt -82.31 -34.76 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 115.056 -0.975 . . . . 64.34 110.818 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.37 -17.77 64.32 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.392 0.677 . . . . 64.12 111.74 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' CYS . . . . . 0.478 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 85.9 m -70.44 -23.23 62.68 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.966 0.906 . . . . 64.33 112.828 176.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 19.5 mtm -66.33 -29.96 70.26 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.151 0.501 . . . . 72.54 110.689 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.591 ' HA ' HG12 ' B' ' 100' ' ' ILE . 48.3 t -76.75 114.46 15.54 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.003 -1.11 . . . . 74.14 108.003 168.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.415 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 37.8 t -63.34 -47.48 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 O-C-N 123.837 0.711 . . . . 73.25 110.529 -175.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 89.0 m -62.16 -50.38 72.07 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.335 0.654 . . . . 60.44 112.182 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.542 HD13 HD21 ' B' ' 6' ' ' LEU . 97.5 mt -61.51 -43.5 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.251 0.62 . . . . 74.23 110.239 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.478 ' HB2' ' HA ' ' B' ' 22' ' ' CYS . 22.9 ttpp -59.04 -45.46 90.71 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.488 0.715 . . . . 74.41 110.512 176.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -69.08 -29.9 68.1 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.429 0.692 . . . . 72.25 111.419 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.5 mtt -64.18 -47.02 81.43 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.192 0.597 . . . . 73.02 109.612 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 82.8 mt -63.52 -44.8 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 C-N-CA 123.977 0.911 . . . . 62.42 110.145 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.18 -39.11 89.47 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.563 0.745 . . . . 74.24 111.666 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.7 -43.89 79.01 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.544 0.738 . . . . 74.45 110.442 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.79 -31.72 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.464 0.706 . . . . 65.43 110.218 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.64 18.1 66.75 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.781 -0.645 . . . . 70.41 111.663 -169.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 71.16 141.49 0.05 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.619 1.968 . . . . 74.12 111.245 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 44.5 t -151.18 160.48 43.83 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.67 0.788 . . . . 60.22 109.427 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.57 -11.07 59.82 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.253 0.621 . . . . 74.25 110.67 173.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -65.4 124.09 86.15 Favored Pre-proline 0 CA--C 1.559 1.323 0 C-N-CA 123.544 0.738 . . . . 65.31 110.214 175.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.78 117.67 4.43 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.947 2.431 . . . . 75.04 111.862 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -62.84 110.58 3.6 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 123.938 0.895 . . . . 75.22 109.468 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -91.25 114.7 0.41 Allowed 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.497 2.132 . . . . 73.25 112.072 -178.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mp -96.19 101.47 8.66 Favored Pre-proline 0 CA--C 1.558 1.287 0 N-CA-C 108.761 -0.829 . . . . 75.02 108.761 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -88.05 42.52 0.74 Allowed 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.551 2.834 . . . . 63.42 112.49 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -141.67 -52.68 0.44 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.552 0.741 . . . . 53.22 109.959 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.414 HG11 HD13 ' B' ' 51' ' ' LEU . 12.7 p -89.86 130.68 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 CA-C-N 115.651 -0.704 . . . . 71.43 110.777 -175.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 68.3 p -78.88 175.57 10.39 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.917 0.887 . . . . 52.34 110.987 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.543 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 43.3 p -62.61 -49.19 76.21 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.192 0.597 . . . . 52.41 112.582 -174.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' B' ' 53' ' ' LYS . 56.4 p -65.58 -40.46 92.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.213 0.605 . . . . 74.33 110.986 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.573 HG23 HD23 ' B' ' 91' ' ' LEU . 50.6 mm -74.73 -41.52 47.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 CA-C-N 115.924 -0.58 . . . . 73.24 110.329 -176.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' B' ' 6' ' ' LEU . 46.1 tp -66.87 -44.85 79.87 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.805 -0.443 . . . . 65.31 109.805 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -55.1 -45.25 75.47 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.525 0.73 . . . . 75.32 110.039 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' B' ' 49' ' ' THR . 23.4 tttp -66.46 -46.38 76.57 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.234 -1.348 . . . . 75.14 110.62 -172.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.432 HG11 HD12 ' B' ' 98' ' ' LEU . 54.8 t -63.36 -47.7 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 124.15 0.906 . . . . 65.25 110.699 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' B' ' 59' ' ' ARG . 82.0 mt -65.49 -42.62 91.99 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.598 0.561 . . . . 73.23 110.839 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.94 -32.52 67.41 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.758 0.823 . . . . 63.52 110.437 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' TYR . . . . . 0.45 ' HA ' ' HE2' ' B' ' 76' ' ' TYR . 78.5 t80 -63.65 -45.86 88.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.748 0.819 . . . . 73.31 110.297 171.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.17 -37.65 88.05 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.223 0.952 . . . . 54.23 110.512 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.577 ' HA ' HD13 ' B' ' 20' ' ' ILE . 76.3 mtp180 -66.88 -47.64 71.21 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.042 0.537 . . . . 64.4 110.397 179.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -61.24 -43.77 98.34 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.63 0.772 . . . . 61.42 111.553 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -74.07 -25.06 59.62 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.518 -0.764 . . . . 65.25 109.908 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -76.67 -32.6 58.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.85 0.46 . . . . 41.05 110.111 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 82.3 mm-40 -81.6 -11.9 58.94 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.644 0.778 . . . . 72.33 111.453 177.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 . . . . . 0 CA--C 1.556 1.207 0 C-N-CA 123.978 0.911 . . . . 73.31 109.477 171.257 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 55.1 mt . . . . . 0 CA--C 1.551 0.982 0 N-CA-C 108.084 -1.08 . . . . 74.13 108.084 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.5 151.43 61.96 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.415 2.744 . . . . 72.13 112.719 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -45.75 -52.56 6.71 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.911 3.074 . . . . 75.23 113.619 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' TYR . . . . . 0.45 ' HE2' ' HA ' ' B' ' 57' ' ' TYR . 81.6 t80 -61.21 -41.91 97.67 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.178 0.591 . . . . 73.33 111.792 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.96 -28.35 68.84 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.211 0.604 . . . . 75.52 110.821 -177.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -75.91 -39.17 56.84 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.55 0.74 . . . . 74.32 109.48 173.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -70.03 -22.95 63.05 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.796 0.838 . . . . 63.3 111.471 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.8 -34.72 79.03 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.362 1.065 . . . . 75.25 110.019 176.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.9 m -79.17 -8.72 59.22 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.091 -0.959 . . . . 74.41 111.89 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -79.13 74.31 5.69 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.766 0.826 . . . . 65.55 110.886 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 m -143.86 157.67 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.931 0.892 . . . . 71.22 109.954 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -75.13 158.88 32.36 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.955 0.902 . . . . 64.31 109.462 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.401 ' O ' ' HD2' ' B' ' 89' ' ' PHE . 15.7 mm100 -50.78 -54.87 31.91 Favored Pre-proline 0 N--CA 1.489 1.483 0 CA-C-O 117.269 -1.348 . . . . 73.31 113.087 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.684 ' HA ' HD12 ' A' ' 115' ' ' ILE . 72.9 Cg_exo -50.98 -50.04 15.12 Favored 'Trans proline' 0 C--N 1.394 2.971 0 CA-C-N 121.981 1.743 . . . . 64.25 112.518 175.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.0 m -62.06 -33.02 73.62 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 123.972 0.909 . . . . 62.23 111.97 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tt -72.67 -44.16 62.17 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.02 0.928 . . . . 75.32 109.854 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' A' ' 115' ' ' ILE . 97.2 m-85 -74.5 -26.09 59.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.974 -0.557 . . . . 72.24 111.266 177.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 52.9 mm-40 -59.89 -34.74 73.58 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.641 0.376 . . . . 75.5 110.887 169.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.573 HD23 HG23 ' B' ' 50' ' ' ILE . 96.4 mt -68.43 -34.36 75.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.333 0.653 . . . . 50.31 111.43 174.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 54.4 mt -70.7 -42.34 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 C-N-CA 123.63 0.772 . . . . 75.05 110.089 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.46 -36.53 84.18 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.981 0.913 . . . . 75.11 110.469 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.97 -33.39 59.77 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.547 0.739 . . . . 71.12 110.86 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.3 -31.87 70.65 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.783 0.433 . . . . 63.52 111.035 177.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -79.78 -42.43 24.48 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.561 0.744 . . . . 63.41 110.294 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -66.76 -37.69 85.1 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.513 0.725 . . . . 63.43 111.243 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.432 HD12 HG11 ' B' ' 54' ' ' VAL . 74.1 mt -93.23 -3.99 52.73 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.279 0.632 . . . . 73.42 111.017 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.415 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 9.8 t70 60.87 26.13 16.02 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.298 1.439 . . . . 62.13 111.697 173.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.591 HG12 ' HA ' ' B' ' 24' ' ' SER . 14.3 mt -81.36 89.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 108.472 -0.936 . . . . 63.34 108.472 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -58.67 -42.6 95.22 Favored Pre-proline 0 CA--C 1.564 1.489 0 C-N-CA 124.252 1.021 . . . . 73.15 113.497 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 102' ' ' PRO . . . . . 0.424 ' O ' HG23 ' B' ' 106' ' ' VAL . 18.1 Cg_endo -59.6 -40.98 60.54 Favored 'Trans proline' 0 C--N 1.39 2.712 0 CA-C-N 121.641 1.622 . . . . 53.41 112.876 175.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 62.4 tp -66.19 -44.37 84.14 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.105 0.562 . . . . 75.33 110.312 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -54.59 -45.97 73.68 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.388 1.055 . . . . 61.03 110.238 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.46 -47.61 78.41 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.351 1.032 . . . . 63.54 111.315 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 102' ' ' PRO . 72.8 t -57.87 -49.18 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.181 0.593 . . . . 61.1 110.765 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 8.9 m -70.27 -30.76 67.87 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 123.323 0.649 . . . . 71.33 111.926 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.8 -29.44 63.26 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.585 0.754 . . . . 74.54 111.182 176.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -74.19 -40.1 62.74 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.932 0.493 . . . . 54.05 109.711 174.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.2 m -58.96 -49.71 76.83 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 123.458 0.703 . . . . 72.52 111.57 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 30.9 m -63.37 -37.8 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.371 0.268 . . . . 74.21 111.014 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.49 -28.81 68.86 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.563 0.745 . . . . 53.45 111.393 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.29 -34.4 42.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.965 0.906 . . . . 70.35 111.696 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' MET . . . . . 0.403 ' HB2' ' HE2' ' B' ' 114' ' ' MET . 51.4 mtm -70.76 -39.03 73.5 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 121.09 0.471 . . . . 74.0 110.588 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.8 pt -89.14 -1.38 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.683 0.793 . . . . 72.11 111.642 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 . . . . . 0 N--CA 1.476 0.841 0 C-N-CA 123.479 0.712 . . . . 71.11 111.593 -170.031 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 110.465 -0.198 . . . . 73.22 110.465 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.8 m -83.65 126.11 40.15 Favored 'Isoleucine or valine' 0 C--O 1.244 0.816 0 N-CA-C 108.767 -0.827 . . . . 71.35 108.767 170.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HD2' ' HG3' ' A' ' 40' ' ' PRO . 91.3 mttt -90.35 88.58 7.25 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.552 -0.749 . . . . 71.33 109.987 -173.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.4 mt -83.54 94.45 8.05 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.458 -0.792 . . . . 74.51 109.727 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -79.27 133.73 36.65 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.151 -0.685 . . . . 74.1 109.151 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 p -84.75 176.57 8.46 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.739 0.815 . . . . 62.42 111.037 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.6 p -68.93 -22.84 64.12 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.722 0.809 . . . . 62.55 110.98 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -84.76 5.69 27.4 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 124.47 1.108 . . . . 74.32 110.855 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 67.57 20.41 9.69 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.599 1.56 . . . . 74.43 112.954 173.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -88.05 122.35 31.53 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 109.344 -0.613 . . . . 73.51 109.344 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -91.03 105.26 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.181 0.993 . . . . 74.05 109.964 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -93.25 102.18 14.46 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.642 0.777 . . . . 74.43 109.229 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 34.4 mt-10 -82.87 78.6 9.44 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 123.699 0.8 . . . . 72.14 109.597 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.58 HD12 ' HB3' ' A' ' 55' ' ' LEU . 13.8 tt -93.85 150.12 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.133 0.973 . . . . 74.31 109.392 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 138.86 58.63 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.374 0.669 . . . . 64.4 109.955 -178.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.61 -37.74 79.39 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.755 0.659 . . . . 75.14 111.419 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -54.23 -36.97 64.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.793 0.837 . . . . 73.04 111.628 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.0 mt -78.09 -38.81 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.392 -0.822 . . . . 64.23 109.9 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.47 -9.47 58.61 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.035 0.934 . . . . 13.43 112.514 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -70.65 -32.34 69.6 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.054 0.542 . . . . 51.52 110.842 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.5 mtm -63.57 -31.29 72.41 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.338 0.589 . . . . 73.22 110.365 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.429 ' HA ' HG12 ' A' ' 100' ' ' ILE . 33.1 t -76.08 104.85 6.81 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.705 -1.134 . . . . 64.31 108.193 168.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.8 -38.07 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.589 0.556 . . . . 74.12 111.682 -171.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.8 m -64.37 -42.73 96.02 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.384 0.273 . . . . 72.43 111.219 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.418 ' O ' HG13 ' A' ' 31' ' ' ILE . 87.1 mt -67.17 -45.25 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.133 0.573 . . . . 73.3 110.042 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -56.21 -44.59 79.65 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.859 0.864 . . . . 74.4 110.43 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -68.01 -32.51 72.94 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.132 -0.94 . . . . 72.11 111.329 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.1 mtt -68.57 -36.98 79.49 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 123.77 0.669 . . . . 73.24 110.683 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 27' ' ' ILE . 83.7 mt -64.18 -46.2 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.19 -0.67 . . . . 70.44 109.19 176.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.66 -32.23 71.92 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.847 0.859 . . . . 64.2 111.568 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.59 -43.86 79.52 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.567 1.147 . . . . 62.43 110.747 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -80.03 -20.88 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 124.387 1.075 . . . . 74.23 110.205 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.86 -46.7 1.37 Allowed Glycine 0 C--N 1.346 1.118 0 N-CA-C 110.049 -1.221 . . . . 64.51 110.049 -172.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -162.19 108.67 1.29 Allowed 'General case' 0 C--O 1.244 0.815 0 C-N-CA 124.885 1.274 . . . . 74.05 107.914 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.0 m -75.64 80.27 2.62 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.637 0.732 . . . . 63.12 109.821 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.89 -35.98 57.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 114.808 -1.087 . . . . 60.15 109.61 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 p -78.47 149.52 75.33 Favored Pre-proline 0 CA--C 1.555 1.154 0 CA-C-N 115.131 -0.941 . . . . 55.52 111.003 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.494 ' HG3' ' HD2' ' A' ' 5' ' ' LYS . 52.5 Cg_exo -57.45 130.3 38.38 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 123.163 2.576 . . . . 74.35 112.238 175.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mm -91.46 109.05 33.46 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 123.307 0.643 . . . . 71.01 109.346 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.96 129.83 10.9 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.675 2.25 . . . . 52.22 110.551 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.2 mt -114.63 93.35 32.57 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 108.067 -1.086 . . . . 62.13 108.067 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -82.33 35.57 0.58 Allowed 'Trans proline' 0 C--N 1.381 2.238 0 C-N-CA 123.493 2.795 . . . . 73.15 112.748 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -133.38 -66.44 0.65 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.308 1.043 . . . . 74.42 108.872 -174.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -79.78 126.47 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-N 115.625 -0.716 . . . . 74.31 110.28 -175.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.3 p -73.54 169.48 17.15 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.518 0.727 . . . . 72.11 111.034 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -62.11 -45.17 94.67 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.543 0.737 . . . . 71.21 111.694 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 35.8 p -57.03 -51.15 70.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 124.4 1.063 . . . . 73.03 111.236 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.55 HG23 HD23 ' A' ' 91' ' ' LEU . 51.5 mm -73.18 -42.7 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 115.996 -0.547 . . . . 72.55 110.725 -175.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 tp -62.55 -35.37 79.23 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.15 0.58 . . . . 75.45 110.56 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.44 -47.11 87.21 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.36 0.664 . . . . 62.21 110.102 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HE2' HG11 ' A' ' 83' ' ' VAL . 27.5 mtpp -64.68 -45.59 86.01 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.25 0.968 . . . . 62.41 111.643 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -63.6 -46.01 96.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.336 -0.847 . . . . 71.31 110.295 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.58 ' HB3' HD12 ' A' ' 16' ' ' ILE . 71.2 mt -72.95 -30.79 64.13 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.909 -0.587 . . . . 71.31 111.527 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.17 -36.83 69.38 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.277 0.631 . . . . 73.15 110.279 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -69.74 -32.49 71.06 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.046 -0.524 . . . . 62.52 109.923 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 90.6 m -68.51 -35.11 77.02 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.951 -0.568 . . . . 40.21 110.613 173.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 64.1 mtm180 -68.53 -34.75 76.41 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.942 0.497 . . . . 73.34 110.213 173.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -58.51 -50.42 73.82 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 124.102 0.876 . . . . 62.01 109.593 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.55 -24.37 61.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.163 0.585 . . . . 74.34 111.503 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -73.3 -48.67 32.65 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.248 0.547 . . . . 74.34 111.057 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -96.54 -19.24 19.23 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.789 -1.096 . . . . 72.3 110.846 -169.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 107.498 -1.297 . . . . 70.01 107.498 170.197 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 CA--C 1.562 1.407 0 N-CA-C 110.834 -0.061 . . . . 71.03 110.834 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.7 158.0 25.75 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 123.133 2.555 . . . . 70.13 112.919 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -45.12 -49.95 9.41 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 124.206 3.271 . . . . 72.33 113.961 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.63 -40.22 68.73 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.498 0.719 . . . . 74.35 111.795 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.57 -35.64 75.55 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.773 0.67 . . . . 72.51 111.126 -175.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -62.67 -53.36 55.59 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.513 0.508 . . . . 60.11 109.804 170.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -62.03 -31.17 71.53 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.841 0.856 . . . . 72.13 111.93 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.03 -42.44 89.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.149 0.979 . . . . 74.23 109.733 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 67.1 m -75.63 -26.67 57.95 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.886 -1.052 . . . . 53.02 111.275 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -81.52 74.65 8.51 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.266 0.626 . . . . 64.24 109.708 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.594 HG11 ' HE2' ' A' ' 53' ' ' LYS . 31.2 m -125.79 169.09 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.625 1.17 . . . . 52.14 109.002 175.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -67.86 160.56 28.15 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.565 0.746 . . . . 74.54 111.087 -173.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -54.19 -51.58 76.29 Favored Pre-proline 0 CA--C 1.567 1.621 0 C-N-CA 124.281 1.032 . . . . 72.21 113.3 -173.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.444 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 38.2 Cg_endo -64.81 -35.33 45.72 Favored 'Trans proline' 0 C--N 1.39 2.751 0 C-N-CA 121.733 1.622 . . . . 73.45 112.259 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.9 m -61.88 -32.73 73.12 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.14 0.976 . . . . 65.35 111.883 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.63 -48.69 78.73 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.113 0.965 . . . . 74.31 110.552 173.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -69.16 -30.45 68.68 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.748 -0.66 . . . . 75.24 111.537 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 12.8 mm-40 -63.51 -39.6 94.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.965 0.506 . . . . 73.33 110.65 175.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.55 HD23 HG23 ' A' ' 50' ' ' ILE . 96.3 mt -69.02 -34.86 75.93 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.456 -0.793 . . . . 74.31 110.853 175.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 82.0 mt -66.83 -44.53 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.581 0.752 . . . . 74.14 110.265 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.54 -41.02 89.33 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.736 0.814 . . . . 74.24 110.712 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.93 -38.06 72.89 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.679 0.791 . . . . 63.24 111.601 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.483 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.2 -28.69 63.35 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.276 0.63 . . . . 52.42 111.653 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -78.86 -38.46 37.78 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.896 0.478 . . . . 74.54 109.756 173.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -64.37 -43.82 93.29 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.786 0.835 . . . . 65.1 111.815 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.2 -8.78 35.21 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.777 0.831 . . . . 64.15 111.69 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.8 t0 50.16 68.94 0.67 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.73 1.212 . . . . 72.11 110.968 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.429 HG12 ' HA ' ' A' ' 24' ' ' SER . 30.4 mt -117.99 92.71 2.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 107.092 -1.447 . . . . 73.13 107.092 172.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.94 -35.89 14.46 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 118.219 -0.896 . . . . 74.2 113.042 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -50.76 -33.5 40.75 Favored 'Trans proline' 0 C--N 1.397 3.114 0 C-N-CA 122.255 1.97 . . . . 64.13 113.768 166.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -80.28 -50.9 9.57 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 109.287 -0.635 . . . . 74.32 109.287 176.867 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.9 -51.52 69.33 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.554 1.142 . . . . 40.32 111.721 -170.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.72 -39.29 93.4 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 124.591 1.182 . . . . 74.14 111.611 -173.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.51 -45.19 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.51 0.724 . . . . 75.52 110.762 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.7 m -69.05 -31.06 69.56 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 122.832 0.453 . . . . 73.4 110.943 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 85.2 m -70.28 -33.43 71.56 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.631 0.772 . . . . 72.23 110.729 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -69.94 -39.73 75.91 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.069 0.548 . . . . 72.23 110.133 174.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.8 m -61.12 -52.9 62.94 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.829 0.706 . . . . 60.24 111.154 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -67.03 -32.63 58.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.626 -0.715 . . . . 75.44 111.189 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.62 86.9 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.206 0.602 . . . . 63.04 110.824 175.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -67.78 -25.69 65.73 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.561 0.744 . . . . 65.4 111.759 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 38.9 mtm -69.88 -48.69 57.77 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.899 0.381 . . . . 65.5 110.634 176.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 43.9 pt -85.14 -4.89 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-N 115.606 -0.724 . . . . 73.22 112.235 -177.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -63.41 96.2 0.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.963 1.305 . . . . 74.44 111.112 -176.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 CA-C-O 118.59 -1.117 . . . . 65.11 110.718 173.521 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 110.429 -0.211 . . . . 73.02 110.429 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -75.95 116.91 17.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.81 0.444 . . . . 75.22 110.378 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -82.57 126.1 39.98 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 N-CA-C 108.76 -0.83 . . . . 73.05 108.76 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.47 ' HD2' ' HG3' ' B' ' 40' ' ' PRO . 91.2 mttt -90.91 87.71 6.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.452 -0.794 . . . . 72.52 109.785 -172.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.15 94.61 7.88 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.176 -0.92 . . . . 72.14 109.577 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -79.21 133.92 36.68 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.097 -0.705 . . . . 74.34 109.097 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.0 p -85.67 175.99 8.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.786 0.835 . . . . 65.31 111.014 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.9 p -68.12 -23.13 64.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.699 0.799 . . . . 55.25 110.935 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -84.24 5.24 27.37 Favored 'General case' 0 CA--C 1.563 1.463 0 C-N-CA 124.395 1.078 . . . . 73.24 110.693 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 68.43 19.9 8.7 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.793 1.637 . . . . 73.21 112.885 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -88.32 121.85 31.17 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 109.474 -0.565 . . . . 72.33 109.474 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.7 t -90.41 107.15 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.21 1.004 . . . . 73.44 109.524 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.37 102.29 14.09 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 123.878 0.871 . . . . 65.45 109.133 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -83.02 77.54 9.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.753 0.821 . . . . 71.1 109.344 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' B' ' 55' ' ' LEU . 13.3 tt -92.91 151.17 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.629 0.772 . . . . 73.11 109.462 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.16 138.42 58.26 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.738 0.815 . . . . 63.34 109.754 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.424 ' HE3' HG21 ' B' ' 31' ' ' ILE . 81.0 tttt -59.09 -37.94 78.34 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.302 0.641 . . . . 72.15 111.259 -177.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.92 -35.95 64.71 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.997 0.919 . . . . 74.41 111.795 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 mt -78.87 -38.43 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 115.276 -0.874 . . . . 65.1 109.748 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.64 -9.47 58.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.026 0.93 . . . . 62.5 112.527 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.8 m -70.65 -31.75 68.79 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.075 0.55 . . . . 51.22 110.846 172.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 33.5 mtm -64.06 -31.22 72.33 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 121.248 0.547 . . . . 64.24 110.346 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.432 ' HA ' HG12 ' B' ' 100' ' ' ILE . 33.4 t -76.63 105.5 7.73 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.096 -1.076 . . . . 63.52 108.096 169.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 63.2 t -67.37 -37.8 79.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 123.112 0.565 . . . . 63.42 111.604 -171.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.6 m -64.07 -43.41 95.54 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 122.515 0.326 . . . . 72.21 111.134 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.409 ' O ' HG13 ' B' ' 31' ' ' ILE . 86.2 mt -66.82 -45.01 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.166 0.586 . . . . 75.12 110.159 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -56.66 -44.71 81.65 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.716 0.806 . . . . 72.12 110.4 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -67.57 -32.64 73.53 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.221 -0.9 . . . . 72.11 111.222 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.7 mtt -68.05 -37.43 81.32 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.037 0.535 . . . . 74.42 110.712 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.424 HG21 ' HE3' ' B' ' 18' ' ' LYS . 83.1 mt -64.24 -45.6 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 109.386 -0.598 . . . . 64.52 109.386 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -69.54 -31.2 69.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.692 0.797 . . . . 74.41 111.535 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.53 -44.33 74.82 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.145 0.978 . . . . 61.22 110.592 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 72.5 mt -78.39 -24.08 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 124.537 1.135 . . . . 63.35 110.011 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.19 -43.02 1.77 Allowed Glycine 0 C--N 1.348 1.207 0 N-CA-C 110.394 -1.082 . . . . 62.03 110.394 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -165.07 108.97 0.87 Allowed 'General case' 0 C--O 1.24 0.569 0 C-N-CA 125.2 1.4 . . . . 61.42 107.761 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.425 ' HB3' HD11 ' B' ' 41' ' ' ILE . 50.8 m -75.98 80.24 2.85 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 121.24 0.543 . . . . 60.44 110.226 174.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -76.74 -37.28 56.25 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.074 -0.966 . . . . 75.42 109.581 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -76.6 149.02 80.63 Favored Pre-proline 0 CA--C 1.553 1.091 0 CA-C-N 115.031 -0.986 . . . . 65.33 110.928 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' PRO . . . . . 0.47 ' HG3' ' HD2' ' B' ' 5' ' ' LYS . 52.0 Cg_exo -56.31 131.49 46.12 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.074 2.516 . . . . 74.35 112.445 175.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' B' ' 37' ' ' SER . 49.4 mm -92.25 107.9 26.78 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 123.297 0.639 . . . . 71.32 109.529 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.03 129.46 11.46 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.659 2.239 . . . . 54.45 110.601 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.9 mt -114.77 93.47 33.72 Favored Pre-proline 0 CA--C 1.549 0.928 0 N-CA-C 108.193 -1.04 . . . . 61.02 108.193 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.04 34.12 0.54 Allowed 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.722 2.948 . . . . 74.11 112.974 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -132.52 -65.2 0.73 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.295 1.038 . . . . 70.41 109.198 -174.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.5 126.36 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 115.549 -0.75 . . . . 71.25 110.24 -175.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 39.2 p -73.37 169.84 16.31 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.599 0.76 . . . . 74.11 110.888 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 59.8 p -61.68 -46.54 89.27 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.429 0.691 . . . . 71.22 111.489 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.418 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 33.9 p -56.85 -50.04 73.65 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 124.621 1.201 . . . . 73.43 111.248 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.536 HG23 HD23 ' B' ' 91' ' ' LEU . 51.0 mm -73.4 -42.89 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.016 -0.538 . . . . 74.4 110.709 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -62.65 -34.85 77.9 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.095 0.558 . . . . 74.14 110.624 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.62 -47.16 86.67 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.524 0.73 . . . . 74.44 109.895 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.579 ' HE2' HG11 ' B' ' 83' ' ' VAL . 27.8 mtpp -65.52 -45.18 84.5 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 124.3 1.0 . . . . 61.41 111.332 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.7 t -63.63 -46.09 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 O-C-N 123.996 0.81 . . . . 73.41 110.352 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.561 ' HB3' HD12 ' B' ' 16' ' ' ILE . 69.7 mt -72.7 -31.04 64.72 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.206 0.602 . . . . 64.44 111.281 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -71.53 -37.92 71.11 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.584 0.754 . . . . 70.43 110.432 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.83 -32.72 72.62 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.093 -0.503 . . . . 74.33 110.068 174.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 92.3 m -68.26 -35.36 77.77 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.817 -0.629 . . . . 64.23 110.71 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 63.2 mtm180 -68.38 -34.98 77.02 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.096 0.558 . . . . 73.45 110.202 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -58.77 -50.22 74.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.791 0.837 . . . . 73.53 109.383 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -71.68 -26.49 62.54 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 123.895 0.747 . . . . 74.53 111.299 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -71.6 -49.32 41.45 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.21 0.604 . . . . 73.42 110.965 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -95.16 -19.6 19.94 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.048 -0.978 . . . . 51.34 110.878 -169.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 . . . . . 0 CA--C 1.551 0.981 0 N-CA-C 107.43 -1.322 . . . . 71.13 107.43 171.482 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 CA--C 1.564 1.485 0 CA-C-O 119.926 -0.083 . . . . 71.21 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -58.49 158.53 22.9 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 123.268 2.646 . . . . 73.24 113.056 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -45.8 -50.07 10.09 Favored 'Trans proline' 0 C--N 1.391 2.801 0 C-N-CA 123.836 3.024 . . . . 75.33 113.782 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -53.99 -41.04 67.48 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 123.918 0.761 . . . . 73.13 112.084 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.76 -35.92 77.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.298 0.639 . . . . 74.32 111.171 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.42 -53.52 53.74 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.597 0.561 . . . . 74.1 109.998 171.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -62.1 -31.01 71.41 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 123.939 0.774 . . . . 74.02 112.18 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -66.31 -42.12 88.73 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.01 0.924 . . . . 74.5 109.918 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 66.9 m -75.45 -27.08 58.77 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.905 -1.043 . . . . 65.01 111.207 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -81.38 75.67 8.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.185 0.594 . . . . 61.41 109.784 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.579 HG11 ' HE2' ' B' ' 53' ' ' LYS . 31.3 m -126.55 170.36 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.494 1.118 . . . . 62.11 109.144 175.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -68.72 159.99 31.19 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.172 0.589 . . . . 64.43 110.893 -174.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -53.74 -51.6 75.07 Favored Pre-proline 0 CA--C 1.564 1.496 0 C-N-CA 124.434 1.094 . . . . 65.31 113.377 -173.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.43 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 39.1 Cg_endo -64.52 -35.62 47.56 Favored 'Trans proline' 0 C--N 1.39 2.719 0 C-N-CA 121.523 1.482 . . . . 63.41 112.251 175.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 9.8 m -62.5 -32.36 73.26 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 124.079 0.951 . . . . 62.25 111.863 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 64.3 mt -57.4 -48.72 78.35 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.128 0.971 . . . . 51.13 110.532 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -69.05 -30.76 69.17 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.74 -0.664 . . . . 71.2 111.677 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 21.2 mm-40 -63.6 -39.51 94.55 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.132 0.573 . . . . 74.53 110.78 175.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.536 HD23 HG23 ' B' ' 50' ' ' ILE . 96.3 mt -68.91 -34.96 76.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.579 0.752 . . . . 71.44 110.605 175.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 82.0 mt -66.8 -44.51 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.662 0.785 . . . . 64.41 110.224 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.27 -41.72 89.48 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.825 0.85 . . . . 64.32 110.659 -178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.49 -38.0 74.3 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.732 0.813 . . . . 65.24 111.569 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.487 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -72.21 -28.58 63.27 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.421 0.688 . . . . 71.22 111.797 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -79.0 -38.3 37.04 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.036 0.534 . . . . 74.32 110.028 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.68 -42.31 91.44 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.409 1.083 . . . . 71.12 111.735 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 97.2 mt -96.35 -9.37 30.2 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.514 0.726 . . . . 74.33 111.605 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 38.9 t0 51.31 68.18 0.83 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.9 1.28 . . . . 73.23 111.242 -174.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.432 HG12 ' HA ' ' B' ' 24' ' ' SER . 30.9 mt -117.96 92.23 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 106.958 -1.497 . . . . 72.24 106.958 173.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.34 -36.46 19.11 Favored Pre-proline 0 CA--C 1.561 1.386 0 C-N-CA 124.103 0.961 . . . . 73.14 113.013 177.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -50.45 -33.51 38.31 Favored 'Trans proline' 0 C--N 1.398 3.158 0 C-N-CA 122.324 2.016 . . . . 75.41 113.993 166.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' B' ' 95' ' ' ALA . 0.8 OUTLIER -80.39 -50.91 9.48 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.231 -0.655 . . . . 72.44 109.231 177.005 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.39 -51.94 67.76 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.591 1.156 . . . . 65.32 111.828 -171.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.07 -38.69 91.6 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 124.415 1.072 . . . . 61.23 111.451 -173.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.79 -45.33 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.504 0.722 . . . . 65.53 110.546 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.7 m -69.01 -31.03 69.56 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.968 0.507 . . . . 63.34 110.953 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.25 -33.23 71.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.639 0.776 . . . . 74.45 110.642 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -70.7 -38.79 73.7 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.905 0.482 . . . . 61.31 110.244 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 28.8 m -61.77 -52.86 62.5 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.869 0.73 . . . . 60.24 111.131 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.79 -32.54 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.675 -0.693 . . . . 74.35 111.248 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.5 85.83 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 123.225 0.61 . . . . 72.11 110.662 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -66.66 -25.86 66.77 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.56 0.744 . . . . 52.41 111.78 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 41.7 mtm -70.02 -48.75 56.76 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 120.958 0.408 . . . . 72.12 110.481 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.0 pt -85.52 -3.81 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 115.683 -0.689 . . . . 73.15 111.827 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 . . . . . 0 N--CA 1.474 0.772 0 C-N-CA 124.74 1.216 . . . . 61.24 110.979 -177.803 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.475 0.179 . . . . 74.5 111.021 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.6 m -103.86 143.81 15.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 N-CA-C 108.474 -0.936 . . . . 75.2 108.474 164.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 90.5 mttt -94.75 121.67 36.57 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 109.543 -0.54 . . . . 64.11 109.543 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 mt -116.15 91.09 3.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.716 0.806 . . . . 71.41 109.237 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.58 ' HG3' HG22 ' A' ' 13' ' ' VAL . 2.3 mp0 -74.85 119.17 18.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.622 -0.51 . . . . 73.12 109.622 176.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.2 p -66.32 178.7 1.13 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.832 0.453 . . . . 75.11 110.986 170.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -62.79 -29.34 70.64 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.925 0.49 . . . . 72.33 110.491 173.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -83.8 8.67 14.03 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.163 0.985 . . . . 61.44 111.179 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 70.74 7.13 6.11 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.245 1.418 . . . . 71.44 113.295 172.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -71.46 121.52 18.78 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.33 -0.619 . . . . 53.01 109.33 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.58 HG22 ' HG3' ' A' ' 7' ' ' GLU . 34.7 t -86.86 96.39 5.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 C-N-CA 124.394 1.077 . . . . 75.41 109.489 -173.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -82.39 87.5 6.61 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.503 0.721 . . . . 74.13 109.773 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.504 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 34.6 mt-10 -78.08 88.94 4.19 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.941 -1.027 . . . . 74.11 109.061 176.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 tt -119.9 156.03 22.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.07 0.948 . . . . 75.4 108.729 -173.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.96 139.2 56.97 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.969 0.507 . . . . 64.42 110.725 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -58.63 -31.91 68.54 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 124.08 0.862 . . . . 74.3 110.738 -178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.09 -40.73 90.58 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.738 0.815 . . . . 72.33 111.753 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.551 HD13 ' HA ' ' A' ' 59' ' ' ARG . 24.6 mt -76.19 -34.71 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 115.516 -0.765 . . . . 63.34 109.975 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.496 ' HB1' HG21 ' A' ' 27' ' ' ILE . . . -67.86 -28.96 67.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.716 -0.675 . . . . 43.24 111.438 174.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.1 m -75.84 -23.15 55.71 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.371 0.668 . . . . 63.13 111.449 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.8 mtp -62.45 -25.38 67.94 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 122.909 0.484 . . . . 64.54 110.416 171.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.415 ' HA ' HG12 ' A' ' 100' ' ' ILE . 48.8 m -76.73 115.26 16.34 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.275 -1.009 . . . . 75.2 108.275 161.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.79 -31.84 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.313 0.645 . . . . 64.13 110.414 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.8 m -68.0 -47.13 69.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.96 0.504 . . . . 74.44 111.172 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.496 HG21 ' HB1' ' A' ' 21' ' ' ALA . 1.7 mp -72.49 -34.96 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.245 -0.65 . . . . 60.32 109.245 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -56.11 -51.5 67.67 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.462 0.705 . . . . 71.24 110.192 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -61.68 -39.46 91.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 115.168 -0.924 . . . . 74.34 111.043 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.52 ' O ' HG12 ' A' ' 34' ' ' ILE . 60.2 mtt -60.25 -55.6 31.8 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.06 0.544 . . . . 54.12 110.418 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.9 -48.37 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.528 0.731 . . . . 73.31 110.526 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.36 -36.14 73.98 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.739 0.416 . . . . 74.13 111.984 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -67.67 -37.85 82.92 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 123.519 0.728 . . . . 71.5 110.987 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 30' ' ' MET . 48.0 mm -72.98 -39.42 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 115.791 -0.64 . . . . 71.13 109.39 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.28 23.24 8.15 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 115.717 -0.674 . . . . 53.52 112.691 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 72.28 126.32 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.063 1.745 . . . . 74.15 110.674 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.9 m -144.09 159.29 42.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.688 0.756 . . . . 71.45 111.374 -175.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.91 -12.76 60.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.12 -1.4 . . . . 73.13 110.831 175.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m -63.45 131.79 94.94 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.048 0.939 . . . . 74.24 110.816 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 44.6 Cg_endo -68.56 160.23 50.19 Favored 'Trans proline' 0 C--N 1.373 1.86 0 C-N-CA 122.595 2.197 . . . . 74.11 111.54 171.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.0 mm -107.94 95.87 16.06 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 108.931 -0.766 . . . . 73.51 108.931 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -78.89 131.08 9.88 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.016 1.811 . . . . 72.02 111.262 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 mt -108.93 87.79 4.91 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.872 1.269 . . . . 54.35 108.74 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.83 -5.95 14.91 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 123.131 2.554 . . . . 74.32 113.571 -171.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.7 -41.66 20.99 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.37 0.668 . . . . 74.2 110.567 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -101.81 136.65 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 123.234 0.614 . . . . 62.5 110.445 -173.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.8 p -80.1 171.91 14.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.447 0.699 . . . . 75.33 110.732 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.0 p -64.69 -47.59 77.81 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.624 0.77 . . . . 64.2 111.966 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.2 p -61.02 -36.57 79.87 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.292 1.037 . . . . 71.4 112.324 -176.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.532 HG23 HD23 ' A' ' 91' ' ' LEU . 42.4 mm -81.05 -47.18 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 115.845 -0.616 . . . . 64.51 109.899 -178.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.1 -30.45 71.61 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.832 0.853 . . . . 74.32 111.042 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.18 -51.26 68.53 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 123.478 0.711 . . . . 63.54 110.794 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.505 ' HD2' HD21 ' A' ' 91' ' ' LEU . 36.3 mttm -63.83 -41.88 97.76 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 123.986 0.804 . . . . 54.11 110.549 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.654 HG13 ' HG ' ' A' ' 103' ' ' LEU . 75.5 t -60.83 -51.07 77.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 114.728 -1.124 . . . . 44.42 110.348 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.3 mt -72.42 -28.71 63.14 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.779 -0.646 . . . . 62.14 111.772 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.88 -51.37 48.9 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.963 0.905 . . . . 75.33 110.668 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -59.57 -48.53 81.29 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.74 -0.664 . . . . 73.13 110.413 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.679 ' SG ' HG21 ' A' ' 100' ' ' ILE . 78.7 m -65.18 -31.88 73.28 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.056 0.848 . . . . 73.55 111.731 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.551 ' HA ' HD13 ' A' ' 20' ' ' ILE . 55.8 ttp180 -64.22 -51.35 64.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.464 0.705 . . . . 54.22 110.204 175.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -63.82 -34.62 78.33 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.888 0.875 . . . . 75.23 111.405 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -76.34 -19.02 58.61 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.305 0.642 . . . . 71.42 110.007 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -82.81 -30.67 28.64 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.926 0.491 . . . . 70.11 110.136 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 24.8 mm-40 -70.32 -35.43 73.64 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.588 -0.523 . . . . 64.21 109.588 176.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 CA--C 1.545 0.764 0 N-CA-C 108.329 -0.989 . . . . 74.12 108.329 175.013 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.4 mm . . . . . 0 CA--C 1.551 0.987 0 N-CA-C 110.01 -0.367 . . . . 64.31 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.79 127.29 18.37 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 122.275 1.983 . . . . 75.34 111.34 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -50.93 -26.54 18.52 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.434 2.756 . . . . 72.33 113.114 172.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -53.19 -49.27 67.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.211 1.404 . . . . 75.01 111.906 175.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.26 -39.01 93.4 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.207 1.003 . . . . 74.32 111.163 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -72.83 -33.6 66.27 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.074 -0.967 . . . . 64.11 110.418 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 60.5 m-20 -79.5 -22.58 43.82 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.464 -0.789 . . . . 73.53 111.615 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.57 -33.42 75.88 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.311 0.645 . . . . 71.54 109.827 170.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.1 m -70.88 -11.48 60.99 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.138 -0.937 . . . . 72.32 112.505 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 32.1 mmtp -82.17 74.01 9.18 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.518 -0.549 . . . . 74.11 109.518 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.415 HG11 HD11 ' A' ' 91' ' ' LEU . 24.5 m -131.71 171.51 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.754 1.222 . . . . 72.11 108.561 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.67 156.78 38.43 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.04 -0.356 . . . . 72.44 110.04 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.462 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 0.6 OUTLIER -55.76 -51.79 77.49 Favored Pre-proline 0 CA--C 1.568 1.659 0 C-N-CA 124.099 0.96 . . . . 75.43 111.058 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 22.3 Cg_exo -68.51 -39.85 8.74 Favored 'Trans proline' 0 C--N 1.387 2.594 0 C-N-CA 121.649 1.566 . . . . 61.4 112.405 176.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.6 m -57.36 -32.05 66.38 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.336 1.054 . . . . 74.02 111.763 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.91 -46.54 89.03 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.979 1.312 . . . . 55.33 109.526 177.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.43 ' HD1' HD12 ' A' ' 92' ' ' ILE . 28.7 m-85 -73.18 -30.63 63.68 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.594 -0.73 . . . . 72.01 111.643 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -60.77 -35.77 77.28 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.456 0.473 . . . . 72.21 110.708 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.532 HD23 HG23 ' A' ' 50' ' ' ILE . 96.0 mt -68.69 -34.36 75.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.54 0.736 . . . . 63.41 111.323 176.003 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.43 HD12 ' HD1' ' A' ' 89' ' ' PHE . 43.7 mt -69.9 -41.49 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 123.171 0.588 . . . . 65.13 110.137 175.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.26 -38.98 92.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.828 0.851 . . . . 71.4 110.498 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.84 -34.52 64.56 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.731 0.812 . . . . 63.32 110.935 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -70.21 -29.79 66.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.404 0.682 . . . . 75.53 111.46 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -79.89 -42.06 24.93 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.802 0.841 . . . . 72.45 110.004 173.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -63.22 -36.14 82.65 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.848 0.859 . . . . 74.42 111.58 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.562 HD12 HG11 ' A' ' 54' ' ' VAL . 60.3 mt -95.61 -19.54 19.68 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.087 0.555 . . . . 74.43 110.572 177.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.6 t0 50.38 68.37 0.77 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.402 1.481 . . . . 70.54 111.932 -174.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.679 HG21 ' SG ' ' A' ' 58' ' ' CYS . 25.8 mt -104.46 114.89 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 107.494 -1.299 . . . . 71.31 107.494 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -63.41 -48.75 81.3 Favored Pre-proline 0 CA--C 1.563 1.457 0 CA-C-O 118.603 -0.713 . . . . 74.31 112.743 -171.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.03 -44.02 26.86 Favored 'Trans proline' 0 C--N 1.392 2.833 0 C-N-CA 121.874 1.716 . . . . 62.12 113.21 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.654 ' HG ' HG13 ' A' ' 54' ' ' VAL . 1.6 tm? -63.96 -51.04 66.23 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.347 0.659 . . . . 64.43 109.668 -175.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.85 -44.64 91.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 114.994 -1.003 . . . . 72.32 110.769 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 23.9 t70 -65.01 -51.23 62.79 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.365 -0.834 . . . . 53.41 110.903 -175.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.82 -46.18 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.627 0.771 . . . . 64.44 111.397 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 13.2 m -72.16 -32.47 66.9 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.204 0.602 . . . . 71.51 111.945 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 98.3 m -70.93 -39.35 72.7 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.804 0.442 . . . . 65.21 110.185 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 105' ' ' ASP . 1.5 mptm? -67.25 -30.38 70.26 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.586 0.755 . . . . 73.11 110.872 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.2 m -57.35 -45.76 84.03 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.013 0.525 . . . . 74.04 110.543 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.0 t -71.42 -40.88 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.301 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.27 -30.33 71.05 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.224 -0.898 . . . . 73.53 111.353 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -70.89 -34.52 71.67 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.67 0.788 . . . . 71.41 110.907 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 42.2 mtm -69.86 -33.51 72.35 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.737 0.415 . . . . 63.41 111.095 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.4 pt -99.87 -2.71 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.962 0.505 . . . . 72.51 112.043 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -57.73 -54.96 41.03 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.056 0.942 . . . . 75.32 112.367 -170.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.372 0 N-CA-C 110.152 -1.179 . . . . 51.24 110.152 -170.742 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.513 0.197 . . . . 63.32 110.5 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.0 mt -78.99 133.13 36.85 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.347 0.659 . . . . 71.13 110.88 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 29.0 m -104.89 143.45 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.318 -0.993 . . . . 72.32 108.318 164.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.551 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 91.1 mttt -94.31 121.9 36.31 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.043 0.537 . . . . 43.12 109.875 -176.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.24 91.19 3.52 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.544 0.738 . . . . 73.0 109.459 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.565 ' HG3' HG22 ' B' ' 13' ' ' VAL . 2.8 mp0 -74.45 119.48 18.7 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.522 -0.548 . . . . 75.41 109.522 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -66.83 178.95 1.19 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.754 0.421 . . . . 71.42 110.96 171.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p -62.91 -29.19 70.59 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.046 0.539 . . . . 52.31 110.505 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.22 7.79 17.94 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 124.345 1.058 . . . . 75.52 111.386 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 71.92 6.84 5.72 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 125.063 1.345 . . . . 73.25 113.502 172.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -71.12 121.51 18.42 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.506 -0.554 . . . . 70.54 109.506 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.565 HG22 ' HG3' ' B' ' 7' ' ' GLU . 38.7 t -87.29 96.65 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 124.096 0.959 . . . . 70.54 109.379 -173.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.37 86.9 6.64 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.454 0.702 . . . . 75.51 109.797 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.551 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.3 mt-10 -77.32 88.86 3.73 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.912 -1.04 . . . . 63.52 109.018 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.1 tt -119.86 155.58 22.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.936 0.894 . . . . 74.22 108.903 -173.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.98 138.75 57.36 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.192 0.597 . . . . 72.02 110.55 -177.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -58.31 -31.77 67.84 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 124.065 0.853 . . . . 72.1 110.821 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.1 -41.54 92.76 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.94 0.896 . . . . 64.12 111.556 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' B' ' 59' ' ' ARG . 24.0 mt -75.35 -34.74 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.559 0.744 . . . . 71.24 109.971 -179.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.498 ' HB1' HG21 ' B' ' 27' ' ' ILE . . . -68.02 -28.73 67.66 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.715 -0.675 . . . . 74.23 111.456 174.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 74.0 m -76.39 -21.71 55.7 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.498 0.719 . . . . 73.32 111.566 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.86 -24.89 67.92 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.928 0.491 . . . . 73.44 110.551 170.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.423 ' HA ' HG12 ' B' ' 100' ' ' ILE . 50.2 m -77.08 115.01 16.49 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 108.267 -1.012 . . . . 75.24 108.267 161.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.36 -31.87 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.134 0.574 . . . . 73.1 110.408 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -67.94 -47.03 69.81 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.155 0.582 . . . . 71.53 111.275 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.498 HG21 ' HB1' ' B' ' 21' ' ' ALA . 1.7 mp -72.86 -35.03 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 N-CA-C 109.203 -0.665 . . . . 74.22 109.203 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -56.03 -51.29 68.33 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.562 0.745 . . . . 70.31 110.058 172.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -61.65 -40.05 93.53 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.09 -0.959 . . . . 72.24 110.887 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.501 ' O ' HG12 ' B' ' 34' ' ' ILE . 60.0 mtt -59.86 -55.57 32.59 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 123.555 0.535 . . . . 70.05 110.476 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.09 -48.52 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 123.917 0.761 . . . . 34.12 110.544 -175.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.29 -35.91 74.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.293 0.37 . . . . 74.31 111.996 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.59 -38.21 83.69 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.252 0.621 . . . . 74.35 110.897 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.501 HG12 ' O ' ' B' ' 30' ' ' MET . 49.0 mm -73.54 -37.75 50.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.794 -0.639 . . . . 75.22 109.358 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.93 23.39 8.67 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 115.873 -0.603 . . . . 74.12 112.743 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 72.32 125.4 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.113 1.765 . . . . 74.15 110.272 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 74.4 m -142.56 160.48 40.21 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.598 0.713 . . . . 60.03 111.218 -175.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.91 -12.56 59.97 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.036 -1.438 . . . . 75.3 110.92 173.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.4 m -64.97 130.57 94.92 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.051 0.94 . . . . 73.5 110.814 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' PRO . . . . . 0.53 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 41.7 Cg_endo -68.18 160.51 48.52 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.318 2.012 . . . . 71.24 111.538 172.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -107.58 95.59 14.43 Favored Pre-proline 0 CA--C 1.547 0.865 0 N-CA-C 108.979 -0.748 . . . . 44.32 108.979 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.66 129.93 9.48 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.095 1.864 . . . . 71.12 111.276 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -108.1 88.41 4.68 Favored Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 124.587 1.155 . . . . 75.32 108.919 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -79.71 -5.06 13.85 Favored 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.987 2.458 . . . . 74.13 113.655 -171.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -81.98 -41.92 20.08 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.471 0.708 . . . . 72.04 110.369 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -101.56 136.88 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.455 0.702 . . . . 64.24 110.412 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 53.3 p -80.21 171.8 14.6 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.297 0.639 . . . . 74.13 110.896 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.4 p -64.69 -47.5 78.13 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.733 0.813 . . . . 60.31 112.135 -177.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 38.0 p -61.07 -36.42 79.58 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.257 1.023 . . . . 73.31 112.053 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.52 HG23 HD23 ' B' ' 91' ' ' LEU . 42.2 mm -80.91 -47.46 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 123.21 0.604 . . . . 73.12 110.059 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.2 tp -63.28 -30.29 71.46 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.878 0.871 . . . . 64.4 111.011 -178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.03 -51.29 68.59 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.545 0.738 . . . . 71.34 110.631 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.525 ' HD2' HD21 ' B' ' 91' ' ' LEU . 37.2 mttm -63.9 -42.02 97.55 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 123.713 0.633 . . . . 75.11 110.642 -177.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.648 HG13 ' HG ' ' B' ' 103' ' ' LEU . 77.4 t -60.7 -50.74 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.68 -1.145 . . . . 73.11 110.436 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.9 -28.68 62.62 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.26 0.624 . . . . 75.12 111.864 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -68.3 -50.21 55.18 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.016 0.926 . . . . 75.33 110.897 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -60.57 -48.49 81.52 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.632 -0.713 . . . . 74.21 110.33 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.668 ' SG ' HG21 ' B' ' 100' ' ' ILE . 79.9 m -65.28 -31.55 72.74 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.921 0.763 . . . . 74.24 111.771 -178.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.553 ' HA ' HD13 ' B' ' 20' ' ' ILE . 54.7 ttp180 -64.77 -51.11 64.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.374 0.669 . . . . 74.21 110.024 175.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -63.27 -35.47 80.47 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.155 0.909 . . . . 72.21 111.496 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -75.55 -19.93 58.99 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.269 0.628 . . . . 73.53 109.882 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -82.59 -30.43 29.54 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.941 0.496 . . . . 74.31 110.07 171.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 26.0 mm-40 -70.21 -34.09 72.48 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 109.811 -0.44 . . . . 61.42 109.811 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 108.314 -0.995 . . . . 62.12 108.314 175.51 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mm . . . . . 0 CA--C 1.551 1.003 0 N-CA-C 110.201 -0.296 . . . . 72.52 110.201 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.76 128.05 20.1 Favored 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 122.221 1.947 . . . . 72.13 111.121 -176.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.6 -26.28 22.14 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 123.122 2.548 . . . . 72.11 113.293 172.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -54.13 -48.65 70.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.274 1.43 . . . . 64.33 111.834 175.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.21 -38.9 92.98 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.206 1.002 . . . . 72.34 111.098 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -72.19 -34.26 68.29 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.068 -0.969 . . . . 74.41 110.547 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.555 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 53.8 m-20 -79.55 -21.89 44.54 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.356 -0.838 . . . . 43.33 111.787 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -65.5 -33.52 76.13 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.159 0.584 . . . . 73.54 109.861 170.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.06 -10.67 60.15 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.145 -0.934 . . . . 61.23 112.632 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 32.6 mmtp -82.18 73.89 9.19 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.199 0.599 . . . . 55.52 109.708 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.423 HG11 HD11 ' B' ' 91' ' ' LEU . 29.4 m -132.75 170.29 20.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 C-N-CA 124.979 1.312 . . . . 42.25 108.313 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -69.8 157.89 36.51 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 110.019 -0.363 . . . . 71.55 110.019 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.439 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 0.6 OUTLIER -56.61 -51.85 78.03 Favored Pre-proline 0 CA--C 1.571 1.77 0 C-N-CA 123.75 0.82 . . . . 73.45 111.091 -179.347 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 21.7 Cg_exo -68.63 -39.82 8.46 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.815 1.677 . . . . 72.04 112.484 175.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 85.2 m -57.1 -32.16 66.02 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.195 0.998 . . . . 60.32 111.778 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.94 -46.43 89.43 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.78 1.232 . . . . 75.03 109.569 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.413 ' HD1' HD12 ' B' ' 92' ' ' ILE . 29.0 m-85 -73.32 -30.52 63.41 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.679 -0.691 . . . . 64.15 111.694 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.72 -35.57 76.67 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.941 0.496 . . . . 74.23 110.644 173.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.525 HD21 ' HD2' ' B' ' 53' ' ' LYS . 95.7 mt -69.07 -34.44 75.15 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.634 0.774 . . . . 74.41 111.285 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.413 HD12 ' HD1' ' B' ' 89' ' ' PHE . 44.6 mt -69.91 -41.54 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 123.13 0.572 . . . . 75.24 110.057 176.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.17 -38.87 92.62 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.795 0.838 . . . . 64.23 110.532 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.08 -34.46 64.01 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.692 0.797 . . . . 74.11 110.888 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.598 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -70.22 -29.68 66.57 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.333 0.653 . . . . 71.11 111.49 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -80.06 -41.48 25.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.833 0.853 . . . . 74.44 110.058 173.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -63.72 -35.53 80.87 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.9 0.88 . . . . 73.31 111.678 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.56 HD12 HG11 ' B' ' 54' ' ' VAL . 60.3 mt -96.4 -19.19 19.38 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.037 0.535 . . . . 63.11 110.594 177.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 28.7 t0 50.41 67.28 0.95 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.444 1.498 . . . . 73.11 111.962 -174.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.668 HG21 ' SG ' ' B' ' 58' ' ' CYS . 25.5 mt -103.6 115.07 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 107.569 -1.271 . . . . 64.31 107.569 174.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -63.41 -49.14 80.13 Favored Pre-proline 0 CA--C 1.562 1.429 0 CA-C-O 118.56 -0.733 . . . . 72.44 112.768 -171.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -61.1 -43.9 27.15 Favored 'Trans proline' 0 C--N 1.392 2.851 0 C-N-CA 121.859 1.706 . . . . 62.0 113.142 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.648 ' HG ' HG13 ' B' ' 54' ' ' VAL . 1.6 tm? -63.76 -51.08 66.46 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.361 0.664 . . . . 73.32 109.713 -175.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.88 -44.44 91.12 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.044 -0.98 . . . . 53.33 110.728 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.41 ' O ' ' HD3' ' B' ' 109' ' ' LYS . 23.7 t70 -64.67 -51.78 60.72 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.015 0.822 . . . . 71.13 110.841 -175.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.82 -46.0 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.715 0.806 . . . . 63.33 111.373 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.5 m -72.15 -32.61 67.05 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.15 0.58 . . . . 74.13 111.908 -175.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 96.1 m -71.02 -39.25 72.48 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.763 0.425 . . . . 63.34 110.094 175.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' LYS . . . . . 0.41 ' HD3' ' O ' ' B' ' 105' ' ' ASP . 1.4 mptm? -67.47 -30.29 69.96 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.603 0.761 . . . . 73.35 110.879 175.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 85.0 m -57.27 -46.04 83.47 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 123.585 0.553 . . . . 44.22 110.571 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.0 t -71.17 -40.74 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 121.065 0.46 . . . . 71.14 110.26 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.5 71.35 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.156 -0.929 . . . . 53.3 111.466 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -69.88 -35.84 74.98 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.364 0.666 . . . . 71.25 110.689 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 44.3 mtm -69.22 -32.79 72.27 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.025 0.53 . . . . 74.32 111.311 -177.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.9 pt -100.68 -2.59 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.097 0.559 . . . . 62.0 111.79 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 . . . . . 0 N--CA 1.483 1.222 0 C-N-CA 123.875 0.87 . . . . 71.0 112.52 -170.413 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.4 mt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.649 -0.13 . . . . 73.33 110.649 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.9 m -85.78 130.86 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 109.42 -0.585 . . . . 72.51 109.42 168.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.534 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 89.2 mttt -86.17 83.14 7.81 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.088 -0.96 . . . . 73.11 109.88 -174.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.02 90.13 5.97 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.3 0.64 . . . . 73.22 110.195 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -79.07 134.27 36.76 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.651 -0.704 . . . . 72.14 110.01 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.9 p -87.0 175.17 8.26 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 124.057 0.943 . . . . 73.23 110.707 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p -70.0 -13.74 62.37 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.288 0.635 . . . . 74.44 111.413 173.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.43 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 27.9 t70 -91.77 5.32 50.3 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.307 1.043 . . . . 74.2 110.316 175.159 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 77.97 -2.96 2.42 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.185 1.394 . . . . 71.32 112.794 173.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -77.07 125.44 29.33 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 121.171 -0.955 . . . . 75.24 110.367 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -95.28 110.13 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 124.56 1.144 . . . . 73.14 110.214 -174.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.58 95.23 7.47 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.49 0.716 . . . . 64.31 109.436 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.534 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 31.8 mt-10 -79.81 78.73 6.38 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.056 -0.975 . . . . 62.45 109.64 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.419 HG13 ' NH2' ' A' ' 59' ' ' ARG . 20.5 tt -103.33 157.73 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 108.885 -0.783 . . . . 53.1 108.885 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 133.6 55.33 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.355 0.662 . . . . 72.44 110.159 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -58.88 -36.86 75.34 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.109 0.881 . . . . 73.11 111.42 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.26 -30.55 68.37 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.98 0.912 . . . . 75.44 112.22 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.9 mt -80.9 -36.68 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.21 0.604 . . . . 74.22 109.898 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.32 -16.18 62.97 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.825 -0.625 . . . . 71.41 111.991 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 71.4 m -75.05 -26.72 59.62 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.508 0.723 . . . . 62.34 111.01 173.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.6 mtp -63.33 -32.67 74.16 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.33 0.652 . . . . 74.43 109.635 173.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.603 ' HA ' HG12 ' A' ' 100' ' ' ILE . 44.5 t -73.95 105.16 5.08 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.862 -1.063 . . . . 52.13 108.251 164.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.4 t -67.17 -36.48 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 119.273 -0.394 . . . . 65.25 111.555 -172.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.7 m -64.47 -48.87 73.62 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.603 0.361 . . . . 71.41 111.587 177.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.89 -42.25 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.818 0.447 . . . . 73.32 110.021 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 21.0 ttpp -55.43 -50.23 70.34 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.079 0.952 . . . . 72.13 110.196 173.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.02 -32.46 74.02 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.349 -0.842 . . . . 71.45 111.084 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 64.7 mtt -65.04 -49.41 70.26 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.109 0.564 . . . . 72.34 110.403 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -61.65 -39.61 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.632 0.773 . . . . 62.55 110.49 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.85 -34.24 62.25 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.459 0.704 . . . . 72.42 111.704 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.27 -38.91 71.83 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.59 0.756 . . . . 73.05 110.755 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -74.2 -29.82 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.176 -0.92 . . . . 71.02 109.473 172.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.1 -56.2 0.75 Allowed Glycine 0 C--N 1.344 1.027 0 N-CA-C 111.086 -0.806 . . . . 74.24 111.086 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -138.51 123.91 19.42 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.588 1.155 . . . . 74.44 108.435 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 m -126.64 85.3 2.36 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.053 0.454 . . . . 70.02 110.869 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.78 -34.7 26.96 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.683 -0.689 . . . . 64.51 109.983 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -63.16 144.5 97.36 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.676 0.79 . . . . 65.34 110.706 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HG3' ' HD2' ' A' ' 5' ' ' LYS . 73.9 Cg_exo -52.88 118.74 5.08 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.969 2.446 . . . . 75.44 112.803 178.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -73.04 111.31 11.0 Favored Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 108.715 -0.846 . . . . 73.14 108.715 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -85.9 123.3 2.38 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.474 2.116 . . . . 63.3 111.103 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.7 mt -107.22 94.27 10.9 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 107.971 -1.122 . . . . 71.32 107.971 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.17 -1.75 10.57 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 123.43 2.754 . . . . 71.32 114.463 -172.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -140.19 72.44 1.4 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.208 0.527 . . . . 74.35 110.847 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.3 p -174.2 123.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 114.726 -1.125 . . . . 74.1 108.37 165.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.2 p -69.16 154.14 42.55 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.91 0.484 . . . . 64.24 110.167 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.43 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 57.5 p -60.69 -47.85 84.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.8 0.84 . . . . 64.04 112.898 -171.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 40.0 p -58.82 -46.86 86.67 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 124.05 0.844 . . . . 73.42 111.195 -177.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.556 HG23 HD23 ' A' ' 91' ' ' LEU . 49.2 mm -69.31 -42.44 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.291 0.636 . . . . 74.12 110.595 -178.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.02 -41.94 88.98 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.731 0.644 . . . . 65.4 110.276 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.3 -47.17 87.2 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.828 0.851 . . . . 72.25 110.92 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 49' ' ' THR . 31.0 mtpp -59.09 -43.98 91.88 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 124.03 0.831 . . . . 70.55 111.208 -178.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.8 t -69.44 -43.64 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 115.525 -0.761 . . . . 62.33 110.474 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.25 -32.99 73.56 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.237 0.615 . . . . 72.43 111.632 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.32 -44.5 68.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.501 0.721 . . . . 75.35 109.624 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD2' HD23 ' A' ' 103' ' ' LEU . 89.0 t80 -60.58 -45.96 92.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.218 -0.447 . . . . 75.21 110.551 175.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 85.5 m -59.81 -36.33 76.54 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.712 0.632 . . . . 74.54 110.656 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' NH2' HG13 ' A' ' 16' ' ' ILE . 35.2 ttm180 -65.69 -42.05 91.66 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.836 0.454 . . . . 75.23 110.92 175.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -62.79 -45.24 93.58 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.227 0.611 . . . . 74.24 111.025 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -78.37 -14.41 59.41 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.666 -0.697 . . . . 73.14 110.664 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -79.37 -37.48 37.26 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 109.652 -0.499 . . . . 74.54 109.652 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 85.9 mm-40 -72.84 -24.37 60.88 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.503 0.721 . . . . 72.31 110.869 176.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 . . . . . 0 CA--C 1.548 0.883 0 C-N-CA 124.008 0.923 . . . . 74.32 108.661 174.746 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.7 mm . . . . . 0 CA--C 1.558 1.278 0 N-CA-C 109.633 -0.506 . . . . 62.31 109.633 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -66.33 152.45 80.99 Favored 'Trans proline' 0 C--N 1.377 2.077 0 C-N-CA 122.367 2.045 . . . . 73.35 111.934 173.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.09 -30.89 72.7 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.865 2.377 . . . . 70.14 111.925 172.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -56.54 -50.91 70.47 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 123.778 0.831 . . . . 72.53 111.992 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.21 -32.94 73.66 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.718 0.807 . . . . 71.35 111.265 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -65.44 -46.38 80.12 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.995 -0.548 . . . . 73.54 109.948 173.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.19 -24.65 64.08 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.745 -0.661 . . . . 72.42 112.055 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CZ ' HD21 ' A' ' 103' ' ' LEU . 58.9 t80 -69.64 -38.55 77.21 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.671 0.788 . . . . 65.43 109.071 175.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.426 ' SG ' HG21 ' A' ' 110' ' ' THR . 65.3 m -71.84 -24.31 61.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.805 -1.089 . . . . 71.24 111.348 177.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.95 76.66 2.18 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.099 0.56 . . . . 71.35 110.099 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.444 HG11 ' HE2' ' A' ' 53' ' ' LYS . 16.3 m -142.49 156.6 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.859 1.264 . . . . 72.32 108.203 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.33 164.18 23.45 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.185 0.594 . . . . 70.31 109.872 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.523 ' HA ' HD12 ' A' ' 88' ' ' LEU . 26.0 tp60 -56.56 -48.68 96.68 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 112.907 0.706 . . . . 71.34 112.907 -176.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.47 -35.41 96.08 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 121.871 1.714 . . . . 62.24 112.67 172.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 m -69.58 -29.98 67.65 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.737 0.815 . . . . 74.1 111.314 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 85' ' ' GLN . 78.2 mt -59.72 -47.09 87.02 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.729 0.812 . . . . 73.43 110.187 171.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -65.83 -30.06 70.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.496 0.718 . . . . 74.32 111.576 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -66.38 -37.16 84.65 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.506 0.722 . . . . 64.13 111.595 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.556 HD23 HG23 ' A' ' 50' ' ' ILE . 93.1 mt -67.93 -36.53 80.3 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.052 0.541 . . . . 70.24 110.497 175.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.434 HD13 HD13 ' B' ' 92' ' ' ILE . 77.7 mt -67.2 -41.85 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.662 0.785 . . . . 73.41 109.954 175.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.95 -48.39 79.11 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.317 0.647 . . . . 73.34 110.724 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.07 -42.88 88.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.411 0.684 . . . . 72.11 111.227 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.4 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -65.45 -41.59 93.25 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.076 0.551 . . . . 75.13 111.624 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -74.06 -32.61 63.37 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.129 0.572 . . . . 74.32 110.759 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -72.04 -38.97 69.41 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.143 0.977 . . . . 70.52 110.771 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.8 mt -91.33 -6.77 52.54 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.778 0.831 . . . . 74.53 111.057 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 t70 54.22 65.05 1.62 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.838 1.255 . . . . 71.32 110.203 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.603 HG12 ' HA ' ' A' ' 24' ' ' SER . 35.2 mt -120.39 90.96 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 107.015 -1.476 . . . . 73.43 107.015 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -57.18 -45.46 99.92 Favored Pre-proline 0 CA--C 1.564 1.5 0 CA-C-O 118.131 -0.937 . . . . 75.43 111.318 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.413 ' O ' HG23 ' A' ' 106' ' ' VAL . 95.0 Cg_exo -49.34 -56.98 2.63 Favored 'Trans proline' 0 C--N 1.396 3.04 0 C-N-CA 122.193 1.929 . . . . 72.13 114.213 174.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.464 HD23 ' CD2' ' A' ' 57' ' ' TYR . 2.6 tm? -67.21 -39.16 86.26 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.838 0.455 . . . . 65.53 110.537 -175.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.613 HD21 HD21 ' B' ' 104' ' ' LEU . 49.7 tp -62.06 -40.91 97.4 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.889 0.743 . . . . 73.32 110.233 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.5 -38.92 65.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.614 -0.721 . . . . 74.02 110.581 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 102' ' ' PRO . 74.4 t -61.53 -46.15 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.984 0.514 . . . . 31.12 110.043 175.021 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.3 m -65.41 -41.06 94.0 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.031 0.532 . . . . 63.45 110.889 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.467 ' HB3' HD23 ' B' ' 93' ' ' LEU . 97.2 m -65.57 -39.48 91.71 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.533 0.733 . . . . 71.14 110.745 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.8 -51.26 63.12 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.844 0.458 . . . . 75.01 109.886 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.426 HG21 ' SG ' ' A' ' 81' ' ' CYS . 98.4 m -58.07 -51.19 70.71 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.802 0.841 . . . . 70.11 112.03 -175.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.463 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 26.8 m -61.42 -34.4 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 122.674 0.389 . . . . 54.25 110.902 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.408 ' HA ' HD11 ' A' ' 115' ' ' ILE . . . -73.62 -34.18 64.91 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.601 0.76 . . . . 72.41 111.933 177.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -73.52 -39.41 64.81 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.952 0.501 . . . . 74.43 111.148 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.463 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 59.3 mtm -70.36 -40.41 74.07 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.034 0.534 . . . . 75.21 111.526 -175.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' B' ' 86' ' ' PRO . 18.6 pt -69.8 -24.57 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 C-N-CA 123.057 0.543 . . . . 72.43 111.893 179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -90.16 -19.59 24.07 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.461 0.704 . . . . 74.41 110.616 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.321 0 CA-C-O 118.999 -0.89 . . . . 45.24 112.475 -178.001 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.617 0.246 . . . . 74.0 110.654 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.8 mt -81.75 117.42 22.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.036 0.534 . . . . 53.3 110.642 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 m -86.08 129.68 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 109.502 -0.555 . . . . 74.1 109.502 169.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.53 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 88.1 mttt -85.43 83.41 7.95 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.097 -0.956 . . . . 70.35 109.872 -174.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.49 89.74 6.18 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.753 -0.658 . . . . 74.45 110.209 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -78.76 134.41 37.03 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.71 -0.677 . . . . 55.1 109.956 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 54.1 p -86.69 176.49 7.74 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 123.982 0.913 . . . . 44.4 110.672 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.1 p -70.78 -13.92 62.23 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.129 0.572 . . . . 70.03 111.291 172.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.419 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 28.2 t70 -92.06 4.85 52.2 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.549 1.14 . . . . 61.11 110.517 175.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 77.94 -2.51 2.47 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.228 1.411 . . . . 73.04 112.771 172.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -76.7 125.64 29.61 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 121.399 -0.813 . . . . 71.43 110.063 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.59 111.76 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.582 1.153 . . . . 65.54 109.984 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -98.72 95.36 7.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.833 0.853 . . . . 74.24 109.525 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.53 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 31.9 mt-10 -81.02 78.21 7.85 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.158 -0.928 . . . . 74.52 109.527 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.425 HG13 ' NH2' ' B' ' 59' ' ' ARG . 20.5 tt -102.61 158.06 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.074 -0.713 . . . . 71.03 109.074 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.1 133.04 54.65 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.367 0.667 . . . . 53.22 110.085 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -58.3 -36.81 73.89 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.23 0.956 . . . . 63.2 111.541 -176.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.25 -29.76 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.969 0.908 . . . . 65.52 112.281 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 39.3 mt -81.18 -36.9 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 C-N-CA 123.313 0.645 . . . . 54.31 109.803 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.43 -16.15 62.91 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.906 -0.588 . . . . 74.43 112.065 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 75.7 m -74.11 -28.94 61.6 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.339 0.655 . . . . 41.2 110.54 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 81.1 mtp -60.94 -33.21 72.82 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.473 0.709 . . . . 74.1 109.939 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.598 ' HA ' HG12 ' B' ' 100' ' ' ILE . 44.3 t -73.72 105.77 5.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.704 -1.134 . . . . 75.13 108.224 165.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.38 -36.77 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 122.577 0.351 . . . . 72.01 111.621 -172.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 95.4 m -63.95 -49.4 72.71 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.737 0.415 . . . . 74.54 111.613 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.8 -42.18 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 122.804 0.442 . . . . 35.21 109.983 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -55.2 -50.31 69.7 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.086 0.954 . . . . 74.03 110.211 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -64.35 -32.17 73.67 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.426 -0.806 . . . . 65.44 111.09 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.8 mtt -64.96 -49.25 71.04 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.152 0.581 . . . . 74.02 110.398 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.81 -39.56 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 123.644 0.777 . . . . 54.02 110.567 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -74.23 -35.33 63.85 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.465 0.706 . . . . 71.44 111.724 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.23 -39.67 74.95 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.682 0.793 . . . . 74.32 110.614 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.73 -28.33 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 115.385 -0.825 . . . . 61.4 109.727 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.15 -58.19 0.77 Allowed Glycine 0 C--N 1.345 1.046 0 N-CA-C 110.906 -0.878 . . . . 74.1 110.906 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -137.01 125.12 22.95 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.59 1.156 . . . . 73.02 107.983 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 32.8 m -127.89 81.12 2.0 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.81 0.444 . . . . 74.25 110.877 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -79.79 -32.85 40.87 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 115.773 -0.648 . . . . 72.14 110.125 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.0 m -64.13 144.63 98.27 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 123.752 0.821 . . . . 63.15 110.846 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' PRO . . . . . 0.413 ' HG3' ' HD2' ' B' ' 5' ' ' LYS . 73.3 Cg_exo -52.36 120.8 7.91 Favored 'Trans proline' 0 C--N 1.384 2.419 0 C-N-CA 122.791 2.327 . . . . 61.51 112.368 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -74.94 112.01 15.92 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 108.761 -0.829 . . . . 75.15 108.761 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -85.56 124.55 2.73 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.67 2.246 . . . . 51.41 111.161 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.5 mt -108.33 93.83 12.23 Favored Pre-proline 0 CA--C 1.544 0.744 0 N-CA-C 107.998 -1.112 . . . . 75.23 107.998 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -71.6 -2.73 11.8 Favored 'Trans proline' 0 C--N 1.383 2.369 0 C-N-CA 123.392 2.728 . . . . 74.34 114.306 -172.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -139.29 72.53 1.4 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.258 0.551 . . . . 74.0 110.806 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 11.5 p -174.32 124.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 114.748 -1.115 . . . . 73.22 108.341 165.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 42.3 p -70.06 154.19 42.25 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.915 0.486 . . . . 45.33 110.085 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.419 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 65.8 p -60.51 -48.07 83.39 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.985 0.914 . . . . 71.55 112.839 -172.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.483 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 36.3 p -58.9 -46.99 86.55 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.049 0.843 . . . . 75.31 110.895 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.573 HG23 HD23 ' B' ' 91' ' ' LEU . 49.5 mm -69.01 -42.28 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.25 0.62 . . . . 71.45 110.922 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.16 -42.33 90.47 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.392 0.677 . . . . 54.22 110.225 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.67 -46.46 89.65 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.91 0.884 . . . . 71.32 110.712 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' B' ' 49' ' ' THR . 31.0 mtpp -58.72 -44.23 90.37 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.925 0.766 . . . . 72.32 111.281 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 98.1 t -70.08 -43.2 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-N 115.472 -0.785 . . . . 73.21 110.625 -177.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.33 -33.3 74.05 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.282 0.633 . . . . 61.13 111.443 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.36 -44.31 68.37 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.486 0.715 . . . . 73.45 109.709 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' TYR . . . . . 0.463 ' CD2' HD23 ' B' ' 103' ' ' LEU . 88.6 t80 -60.63 -45.79 92.74 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.768 0.427 . . . . 65.45 110.446 175.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 89.5 m -59.59 -36.72 76.82 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 123.814 0.696 . . . . 71.03 110.683 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.425 ' NH2' HG13 ' B' ' 16' ' ' ILE . 35.1 ttm180 -65.06 -42.48 94.15 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.998 0.519 . . . . 73.44 110.996 175.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -62.59 -45.59 92.19 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.182 0.593 . . . . 73.34 110.866 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -77.68 -14.22 59.68 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.587 -0.733 . . . . 74.31 110.846 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -80.39 -36.12 34.35 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.645 -0.502 . . . . 74.34 109.645 173.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -73.53 -24.49 60.14 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.288 0.635 . . . . 61.31 110.71 175.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 . . . . . 0 CA--C 1.551 1.0 0 C-N-CA 124.118 0.967 . . . . 64.13 108.513 174.74 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 CA--C 1.555 1.138 0 N-CA-C 109.825 -0.435 . . . . 73.44 109.825 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -65.98 152.5 81.19 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.512 2.142 . . . . 75.44 111.813 173.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.8 -31.26 71.53 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 123.005 2.47 . . . . 74.21 111.973 172.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -56.3 -50.29 71.83 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.65 0.78 . . . . 71.14 112.105 175.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.05 -32.4 73.76 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.748 0.819 . . . . 72.45 111.334 -176.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -65.51 -46.63 78.9 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.83 0.707 . . . . 73.41 109.873 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.56 -24.26 63.68 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.319 0.648 . . . . 63.22 112.069 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.438 ' CZ ' HD21 ' B' ' 103' ' ' LEU . 58.8 t80 -70.1 -38.47 75.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.598 0.759 . . . . 73.33 109.175 175.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' CYS . . . . . 0.44 ' SG ' HG21 ' B' ' 110' ' ' THR . 72.4 m -72.04 -24.9 61.61 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.833 -1.076 . . . . 72.13 111.443 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -74.68 78.44 2.03 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.938 0.495 . . . . 74.2 109.745 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.439 HG11 ' HE2' ' B' ' 53' ' ' LYS . 16.4 m -143.8 154.72 15.9 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 C-N-CA 125.03 1.332 . . . . 62.01 107.86 175.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -67.99 163.55 21.98 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.302 0.641 . . . . 54.11 109.657 -175.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.513 ' HA ' HD12 ' B' ' 88' ' ' LEU . 27.4 tp60 -56.3 -47.35 99.04 Favored Pre-proline 0 N--CA 1.488 1.466 0 CA-C-O 118.84 -0.6 . . . . 71.3 112.524 -176.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.679 ' HA ' HD12 ' A' ' 115' ' ' ILE . 24.3 Cg_endo -60.34 -35.41 91.38 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 121.522 1.482 . . . . 72.54 113.631 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.1 m -69.87 -29.6 66.86 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 123.977 0.911 . . . . 72.13 111.241 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' B' ' 85' ' ' GLN . 77.9 mt -59.17 -47.41 85.39 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.837 0.855 . . . . 74.12 110.662 171.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -66.73 -29.38 69.35 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.45 -0.795 . . . . 63.43 111.698 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -66.4 -36.83 83.82 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.61 0.764 . . . . 60.31 111.692 173.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.573 HD23 HG23 ' B' ' 50' ' ' ILE . 94.1 mt -67.91 -36.72 80.67 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.169 0.588 . . . . 74.52 110.421 175.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.434 HD13 HD13 ' A' ' 92' ' ' ILE . 77.0 mt -67.12 -41.8 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.675 0.79 . . . . 54.42 109.921 175.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 108' ' ' CYS . 10.9 mt -61.89 -49.52 75.88 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.288 0.635 . . . . 44.23 111.045 176.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.42 89.22 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.906 0.754 . . . . 73.12 111.093 -174.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.54 92.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.03 0.532 . . . . 75.32 111.255 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -73.76 -34.54 64.74 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.006 0.522 . . . . 65.3 110.698 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -70.84 -38.26 73.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.862 0.865 . . . . 75.34 110.783 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 89.0 mt -91.4 -6.92 52.1 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.757 0.823 . . . . 70.12 110.976 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.9 t70 54.19 65.51 1.49 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.959 1.303 . . . . 73.13 110.081 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.598 HG12 ' HA ' ' B' ' 24' ' ' SER . 35.6 mt -120.51 91.25 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 107.029 -1.471 . . . . 72.21 107.029 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -57.79 -44.94 99.8 Favored Pre-proline 0 CA--C 1.567 1.601 0 CA-C-O 118.008 -0.996 . . . . 71.31 111.282 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' PRO . . . . . 0.417 ' O ' HG23 ' B' ' 106' ' ' VAL . 95.3 Cg_exo -49.35 -57.08 2.56 Favored 'Trans proline' 0 C--N 1.396 3.039 0 C-N-CA 122.169 1.913 . . . . 61.05 114.207 173.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.463 HD23 ' CD2' ' B' ' 57' ' ' TYR . 2.6 tm? -67.27 -38.94 85.91 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.804 0.442 . . . . 75.41 110.527 -175.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.613 HD21 HD21 ' A' ' 104' ' ' LEU . 53.1 tp -61.89 -42.28 98.88 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.922 0.764 . . . . 75.04 110.384 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -73.46 -38.07 65.57 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.541 -0.754 . . . . 63.22 110.21 -175.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 102' ' ' PRO . 75.0 t -61.15 -46.56 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 122.955 0.502 . . . . 74.11 110.001 174.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 56.6 m -65.23 -40.87 94.64 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.199 0.6 . . . . 63.3 111.115 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 93.1 m -66.19 -37.42 85.56 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.559 0.744 . . . . 74.23 110.876 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.94 -51.1 59.34 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.739 0.416 . . . . 72.45 109.882 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' THR . . . . . 0.44 HG21 ' SG ' ' B' ' 81' ' ' CYS . 98.6 m -57.51 -51.33 69.89 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.039 0.837 . . . . 53.52 111.949 -175.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.436 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 35.6 m -61.82 -34.69 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 122.73 0.412 . . . . 72.31 110.714 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.1 -34.84 66.43 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.347 0.659 . . . . 73.4 111.275 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -72.59 -40.3 66.67 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.173 0.589 . . . . 64.13 110.944 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' MET . . . . . 0.436 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 63.6 mtm -70.31 -40.02 74.47 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.014 0.526 . . . . 63.2 111.479 -175.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.6 pt -71.0 -22.34 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 122.665 0.386 . . . . 52.42 111.792 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 . . . . . 0 N--CA 1.48 1.068 0 C-N-CA 123.669 0.787 . . . . 75.25 110.743 173.952 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 CA--C 1.538 0.499 0 N-CA-C 109.254 -0.647 . . . . 75.15 109.254 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.574 HG12 ' HA ' ' A' ' 38' ' ' ASP . 13.8 m -89.25 136.01 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 109.062 -0.718 . . . . 74.31 109.062 168.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 64.2 mttp -83.8 120.0 25.51 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.585 -0.734 . . . . 74.14 109.674 -178.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.465 HD21 HD13 ' A' ' 27' ' ' ILE . 9.2 mp -109.41 95.83 5.88 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.563 0.745 . . . . 54.22 109.265 177.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -80.75 121.85 26.42 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.91 -0.774 . . . . 64.44 108.91 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -82.35 174.99 10.61 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.349 0.66 . . . . 73.44 110.811 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.6 t -65.59 -22.08 66.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.93 0.892 . . . . 61.31 111.181 172.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.45 5.12 36.64 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.951 0.901 . . . . 61.13 111.031 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 74.01 5.45 4.74 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.938 1.295 . . . . 73.15 112.784 171.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -90.79 127.72 36.44 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.019 0.528 . . . . 73.43 109.888 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.6 t -96.33 124.05 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 C-N-CA 124.294 1.038 . . . . 75.24 110.447 -175.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -109.4 106.46 16.25 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.398 1.079 . . . . 70.21 109.119 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 41.4 mt-10 -77.98 83.38 4.29 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.104 0.562 . . . . 73.22 109.487 178.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.5 151.97 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 108.7 -0.852 . . . . 72.21 108.7 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.15 132.36 53.45 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.272 0.629 . . . . 63.25 109.435 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -53.42 -40.5 65.19 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.089 0.868 . . . . 72.23 111.351 -175.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -61.08 -33.91 74.07 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.953 0.901 . . . . 50.23 112.446 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.4 mt -79.05 -31.84 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.371 0.668 . . . . 64.14 110.123 177.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.3 -21.05 59.91 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.161 0.584 . . . . 61.14 111.92 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.6 m -73.48 -23.23 60.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.566 0.746 . . . . 52.12 111.765 175.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 79.7 mtp -60.84 -38.05 84.15 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.442 0.639 . . . . 73.25 110.293 173.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.421 ' HA ' HG12 ' A' ' 100' ' ' ILE . 48.0 t -73.72 112.86 10.22 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 114.545 -1.207 . . . . 74.11 108.434 170.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.58 -45.08 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 123.177 0.591 . . . . 54.33 111.219 -175.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.4 m -64.84 -48.93 72.56 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.093 0.557 . . . . 71.05 111.864 -177.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.465 HD13 HD21 ' A' ' 6' ' ' LEU . 92.8 mt -62.61 -41.31 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 C-N-CA 123.181 0.592 . . . . 72.03 110.399 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -56.98 -47.66 80.25 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.091 0.956 . . . . 71.0 110.249 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -65.52 -32.65 74.36 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.43 0.692 . . . . 75.44 111.291 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.9 mtt -63.76 -43.99 94.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.193 0.597 . . . . 74.43 110.718 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.56 -43.26 87.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.585 -0.734 . . . . 74.54 110.121 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.7 -27.91 65.39 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.556 0.743 . . . . 71.13 111.833 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.14 -39.49 71.95 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.492 0.717 . . . . 62.13 110.315 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.6 mt -79.81 -11.5 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 CA-C-N 115.19 -0.914 . . . . 65.22 109.502 172.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.88 -73.23 1.18 Allowed Glycine 0 C--N 1.348 1.221 0 N-CA-C 110.64 -0.984 . . . . 22.41 110.64 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -137.79 107.39 6.2 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.386 -0.968 . . . . 75.32 108.386 177.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.7 p -141.56 106.39 4.92 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.056 0.542 . . . . 72.23 111.033 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.574 ' HA ' HG12 ' A' ' 4' ' ' VAL . 8.8 p-10 -89.48 -17.03 29.45 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.832 0.853 . . . . 54.11 109.828 168.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -56.95 151.66 32.33 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 124.936 1.295 . . . . 55.13 111.757 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.16 105.91 0.13 Allowed 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 123.266 2.644 . . . . 51.44 114.03 -173.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -71.39 108.58 4.04 Favored Pre-proline 0 CA--C 1.558 1.255 0 N-CA-C 108.229 -1.026 . . . . 75.05 108.229 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.11 126.36 7.77 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.352 2.034 . . . . 75.24 111.06 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.6 mt -115.31 88.27 18.19 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.139 0.976 . . . . 65.24 108.702 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -85.78 62.74 5.41 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.564 2.843 . . . . 42.34 111.414 -174.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -161.94 -58.02 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.004 -0.998 . . . . 75.45 108.846 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.63 128.64 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 CA-C-N 115.468 -0.787 . . . . 71.31 110.037 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.8 p -80.26 175.7 10.42 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.235 0.614 . . . . 73.42 110.703 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.9 p -65.79 -47.82 73.83 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.57 0.748 . . . . 55.42 112.38 -173.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.8 p -63.28 -39.33 94.29 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.633 0.773 . . . . 51.41 111.134 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.665 HG23 HD23 ' A' ' 91' ' ' LEU . 50.4 mm -72.81 -46.52 52.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.23 -0.896 . . . . 71.42 109.765 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.446 HD21 ' HB3' ' A' ' 6' ' ' LEU . 44.9 tp -62.7 -34.67 77.63 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.345 0.658 . . . . 71.22 111.203 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.5 -51.82 67.84 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.03 0.932 . . . . 72.12 110.152 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HB3' ' HE1' ' A' ' 80' ' ' PHE . 28.4 mtmm -62.12 -41.94 98.74 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.101 -0.954 . . . . 71.02 111.904 178.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.26 -45.89 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 C-N-CA 123.74 0.816 . . . . 73.14 110.781 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.03 -36.0 72.2 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.938 0.495 . . . . 74.41 111.171 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.462 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 33.3 t70 -70.83 -35.62 72.54 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.77 0.669 . . . . 71.34 110.654 -177.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -66.23 -44.98 82.27 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.976 -0.556 . . . . 74.12 109.751 174.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.38 -30.61 71.32 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.778 0.831 . . . . 74.53 111.738 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.462 ' HD2' ' HA ' ' A' ' 56' ' ' ASP . 90.2 mtt-85 -56.99 -53.91 52.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.106 0.563 . . . . 74.52 110.531 172.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -59.11 -42.72 91.2 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 123.704 0.627 . . . . 61.04 111.395 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -63.26 -31.91 73.18 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 123.879 0.737 . . . . 73.04 111.245 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -82.76 -46.31 13.29 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.638 0.775 . . . . 74.24 112.124 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -70.94 -28.35 64.42 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.889 0.875 . . . . 74.21 110.89 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 . . . . . 0 C--O 1.242 0.706 0 N-CA-C 107.321 -1.363 . . . . 71.11 107.321 170.964 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm . . . . . 0 CA--C 1.563 1.462 0 N-CA-C 111.829 0.307 . . . . 74.53 111.829 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.9 148.37 88.9 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.866 2.377 . . . . 73.11 113.45 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.44 -57.27 2.45 Favored 'Trans proline' 0 C--N 1.387 2.605 0 C-N-CA 124.613 3.542 . . . . 64.0 115.527 -171.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -52.75 -45.84 67.22 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.228 0.611 . . . . 74.23 111.202 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.82 -26.96 62.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.686 1.194 . . . . 73.1 110.529 -171.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -74.11 -37.06 64.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.797 0.839 . . . . 74.21 110.326 173.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.415 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 12.5 m-20 -70.46 -28.4 64.98 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.863 0.465 . . . . 72.0 110.922 174.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.429 ' HE1' ' HB3' ' A' ' 53' ' ' LYS . 79.8 t80 -63.52 -36.14 82.79 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.834 0.854 . . . . 74.14 110.487 175.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.8 m -65.7 -28.65 69.22 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.66 -0.7 . . . . 75.34 111.69 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' A' ' 79' ' ' ASP . 49.6 mtmt -91.08 86.98 6.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.14 0.576 . . . . 71.25 109.716 -177.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.77 -179.23 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.26 1.024 . . . . 63.44 109.283 173.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.31 152.15 45.86 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.499 0.72 . . . . 73.21 109.554 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -59.09 -53.5 65.71 Favored Pre-proline 0 CA--C 1.569 1.694 0 C-N-CA 123.625 0.77 . . . . 72.44 112.692 -172.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 53.7 Cg_exo -57.29 -43.51 51.74 Favored 'Trans proline' 0 C--N 1.39 2.734 0 C-N-CA 122.163 1.909 . . . . 45.4 112.728 171.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.1 m -57.86 -33.56 68.8 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.595 1.158 . . . . 71.54 112.024 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.44 -45.42 83.9 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.958 0.903 . . . . 72.24 109.239 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -67.38 -31.15 71.19 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.961 -0.563 . . . . 75.11 111.414 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 23.5 mm-40 -66.4 -36.65 83.36 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.974 0.51 . . . . 72.25 111.105 175.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.665 HD23 HG23 ' A' ' 50' ' ' ILE . 97.6 mt -68.16 -35.77 78.6 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.487 0.715 . . . . 61.3 110.815 175.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.58 -46.03 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.364 0.666 . . . . 63.25 109.977 175.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.39 -38.68 92.09 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.852 0.861 . . . . 61.54 111.022 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.78 -37.52 70.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.685 0.794 . . . . 70.41 111.152 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.513 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -69.16 -29.03 66.97 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.397 0.679 . . . . 52.45 111.719 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -76.22 -50.02 15.6 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.882 0.873 . . . . 60.15 110.336 172.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -61.67 -36.34 80.55 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.34 1.056 . . . . 63.33 111.93 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.8 mt -99.54 -13.01 19.63 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.6 0.76 . . . . 70.14 111.119 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.1 t70 47.11 82.84 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.435 1.494 . . . . 65.24 112.09 -172.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.421 HG12 ' HA ' ' A' ' 24' ' ' SER . 38.5 mt -125.83 103.55 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 107.431 -1.322 . . . . 72.45 107.431 174.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -57.1 -46.64 99.84 Favored Pre-proline 0 CA--C 1.561 1.388 0 C-N-CA 124.095 0.958 . . . . 74.12 113.432 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.3 -38.39 94.95 Favored 'Trans proline' 0 C--N 1.397 3.094 0 C-N-CA 122.147 1.898 . . . . 74.15 113.516 174.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.513 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -70.71 -46.95 62.15 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.914 -0.773 . . . . 71.15 108.914 -179.165 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.3 tp -65.11 -47.91 75.5 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.632 -1.167 . . . . 73.03 111.012 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.15 -51.01 69.58 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 124.23 0.956 . . . . 72.33 110.736 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 37.6 t -61.09 -52.65 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 O-C-N 124.217 0.948 . . . . 70.31 112.373 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.483 HG21 ' HB2' ' A' ' 91' ' ' LEU . 31.1 m -68.96 -41.13 78.41 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 111.976 0.361 . . . . 63.11 111.976 -172.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 85.7 m -70.07 -30.61 67.9 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.039 0.536 . . . . 73.34 110.88 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' A' ' 109' ' ' LYS . 31.9 ttmt -73.52 -32.16 64.09 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.435 0.694 . . . . 74.24 110.068 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.1 m -62.91 -49.03 76.41 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.392 0.677 . . . . 64.21 111.399 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.05 -33.21 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 123.028 0.205 . . . . 54.31 110.453 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.25 -30.3 70.16 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.671 0.788 . . . . 74.03 111.797 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -79.12 -31.08 44.04 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.675 0.79 . . . . 51.21 110.671 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 41.1 mtm -70.53 -43.9 68.65 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.975 0.51 . . . . 71.12 110.472 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 pt -71.78 -32.73 45.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 N-CA-C 109.592 -0.521 . . . . 74.01 109.592 175.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 54.42 82.87 0.08 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.067 1.347 . . . . 73.55 111.703 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.251 0 CA-C-O 118.98 -0.9 . . . . 64.13 113.133 178.019 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.689 0.281 . . . . 75.33 110.436 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 80.5 mt -87.03 121.84 30.04 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.771 -0.65 . . . . 72.2 109.605 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' B' ' 38' ' ' ASP . 12.7 m -87.56 136.09 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.985 -0.746 . . . . 65.41 108.985 169.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.587 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 64.1 mttp -83.96 120.23 25.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.581 -0.736 . . . . 71.41 109.656 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.468 HD21 HD13 ' B' ' 27' ' ' ILE . 9.2 mp -109.7 95.54 5.67 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.683 0.793 . . . . 55.54 109.265 177.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.64 121.99 26.54 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.017 -0.735 . . . . 73.4 109.017 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -82.51 175.19 10.4 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 123.381 0.673 . . . . 75.12 111.114 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -64.33 -24.28 67.59 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.049 0.94 . . . . 64.44 111.17 172.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -85.63 5.79 30.29 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.817 0.847 . . . . 75.23 110.849 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 73.31 6.4 5.16 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.785 1.234 . . . . 75.24 112.822 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.06 128.54 37.94 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.029 0.531 . . . . 62.23 109.724 176.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 80.3 t -97.72 123.37 50.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 124.242 1.017 . . . . 71.0 110.334 -174.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.92 106.19 16.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.303 1.041 . . . . 73.44 109.171 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.587 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 40.3 mt-10 -77.89 83.13 4.23 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 123.228 0.611 . . . . 75.12 109.498 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.16 151.92 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.338 -0.846 . . . . 62.51 108.816 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.48 132.42 53.85 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 109.368 -0.604 . . . . 53.34 109.368 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -53.64 -39.82 65.32 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 124.119 0.887 . . . . 72.55 111.454 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.07 -35.92 78.24 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 124.058 0.849 . . . . 71.22 111.862 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 52.1 mt -76.73 -32.52 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 123.769 0.828 . . . . 73.44 110.333 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.36 -20.58 60.03 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.107 0.563 . . . . 52.12 112.036 176.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 74.4 m -74.05 -22.99 59.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.675 0.79 . . . . 72.33 111.679 175.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 81.9 mtp -61.5 -37.79 84.99 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.454 0.645 . . . . 51.42 110.203 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.432 ' HA ' HG12 ' B' ' 100' ' ' ILE . 48.4 t -73.55 112.97 10.14 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.563 -1.199 . . . . 71.32 108.579 169.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 97.3 t -63.81 -45.3 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 123.285 0.634 . . . . 74.04 111.324 -175.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 38.0 m -64.32 -48.71 74.57 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.202 0.601 . . . . 53.05 112.09 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.468 HD13 HD21 ' B' ' 6' ' ' LEU . 93.5 mt -62.99 -41.51 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 123.235 0.614 . . . . 72.33 110.26 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -56.35 -48.4 76.87 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.195 0.998 . . . . 73.04 110.331 174.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.92 -31.86 73.03 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.496 0.718 . . . . 70.05 111.284 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 60.6 mtt -64.53 -43.7 93.16 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.183 0.593 . . . . 63.21 110.639 177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.22 -43.01 88.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.577 -0.738 . . . . 74.3 110.067 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -70.42 -27.9 64.64 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.747 0.819 . . . . 65.31 112.04 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -70.16 -41.22 74.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.716 0.806 . . . . 70.14 110.234 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 57.7 mt -77.6 -14.49 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 CA-C-N 114.987 -1.006 . . . . 64.33 109.461 172.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.59 -73.1 0.9 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 110.741 -0.944 . . . . 53.34 110.741 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -137.48 107.13 6.19 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 108.389 -0.967 . . . . 73.14 108.389 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 38.4 p -142.03 106.61 4.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.255 0.622 . . . . 73.31 111.073 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASP . . . . . 0.583 ' HA ' HG12 ' B' ' 4' ' ' VAL . 8.8 p-10 -91.54 -12.96 32.95 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.67 0.788 . . . . 73.22 110.045 169.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -58.87 151.91 51.86 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 124.73 1.212 . . . . 50.15 111.593 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.23 106.69 0.15 Allowed 'Trans proline' 0 C--N 1.386 2.504 0 C-N-CA 123.237 2.625 . . . . 44.31 113.777 -174.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -72.34 108.97 4.92 Favored Pre-proline 0 CA--C 1.555 1.137 0 N-CA-C 108.009 -1.108 . . . . 73.22 108.009 171.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.7 127.61 8.88 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.242 1.961 . . . . 72.12 110.834 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.1 mt -116.68 88.11 23.74 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.051 0.94 . . . . 73.05 108.666 -177.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -85.73 63.12 5.51 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 123.65 2.9 . . . . 63.54 111.679 -173.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -162.62 -56.8 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.009 -0.996 . . . . 73.33 108.882 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.52 128.46 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 115.382 -0.826 . . . . 74.13 110.119 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 77.4 p -79.86 174.76 11.26 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.216 0.607 . . . . 72.23 110.617 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 70.5 p -64.75 -48.18 75.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.445 0.698 . . . . 50.41 112.233 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -63.32 -39.01 93.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.735 0.814 . . . . 72.21 111.045 -176.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.664 HG23 HD23 ' B' ' 91' ' ' LEU . 50.2 mm -72.95 -46.7 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.232 -0.894 . . . . 41.24 109.719 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' B' ' 6' ' ' LEU . 45.2 tp -62.5 -34.83 77.64 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.572 0.749 . . . . 52.34 111.124 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -52.04 66.79 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.997 0.919 . . . . 64.21 109.952 176.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.412 ' HB3' ' HE1' ' B' ' 80' ' ' PHE . 28.4 mtmm -61.93 -41.65 98.19 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.087 -0.961 . . . . 71.2 111.802 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.35 -45.58 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 123.751 0.821 . . . . 72.42 110.86 -178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.4 -36.18 71.28 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 116.108 -0.496 . . . . 65.13 111.179 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' B' ' 59' ' ' ARG . 35.8 t70 -71.21 -35.46 71.52 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.834 0.709 . . . . 73.12 110.717 -177.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -65.52 -45.06 84.96 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 122.937 0.495 . . . . 74.24 109.88 174.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 92.7 m -62.43 -30.45 71.24 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.62 0.768 . . . . 72.43 111.74 177.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' B' ' 56' ' ' ASP . 90.4 mtt-85 -57.23 -53.75 54.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.081 0.553 . . . . 73.32 110.507 172.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -59.17 -43.35 92.14 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 123.653 0.596 . . . . 75.43 111.431 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -62.48 -33.65 75.28 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.984 0.803 . . . . 73.25 111.125 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -80.95 -46.96 14.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.495 0.718 . . . . 75.41 111.825 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -70.45 -27.94 64.64 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.023 0.929 . . . . 73.21 111.003 -174.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 107.2 -1.407 . . . . 74.41 107.2 171.113 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm . . . . . 0 CA--C 1.563 1.467 0 N-CA-C 111.778 0.288 . . . . 75.14 111.778 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.61 148.26 88.31 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.89 2.393 . . . . 62.04 113.19 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.63 -55.75 3.81 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 124.664 3.576 . . . . 53.05 115.459 -171.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -53.66 -46.87 70.73 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.342 0.657 . . . . 74.5 111.29 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.49 -27.05 63.91 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.647 1.179 . . . . 74.13 110.385 -172.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -74.27 -37.52 63.7 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.041 0.937 . . . . 44.21 110.38 173.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ASP . . . . . 0.474 ' HA ' ' HE2' ' B' ' 82' ' ' LYS . 13.7 m-20 -69.31 -30.45 68.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.796 0.439 . . . . 72.44 110.671 174.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.412 ' HE1' ' HB3' ' B' ' 53' ' ' LYS . 78.4 t80 -61.82 -36.43 81.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.143 0.977 . . . . 62.45 110.451 176.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 58.2 m -65.78 -28.98 69.42 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.644 -0.707 . . . . 63.13 111.653 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' B' ' 79' ' ' ASP . 49.0 mtmt -90.5 89.21 7.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.1 0.56 . . . . 73.1 109.515 -178.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -128.1 -179.78 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.436 1.094 . . . . 71.52 109.069 173.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.73 152.63 45.29 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.444 0.698 . . . . 74.15 109.488 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -59.2 -53.81 62.54 Favored Pre-proline 0 CA--C 1.569 1.704 0 CA-C-O 118.257 -0.878 . . . . 63.22 112.799 -172.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.431 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 53.7 Cg_exo -56.76 -43.71 52.05 Favored 'Trans proline' 0 C--N 1.392 2.85 0 C-N-CA 122.163 1.909 . . . . 72.15 112.463 171.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 87.5 m -57.75 -33.46 68.5 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.434 1.093 . . . . 73.3 112.209 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.74 -45.0 84.26 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.66 0.784 . . . . 71.54 109.25 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.411 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 35.0 m-85 -67.73 -31.14 70.85 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.879 -0.601 . . . . 75.54 111.324 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 33.2 mm-40 -66.54 -36.64 83.17 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.021 0.528 . . . . 74.3 111.107 176.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.664 HD23 HG23 ' B' ' 50' ' ' ILE . 97.6 mt -68.15 -35.34 77.93 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.626 0.77 . . . . 64.12 110.899 175.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.81 -46.22 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.452 0.701 . . . . 55.02 110.021 175.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 95.3 mt -63.43 -38.69 92.11 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.808 0.843 . . . . 72.35 110.911 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.72 -37.59 70.6 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.554 0.741 . . . . 51.02 111.077 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -69.28 -29.13 66.94 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.372 0.669 . . . . 51.22 111.65 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -76.39 -50.24 14.69 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.57 0.748 . . . . 75.01 110.136 172.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -61.4 -35.82 78.59 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.329 1.052 . . . . 64.31 111.881 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.6 mt -99.92 -12.81 19.49 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.7 0.8 . . . . 73.14 111.223 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 38.2 t70 47.53 81.31 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.696 1.598 . . . . 64.23 112.222 -173.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.432 HG12 ' HA ' ' B' ' 24' ' ' SER . 37.5 mt -124.71 103.11 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 107.445 -1.317 . . . . 74.33 107.445 175.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -56.79 -46.5 99.84 Favored Pre-proline 0 CA--C 1.562 1.406 0 C-N-CA 124.044 0.938 . . . . 74.05 113.472 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.55 -38.29 94.29 Favored 'Trans proline' 0 C--N 1.397 3.131 0 C-N-CA 122.049 1.833 . . . . 62.2 113.535 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' B' ' 95' ' ' ALA . 0.2 OUTLIER -70.75 -46.92 62.1 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.886 -0.783 . . . . 73.31 108.886 -179.145 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 38.8 tp -65.37 -47.69 75.51 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 114.594 -1.184 . . . . 64.04 111.086 -172.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.88 -51.76 66.86 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 124.065 0.853 . . . . 71.3 110.534 -175.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 37.5 t -60.61 -52.94 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 124.274 0.984 . . . . 53.1 112.421 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.491 HG21 ' HB2' ' B' ' 91' ' ' LEU . 31.2 m -68.59 -41.12 80.08 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 111.997 0.369 . . . . 64.53 111.997 -172.225 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.42 -29.97 66.72 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.961 0.504 . . . . 74.13 111.093 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -73.75 -32.87 64.05 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.599 0.759 . . . . 73.22 109.898 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 98.5 m -62.54 -49.42 75.39 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.711 0.804 . . . . 51.02 111.247 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 p -64.71 -33.18 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 122.997 0.186 . . . . 70.04 110.559 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.42 -28.78 67.37 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.599 0.76 . . . . 70.45 111.611 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -79.38 -31.73 42.92 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.644 0.778 . . . . 72.51 110.738 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 39.7 mtm -70.3 -42.63 71.77 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.051 0.54 . . . . 63.1 110.533 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.1 pt -72.75 -32.74 41.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 N-CA-C 109.679 -0.489 . . . . 64.55 109.679 175.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? . . . . . 0 C--N 1.36 1.028 0 C-N-CA 125.08 1.352 . . . . 75.11 111.655 175.74 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.2 mt . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 110.388 -0.227 . . . . 75.31 110.388 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 m -91.11 130.71 39.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 108.867 -0.79 . . . . 63.43 108.867 166.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.52 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 96.4 mttt -85.33 94.65 9.0 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.639 0.776 . . . . 73.14 109.793 -174.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.422 HD13 HD13 ' A' ' 27' ' ' ILE . 81.8 mt -93.17 92.49 7.79 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.681 -0.488 . . . . 63.21 109.681 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 43.2 tt0 -75.67 135.4 40.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.536 -0.756 . . . . 75.14 109.386 175.274 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.7 p -82.05 175.47 10.32 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 123.561 0.744 . . . . 74.21 110.765 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.0 p -63.98 -25.85 68.32 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.248 0.619 . . . . 73.34 110.532 170.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -83.57 8.67 13.45 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.203 1.001 . . . . 71.03 111.407 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 71.08 5.88 5.63 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.602 1.161 . . . . 71.1 113.72 172.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -92.15 123.49 35.54 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.511 -0.552 . . . . 71.15 109.511 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 46.4 t -87.63 124.02 40.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 123.676 0.791 . . . . 61.24 110.257 -175.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -110.14 101.54 10.32 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.002 0.921 . . . . 74.24 108.906 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.52 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 38.5 mt-10 -81.84 95.24 7.25 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.359 0.664 . . . . 70.24 109.462 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 tp -104.22 152.23 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.047 -1.094 . . . . 43.24 108.047 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.6 142.11 57.59 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.882 -0.414 . . . . 51.13 109.882 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.92 -40.89 97.52 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.461 0.704 . . . . 74.34 111.167 -174.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -56.04 -27.63 54.02 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.515 1.126 . . . . 53.02 112.486 176.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.4 mt -81.55 -45.86 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 124.081 0.952 . . . . 64.21 109.611 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.04 -9.44 58.63 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.041 0.936 . . . . 74.44 112.564 -175.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.3 m -69.88 -29.64 66.9 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.68 0.792 . . . . 45.15 111.494 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 50.8 mtm -66.09 -26.24 67.39 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.105 0.562 . . . . 74.32 110.486 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.6 t -74.19 102.76 4.38 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 107.937 -1.134 . . . . 73.41 107.937 167.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 74.9 t -59.22 -44.39 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.504 0.722 . . . . 50.33 111.129 -176.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.1 m -60.44 -51.64 68.6 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.396 0.679 . . . . 55.43 111.834 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.422 HD13 HD13 ' A' ' 6' ' ' LEU . 86.6 mt -64.91 -43.35 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.106 0.562 . . . . 64.52 110.808 -178.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -58.29 -48.18 81.28 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.614 0.766 . . . . 71.45 110.181 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -64.44 -32.68 74.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.796 0.839 . . . . 75.41 111.435 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.9 mtt -67.06 -43.52 82.44 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.935 0.494 . . . . 70.15 110.7 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.5 -44.37 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.48 0.712 . . . . 61.15 109.929 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -75.41 -25.0 57.22 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.807 0.843 . . . . 62.1 111.734 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.34 -40.49 74.07 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.738 0.815 . . . . 71.43 109.952 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.412 HG21 ' HB2' ' A' ' 37' ' ' SER . 59.8 mt -76.04 -26.49 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.19 -0.914 . . . . 74.1 109.789 172.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.52 -75.99 0.85 Allowed Glycine 0 C--N 1.346 1.125 0 N-CA-C 110.01 -1.236 . . . . 52.54 110.01 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -137.11 137.5 39.34 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.555 1.142 . . . . 60.22 108.347 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.412 ' HB2' HG21 ' A' ' 34' ' ' ILE . 40.0 t -149.58 107.28 3.67 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.326 0.65 . . . . 75.43 110.347 -176.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -83.58 -20.55 33.57 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.487 0.715 . . . . 63.12 110.27 175.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.5 p -65.17 139.79 97.72 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 123.385 0.674 . . . . 65.42 110.225 175.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -57.56 132.75 52.31 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.886 2.391 . . . . 51.42 112.298 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -87.45 107.23 14.09 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 108.107 -1.071 . . . . 75.21 108.107 176.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -90.0 122.28 1.03 Allowed 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.71 2.273 . . . . 73.34 112.021 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -98.95 101.16 11.43 Favored Pre-proline 0 CA--C 1.548 0.891 0 N-CA-C 108.58 -0.896 . . . . 71.5 108.58 175.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.77 50.63 3.22 Favored 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 123.107 2.538 . . . . 50.12 112.641 -175.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -148.39 -56.5 0.22 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.84 0.856 . . . . 72.0 109.419 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -80.93 121.12 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 CA-C-N 115.954 -0.567 . . . . 70.53 110.092 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.1 p -75.19 170.97 14.99 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.356 0.663 . . . . 73.42 110.574 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.8 p -65.79 -41.63 91.72 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.213 0.605 . . . . 74.12 111.45 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.1 m -58.34 -41.9 85.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.355 1.062 . . . . 62.53 111.16 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.631 HG23 HD23 ' A' ' 91' ' ' LEU . 44.5 mm -80.47 -46.14 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.572 -0.74 . . . . 71.21 110.556 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.34 -29.57 70.55 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.126 0.97 . . . . 71.44 111.075 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -51.92 -52.33 50.71 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.08 0.952 . . . . 73.33 110.191 171.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -77.75 -33.89 52.69 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.131 0.972 . . . . 71.44 112.574 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.545 HG11 HD12 ' A' ' 98' ' ' LEU . 54.9 t -59.83 -50.9 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 109.668 -0.493 . . . . 62.23 109.668 178.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.81 -26.11 59.49 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.658 0.783 . . . . 73.22 111.818 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.34 -53.13 61.31 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.186 0.594 . . . . 70.43 110.607 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -68.11 -36.46 79.79 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.857 0.723 . . . . 63.53 110.491 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.608 ' SG ' HD13 ' A' ' 100' ' ' ILE . 90.7 m -60.43 -42.88 96.99 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.163 0.289 . . . . 65.02 110.83 177.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -65.44 -44.65 86.62 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.018 -0.734 . . . . 71.41 109.018 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -57.54 -37.57 73.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.604 1.162 . . . . 71.02 111.824 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -79.44 -20.93 46.25 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.662 0.785 . . . . 64.3 110.88 -176.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -81.99 -38.15 25.55 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 116.303 -0.408 . . . . 74.11 109.907 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -71.41 -37.86 71.48 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.513 0.725 . . . . 74.31 110.205 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 . . . . . 0 N--CA 1.469 0.479 0 C-N-CA 124.647 1.179 . . . . 74.33 107.844 179.236 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 CA--C 1.552 1.054 0 N-CA-C 107.17 -1.418 . . . . 70.23 107.17 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.92 143.54 45.51 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.107 1.872 . . . . 73.24 111.82 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.57 -26.72 38.07 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 123.209 2.606 . . . . 62.12 113.06 173.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -58.43 -52.51 65.33 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.426 1.09 . . . . 62.23 110.269 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.47 -28.35 63.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.045 0.938 . . . . 74.14 111.116 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -66.1 -39.38 89.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.546 0.738 . . . . 75.4 110.544 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.93 -29.26 60.91 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.494 0.718 . . . . 71.23 110.96 174.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -64.88 -39.86 94.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.866 0.866 . . . . 64.41 110.433 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.0 m -73.54 -6.25 45.29 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.983 0.913 . . . . 72.5 112.642 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -80.07 77.01 6.79 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.236 0.541 . . . . 74.21 109.984 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.4 m -137.37 175.44 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.933 0.893 . . . . 73.33 109.769 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -75.47 163.48 27.35 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.103 0.561 . . . . 72.13 111.112 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.424 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 56.7 tp60 -62.01 -48.4 88.66 Favored Pre-proline 0 CA--C 1.562 1.425 0 CA-C-O 118.252 -0.88 . . . . 63.51 111.418 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.437 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 31.4 Cg_exo -60.9 -40.82 49.94 Favored 'Trans proline' 0 C--N 1.401 3.332 0 C-N-CA 121.973 1.782 . . . . 43.55 111.928 173.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 26.6 m -60.47 -36.02 77.29 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.12 0.968 . . . . 75.02 111.549 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 mt -55.44 -46.3 76.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.422 0.689 . . . . 64.24 110.539 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' B' ' 89' ' ' PHE . 66.7 m-85 -70.8 -34.25 71.55 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.851 -0.613 . . . . 73.45 111.416 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 10.1 mm-40 -64.66 -33.96 77.16 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.011 0.524 . . . . 75.22 110.635 177.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.631 HD23 HG23 ' A' ' 50' ' ' ILE . 96.1 mt -69.16 -38.98 79.04 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.299 0.64 . . . . 74.42 110.512 175.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.46 -43.03 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.727 0.811 . . . . 53.0 110.526 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 91.8 mt -68.27 -40.01 82.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.487 0.715 . . . . 74.52 110.618 -177.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.32 66.95 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.401 0.68 . . . . 74.25 111.401 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.473 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.34 -34.7 68.24 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.281 0.632 . . . . 64.05 111.022 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -73.98 -37.4 64.46 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.678 0.791 . . . . 54.21 110.024 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -66.39 -40.4 89.63 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.884 0.874 . . . . 64.22 111.009 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.545 HD12 HG11 ' A' ' 54' ' ' VAL . 86.4 mt -95.91 -3.58 45.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.274 0.63 . . . . 74.13 111.632 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.54 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 2.9 t70 60.42 30.14 19.56 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.315 1.446 . . . . 72.33 111.825 175.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.608 HD13 ' SG ' ' A' ' 58' ' ' CYS . 46.1 mt -81.79 91.51 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 108.708 -0.849 . . . . 75.05 108.708 176.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -59.87 -42.62 91.77 Favored Pre-proline 0 CA--C 1.56 1.349 0 CA-C-N 114.517 -1.22 . . . . 73.13 112.436 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.7 -53.18 6.92 Favored 'Trans proline' 0 C--N 1.403 3.432 0 C-N-CA 122.633 2.222 . . . . 72.11 113.35 173.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.4 tm? -68.18 -39.21 82.59 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.042 0.537 . . . . 60.12 110.33 -176.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.594 HD21 HD21 ' B' ' 104' ' ' LEU . 59.9 tp -58.54 -47.49 84.02 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.79 0.836 . . . . 73.23 110.412 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.1 -50.85 60.16 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.089 0.868 . . . . 72.22 110.71 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.1 -47.79 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.526 0.73 . . . . 73.12 111.452 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.427 HG21 ' HB2' ' A' ' 91' ' ' LEU . 35.8 m -68.94 -42.35 76.86 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.712 0.405 . . . . 62.41 111.319 -177.161 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.1 m -65.71 -33.61 76.27 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.665 0.386 . . . . 73.14 111.11 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.42 -37.23 71.49 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.571 0.748 . . . . 75.55 110.017 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -61.83 -45.87 91.93 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.775 0.83 . . . . 74.54 111.015 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 107' ' ' THR . 42.1 t -65.77 -37.53 80.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.863 0 CA-C-N 115.914 -0.585 . . . . 74.52 109.914 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.22 -35.37 80.26 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.349 -0.842 . . . . 75.32 110.969 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.38 -33.16 75.22 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.73 0.812 . . . . 63.55 111.27 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 35.8 mtm -66.84 -38.01 85.57 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.737 -0.665 . . . . 64.13 110.965 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.4 pt -92.92 -8.74 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.856 0.463 . . . . 70.43 111.422 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.01 91.77 1.6 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.243 0.617 . . . . 74.44 110.794 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.186 0 CA-C-N 115.095 -0.957 . . . . 55.11 111.403 170.534 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.373 -0.232 . . . . 74.55 110.373 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.0 mt -90.74 122.55 33.59 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.743 0.817 . . . . 70.22 110.514 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 m -90.49 131.1 38.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 N-CA-C 108.7 -0.852 . . . . 73.24 108.7 167.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.49 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 96.5 mttt -85.82 94.69 9.21 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.569 0.748 . . . . 72.31 109.976 -174.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.415 HD13 HD13 ' B' ' 27' ' ' ILE . 81.4 mt -93.37 92.72 7.8 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.685 -0.487 . . . . 61.3 109.685 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.491 ' HA ' ' HA ' ' B' ' 13' ' ' VAL . 43.1 tt0 -75.97 135.8 40.03 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.669 -0.696 . . . . 74.42 109.702 175.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 63.1 p -83.17 175.64 9.8 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.574 0.75 . . . . 74.32 110.561 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 55.9 p -65.21 -23.39 67.07 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.267 0.627 . . . . 74.31 110.777 171.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -85.62 8.25 20.22 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.305 1.042 . . . . 64.34 111.171 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 71.01 7.33 6.18 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 125.061 1.344 . . . . 73.21 113.742 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -92.67 123.46 35.97 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.12 -0.696 . . . . 62.44 109.12 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' B' ' 7' ' ' GLU . 47.6 t -87.84 123.34 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.009 0.924 . . . . 51.23 110.229 -175.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -109.2 102.43 11.37 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.013 0.925 . . . . 74.13 108.76 175.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.49 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 37.6 mt-10 -81.79 94.94 7.14 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.3 0.64 . . . . 70.23 109.955 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 tp -104.5 152.17 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.061 -1.089 . . . . 52.51 108.061 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.11 143.19 57.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.995 -0.372 . . . . 71.42 109.995 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.37 -40.95 96.84 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.71 0.804 . . . . 73.12 110.841 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.46 -27.65 57.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.478 1.111 . . . . 73.44 112.115 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -81.69 -45.63 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.906 0.882 . . . . 75.03 109.722 175.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.26 -9.36 58.53 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.13 0.972 . . . . 74.02 112.617 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 95.4 m -71.16 -27.03 63.26 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.545 0.738 . . . . 74.32 111.545 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 50.2 mtm -66.71 -29.31 69.27 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.075 0.55 . . . . 71.42 110.19 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -71.41 103.02 2.78 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.121 -1.066 . . . . 70.44 108.121 167.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 88.3 t -59.89 -43.78 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.361 0.664 . . . . 75.41 111.099 -175.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.8 m -60.87 -51.37 69.57 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.337 0.655 . . . . 74.43 111.766 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.415 HD13 HD13 ' B' ' 6' ' ' LEU . 85.8 mt -64.83 -43.77 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 123.189 0.596 . . . . 63.0 110.848 -178.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -57.98 -48.33 80.31 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.017 0.823 . . . . 74.55 110.364 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -64.45 -32.21 73.74 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.812 0.845 . . . . 75.12 111.4 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 60.3 mtt -67.57 -43.3 80.96 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.985 0.514 . . . . 73.43 110.533 176.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.51 -45.54 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.473 0.709 . . . . 72.05 109.786 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -73.48 -26.33 60.86 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.025 0.93 . . . . 62.21 111.726 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.08 -41.54 77.38 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.49 0.716 . . . . 65.03 110.092 176.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.402 HG21 ' HB2' ' B' ' 37' ' ' SER . 61.7 mt -75.48 -26.15 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 CA-C-N 115.189 -0.914 . . . . 72.34 109.872 173.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.87 -77.07 0.9 Allowed Glycine 0 C--N 1.348 1.23 0 N-CA-C 109.865 -1.294 . . . . 65.35 109.865 -173.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -137.12 136.14 38.03 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.233 1.013 . . . . 72.45 108.598 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.402 ' HB2' HG21 ' B' ' 34' ' ' ILE . 31.5 t -147.79 109.24 4.35 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.253 0.621 . . . . 62.54 109.804 -176.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -84.81 -20.91 30.21 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.569 0.748 . . . . 74.31 110.396 174.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.3 p -63.9 140.37 97.83 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.51 0.724 . . . . 63.32 110.455 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -58.27 131.67 44.4 Favored 'Trans proline' 0 C--N 1.381 2.247 0 C-N-CA 122.709 2.273 . . . . 53.34 112.236 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -86.53 107.38 13.47 Favored Pre-proline 0 CA--C 1.554 1.102 0 N-CA-C 108.222 -1.029 . . . . 75.24 108.222 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -90.21 122.44 0.98 Allowed 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.568 2.179 . . . . 71.44 111.827 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -98.76 101.64 12.62 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 123.953 0.901 . . . . 62.4 108.611 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -84.58 51.26 3.19 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 123.14 2.56 . . . . 64.54 112.33 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -149.0 -56.47 0.2 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.728 0.811 . . . . 72.4 109.445 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -81.14 121.24 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 CA-C-N 116.1 -0.5 . . . . 71.12 110.242 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 80.4 p -74.62 170.63 15.4 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.768 0.827 . . . . 64.2 110.628 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 84.7 p -67.09 -40.65 86.99 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.993 0.517 . . . . 74.41 111.296 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 61.9 m -58.73 -41.48 86.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.142 0.977 . . . . 71.42 111.08 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.611 HG23 HD23 ' B' ' 91' ' ' LEU . 44.5 mm -80.66 -45.81 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 115.784 -0.643 . . . . 72.24 110.421 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 tp -62.41 -29.29 70.39 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.005 0.922 . . . . 73.11 111.226 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -52.1 -52.49 51.1 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.155 0.982 . . . . 72.04 110.147 171.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -77.56 -34.04 53.84 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.029 0.932 . . . . 72.03 112.567 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.568 HG11 HD12 ' B' ' 98' ' ' LEU . 54.1 t -59.6 -50.73 78.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 109.734 -0.469 . . . . 63.23 109.734 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 86.9 mt -75.0 -26.43 59.54 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.667 0.787 . . . . 74.43 111.784 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.79 -51.67 67.34 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.239 0.615 . . . . 74.35 110.491 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -67.69 -37.33 82.17 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 116.051 -0.522 . . . . 73.31 110.564 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.61 ' SG ' HD13 ' B' ' 100' ' ' ILE . 90.4 m -60.29 -42.82 96.27 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 123.072 0.232 . . . . 63.11 110.792 178.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -64.76 -45.2 87.38 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.045 -0.724 . . . . 72.43 109.045 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -57.83 -37.37 73.7 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.53 1.132 . . . . 64.13 111.71 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -79.36 -20.9 46.61 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.737 0.815 . . . . 74.12 110.854 -175.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -81.65 -38.79 25.37 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.817 -0.438 . . . . 64.44 109.817 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -71.39 -38.05 71.53 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.665 0.786 . . . . 60.52 110.015 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 . . . . . 0 N--CA 1.471 0.609 0 C-N-CA 124.914 1.286 . . . . 75.02 107.9 178.738 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 CA--C 1.551 0.991 0 N-CA-C 107.226 -1.398 . . . . 73.14 107.226 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.43 143.07 46.57 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.057 1.838 . . . . 72.12 111.728 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.01 -26.82 33.45 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.219 2.613 . . . . 73.43 112.879 172.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -58.53 -52.32 66.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.432 1.093 . . . . 65.03 110.5 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.45 -28.27 63.84 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.971 0.908 . . . . 71.45 111.343 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -65.83 -40.22 91.57 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.624 0.77 . . . . 75.31 110.634 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.04 -30.66 62.53 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.483 0.713 . . . . 74.1 110.808 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.96 -39.71 95.49 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.485 0.714 . . . . 74.44 110.493 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 71.9 m -73.86 -6.73 48.95 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.117 -0.947 . . . . 71.22 112.377 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -79.75 76.3 6.42 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.022 0.529 . . . . 75.4 110.093 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.3 m -137.08 173.64 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.967 0.907 . . . . 71.44 109.787 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.23 164.44 26.68 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.203 0.601 . . . . 71.11 110.89 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.419 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 54.1 tp60 -63.01 -48.35 84.72 Favored Pre-proline 0 CA--C 1.557 1.232 0 CA-C-O 118.229 -0.891 . . . . 72.31 111.571 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 32.3 Cg_exo -60.17 -40.99 55.2 Favored 'Trans proline' 0 C--N 1.403 3.399 0 C-N-CA 122.061 1.84 . . . . 72.03 111.988 173.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.7 m -61.09 -35.84 78.05 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.368 1.067 . . . . 71.44 111.549 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 37.4 mt -55.73 -46.39 77.8 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.358 0.663 . . . . 62.14 110.568 173.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' A' ' 89' ' ' PHE . 66.6 m-85 -70.58 -34.44 72.18 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.693 0.621 . . . . 70.32 111.376 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 17.2 mm-40 -64.07 -34.54 78.26 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.139 0.576 . . . . 72.52 110.803 177.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.611 HD23 HG23 ' B' ' 50' ' ' ILE . 96.1 mt -68.99 -38.82 79.53 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.404 0.681 . . . . 74.44 110.421 175.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 86.1 mt -65.62 -42.92 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 123.666 0.786 . . . . 63.21 110.524 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 90.5 mt -68.28 -40.24 81.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.487 0.715 . . . . 74.23 110.637 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.79 -32.29 67.48 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.54 0.736 . . . . 43.0 111.381 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.482 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -72.55 -34.08 67.27 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.339 0.656 . . . . 73.44 111.083 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -73.96 -38.95 64.05 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.657 0.783 . . . . 74.23 110.122 175.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.07 -40.91 95.35 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.106 0.962 . . . . 73.41 111.059 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.568 HD12 HG11 ' B' ' 54' ' ' VAL . 86.0 mt -95.58 -4.61 44.31 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.51 0.724 . . . . 74.35 111.623 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.54 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 1.8 t70 62.06 29.26 17.6 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 125.28 1.432 . . . . 44.43 111.734 174.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.61 HD13 ' SG ' ' B' ' 58' ' ' CYS . 45.5 mt -81.51 92.32 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 108.801 -0.814 . . . . 73.53 108.801 176.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -60.54 -42.53 88.85 Favored Pre-proline 0 CA--C 1.56 1.342 0 CA-C-N 114.654 -1.157 . . . . 64.1 112.477 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.06 -52.63 7.92 Favored 'Trans proline' 0 C--N 1.403 3.415 0 C-N-CA 122.605 2.204 . . . . 75.53 113.353 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.4 tm? -68.37 -39.67 81.69 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 122.965 0.506 . . . . 53.22 110.301 -176.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.594 HD21 HD21 ' A' ' 104' ' ' LEU . 59.3 tp -58.06 -47.51 82.94 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.834 0.853 . . . . 73.04 110.527 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -67.2 -50.82 59.46 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 124.103 0.877 . . . . 71.13 110.73 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.13 -48.05 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.539 0.736 . . . . 70.2 111.394 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.425 HG21 ' HB2' ' B' ' 91' ' ' LEU . 36.1 m -68.59 -42.57 78.02 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 122.723 0.409 . . . . 73.01 111.361 -176.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 94.2 m -65.32 -34.15 77.66 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.742 0.417 . . . . 74.44 111.089 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.1 -36.47 72.2 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.616 0.767 . . . . 62.53 110.234 175.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 99.8 m -62.59 -46.0 90.34 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.698 0.799 . . . . 60.51 110.896 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 107' ' ' THR . 42.7 t -65.56 -36.98 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 123.142 0.577 . . . . 71.21 110.055 177.172 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.84 81.2 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.289 -0.869 . . . . 64.03 110.924 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -64.55 -32.45 74.11 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.554 0.742 . . . . 72.42 111.185 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 34.9 mtm -67.49 -38.35 84.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.944 -0.571 . . . . 74.43 110.782 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.2 pt -91.42 -10.24 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 122.81 0.444 . . . . 61.21 111.468 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.918 0 C-N-CA 123.092 0.557 . . . . 73.32 110.847 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.2 mt . . . . . 0 CA--C 1.539 0.556 0 N-CA-C 110.342 -0.244 . . . . 61.43 110.342 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.6 m -70.32 111.37 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 108.458 -0.941 . . . . 75.4 108.458 168.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.538 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 93.4 mttt -81.75 81.57 7.74 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.964 -1.016 . . . . 70.42 109.481 -174.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.416 HD23 ' HB ' ' A' ' 41' ' ' ILE . 85.8 mt -79.06 84.84 5.02 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 114.618 -1.173 . . . . 73.21 110.205 -176.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 42.8 tt0 -75.27 118.93 18.72 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.126 -0.943 . . . . 63.53 108.978 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 p -67.45 175.52 2.76 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.724 0.81 . . . . 41.43 111.748 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 p -65.41 -25.1 67.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.416 0.686 . . . . 64.03 110.738 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.05 0.37 32.14 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.246 1.018 . . . . 72.32 111.187 175.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 73.39 10.7 4.99 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.133 1.373 . . . . 73.34 113.164 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -84.54 123.21 30.04 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.474 -0.565 . . . . 72.54 109.474 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 40.6 t -88.2 109.08 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 123.784 0.834 . . . . 74.23 110.375 -172.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -92.23 90.89 7.48 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.584 0.754 . . . . 75.53 109.521 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 35.5 mt-10 -77.58 86.13 3.92 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.924 -1.034 . . . . 64.42 109.106 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.446 HD11 HG21 ' A' ' 20' ' ' ILE . 17.7 tt -110.74 152.6 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 115.066 -0.97 . . . . 73.4 108.854 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HB2' HG13 ' A' ' 20' ' ' ILE . 38.2 mt-10 -61.7 137.39 58.24 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.944 0.498 . . . . 63.41 110.36 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -65.69 -31.35 72.31 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.399 0.437 . . . . 64.33 110.868 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.85 -23.98 67.57 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.563 0.745 . . . . 61.53 112.152 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.539 HG13 ' HB2' ' A' ' 17' ' ' GLU . 46.2 mt -80.16 -44.05 22.38 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 121.41 0.624 . . . . 74.41 109.39 172.058 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.62 8.31 4.55 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.243 1.017 . . . . 53.54 112.625 -178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.0 m -75.26 -28.03 59.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.183 0.593 . . . . 74.1 110.978 168.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.47 -25.3 65.82 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.037 0.535 . . . . 74.01 110.224 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.0 m -73.39 101.8 3.57 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.345 -0.843 . . . . 63.12 108.828 163.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.455 HG13 ' HE3' ' A' ' 28' ' ' LYS . 97.6 t -67.12 -34.86 72.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 116.011 -0.54 . . . . 73.35 110.241 176.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.1 m -64.02 -48.22 77.2 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.646 0.378 . . . . 75.22 110.679 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.81 -48.36 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 123.576 0.547 . . . . 74.41 110.54 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.556 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 17.2 pttp -60.12 -43.51 95.58 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 123.626 0.579 . . . . 61.35 109.667 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -58.86 -44.77 91.09 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 123.627 0.771 . . . . 72.4 111.061 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 71.5 mtm -60.55 -43.01 97.72 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 124.123 0.889 . . . . 74.41 110.573 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.5 mt -66.44 -32.88 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.634 0.774 . . . . 64.23 110.653 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 47.0 mt-10 -76.26 -33.93 59.16 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.327 0.651 . . . . 72.45 111.202 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -71.52 -44.18 65.1 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.188 0.518 . . . . 73.15 110.241 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.9 mt -71.58 -30.33 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.035 -0.984 . . . . 70.23 109.823 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.51 -60.09 1.84 Allowed Glycine 0 C--N 1.343 0.924 0 N-CA-C 110.901 -0.88 . . . . 75.43 110.901 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -136.29 98.09 3.76 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.158 0.983 . . . . 73.11 109.458 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.601 ' HB3' HD11 ' A' ' 41' ' ' ILE . 44.0 m -95.45 68.59 2.99 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.61 0.764 . . . . 74.11 110.043 177.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.11 -28.2 62.13 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.503 -0.771 . . . . 72.13 110.458 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.7 m -65.38 150.48 95.74 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 124.189 0.996 . . . . 45.41 111.714 176.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.26 130.3 35.42 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 122.882 2.388 . . . . 63.11 111.369 175.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.601 HD11 ' HB3' ' A' ' 37' ' ' SER . 50.7 mm -91.4 107.94 25.33 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 123.412 0.685 . . . . 61.03 109.69 -177.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.46 142.54 21.02 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 121.831 1.688 . . . . 64.42 110.98 173.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -123.59 84.71 53.14 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 106.88 -1.526 . . . . 43.1 106.88 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -83.48 52.34 3.83 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 123.55 2.833 . . . . 75.21 112.595 -170.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -149.5 -58.32 0.2 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.482 1.113 . . . . 61.03 108.549 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -84.15 129.02 38.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 115.397 -0.82 . . . . 64.11 110.695 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.8 p -77.37 171.08 15.44 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.296 1.038 . . . . 72.32 110.789 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.2 p -69.59 -41.94 75.11 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.565 0.346 . . . . 70.24 111.852 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.6 m -57.57 -43.79 84.83 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.045 0.938 . . . . 62.31 111.011 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.501 HG23 HD23 ' A' ' 91' ' ' LEU . 48.1 mm -79.91 -44.99 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.151 -0.931 . . . . 71.23 110.453 -174.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.4 -30.08 70.86 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.313 0.645 . . . . 73.24 110.774 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.33 -48.96 79.49 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.405 0.682 . . . . 72.11 109.621 175.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.611 ' HD2' HD21 ' A' ' 91' ' ' LEU . 58.5 mttm -61.71 -51.94 66.31 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.107 0.879 . . . . 62.42 111.163 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 50' ' ' ILE . 48.3 t -61.2 -45.48 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-N 115.516 -0.766 . . . . 73.42 110.544 -173.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' HB3' HD12 ' A' ' 16' ' ' ILE . 73.5 mt -74.06 -29.11 61.73 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.294 0.638 . . . . 72.14 112.413 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -72.59 -36.8 68.23 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.694 0.398 . . . . 73.04 110.206 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -71.36 -36.55 71.52 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.027 -0.533 . . . . 75.42 110.038 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.654 ' SG ' HD13 ' A' ' 100' ' ' ILE . 98.8 m -61.39 -40.48 94.51 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.493 0.496 . . . . 54.1 110.615 174.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 48.5 ttp180 -61.6 -46.96 87.64 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.626 -0.715 . . . . 74.0 110.022 176.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -59.17 -43.48 92.12 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.158 0.983 . . . . 73.23 111.885 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -74.62 -21.01 59.68 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.886 0.874 . . . . 74.32 110.878 -178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.41 ' CG ' HG12 ' A' ' 20' ' ' ILE . 75.6 t60 -80.61 -36.03 33.29 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 110.053 -0.351 . . . . 71.42 110.053 174.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 65.5 mt-30 -70.93 -34.43 71.49 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.802 0.841 . . . . 73.03 110.301 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 CA--C 1.549 0.906 0 C-N-CA 124.207 1.003 . . . . 75.23 109.415 177.471 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.8 mm . . . . . 0 CA--C 1.556 1.18 0 N-CA-C 110.562 -0.162 . . . . 72.12 110.562 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -58.53 153.76 46.39 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.815 2.343 . . . . 55.4 112.602 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -51.8 -48.36 21.84 Favored 'Trans proline' 0 C--N 1.38 2.208 0 C-N-CA 123.999 3.133 . . . . 71.53 113.104 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -54.14 -50.95 65.79 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.766 0.666 . . . . 74.53 111.247 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.67 -32.97 74.13 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.07 0.856 . . . . 72.11 111.431 -173.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 52.7 ttp180 -74.78 -55.09 6.21 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.321 -0.4 . . . . 71.14 110.177 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.3 -33.07 67.3 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 123.999 0.919 . . . . 71.34 111.622 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -61.29 -51.67 67.91 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.494 1.117 . . . . 75.1 110.292 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 81.8 m -76.58 -13.55 60.07 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.433 -0.803 . . . . 44.24 111.663 -175.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 78' ' ' ARG . 31.8 mmmt -75.17 84.69 2.38 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.106 -0.702 . . . . 65.04 109.106 172.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -125.37 171.13 14.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 124.64 1.176 . . . . 73.53 109.386 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.83 167.03 21.78 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.37 0.668 . . . . 74.1 110.384 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 55.7 tp60 -59.56 -51.28 82.28 Favored Pre-proline 0 CA--C 1.567 1.623 0 N-CA-C 113.391 0.886 . . . . 73.25 113.391 -169.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 23.9 Cg_exo -65.29 -32.98 50.07 Favored 'Trans proline' 0 C--N 1.391 2.808 0 C-N-CA 121.998 1.799 . . . . 65.5 112.075 174.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.6 m -66.04 -32.43 73.89 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.954 0.902 . . . . 71.33 111.213 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 85' ' ' GLN . 79.2 mt -56.33 -49.67 73.65 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.963 0.905 . . . . 72.03 109.729 172.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -69.48 -34.33 74.18 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.091 -0.958 . . . . 74.45 111.443 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -61.32 -40.75 95.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.081 0.553 . . . . 65.11 111.202 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.611 HD21 ' HD2' ' A' ' 53' ' ' LYS . 83.7 mt -73.47 -32.89 64.57 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.58 0.752 . . . . 73.42 111.437 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.95 -43.94 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 123.373 0.669 . . . . 61.24 109.794 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.4 -40.2 77.49 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.746 0.818 . . . . 65.12 110.901 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.86 76.51 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.863 0.865 . . . . 33.13 111.719 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.558 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -68.36 -40.38 81.48 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.381 -0.827 . . . . 75.31 111.008 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -70.37 -32.72 70.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.225 0.61 . . . . 72.33 110.385 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -62.45 -44.0 97.47 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.253 1.021 . . . . 74.35 111.178 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.7 mt -98.61 -4.73 33.31 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.944 0.497 . . . . 63.0 111.887 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.9 t0 51.58 50.17 19.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.185 1.394 . . . . 70.44 111.593 -173.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.654 HD13 ' SG ' ' A' ' 58' ' ' CYS . 58.6 mt -88.05 91.7 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 114.595 -1.184 . . . . 62.14 108.215 171.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 102' ' ' PRO . 53.4 mttm -62.5 -43.04 83.17 Favored Pre-proline 0 CA--C 1.557 1.249 0 CA-C-N 114.35 -1.296 . . . . 74.33 112.997 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 9.6 Cg_endo -52.49 -41.37 68.16 Favored 'Trans proline' 0 C--N 1.4 3.282 0 C-N-CA 122.363 2.042 . . . . 53.12 113.469 174.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.558 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.6 tm? -81.06 -42.0 21.72 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.674 0.39 . . . . 73.24 110.106 -178.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.656 HD21 HD21 ' B' ' 104' ' ' LEU . 48.7 tp -58.5 -48.62 80.21 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.813 0.845 . . . . 74.31 110.888 -176.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.52 -51.7 68.34 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.316 1.01 . . . . 71.03 110.407 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.98 -40.82 90.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 115.674 -0.694 . . . . 74.22 111.865 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -70.3 -36.2 74.18 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 120.918 0.39 . . . . 65.11 110.976 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 71.3 m -69.62 -29.25 66.71 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.181 0.592 . . . . 73.35 110.697 174.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.64 -31.5 59.85 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.249 0.62 . . . . 72.01 110.597 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.5 m -65.67 -45.75 81.72 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.473 0.709 . . . . 65.52 110.936 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -68.7 -32.15 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 116.216 -0.447 . . . . 52.42 110.322 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.63 -25.21 62.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.294 0.638 . . . . 50.54 111.592 173.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HA ' ' HB2' ' A' ' 116' ' ' ARG . 14.3 m-80 -67.73 -26.6 66.22 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.799 0.44 . . . . 74.15 111.025 176.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 69.3 mtm -72.6 -29.05 63.17 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.845 0.458 . . . . 75.15 111.108 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 37.5 pt -101.88 -1.92 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.507 0.723 . . . . 63.33 111.62 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.48 ' HB2' ' HA ' ' A' ' 113' ' ' ASN . 32.2 tpt180 -59.41 99.86 0.07 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.191 0.997 . . . . 52.31 111.212 -176.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.814 -0.992 . . . . 53.41 112.145 176.058 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.026 0.441 . . . . 71.44 110.477 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -99.1 119.08 37.25 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.27 -0.877 . . . . 74.4 110.354 -174.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.5 m -70.01 110.99 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.485 -0.932 . . . . 73.25 108.485 168.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.547 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 92.6 mttt -81.38 81.84 7.4 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.876 -1.056 . . . . 74.45 109.3 -174.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.0 mt -79.42 84.99 5.25 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 114.728 -1.123 . . . . 64.23 110.19 -176.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' B' ' 13' ' ' VAL . 39.9 tt0 -75.55 119.15 19.21 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.245 -0.889 . . . . 50.13 108.97 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.9 p -67.8 174.4 3.67 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.845 0.858 . . . . 61.33 111.597 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.8 p -64.52 -25.67 68.09 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.537 0.735 . . . . 63.25 110.794 172.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.73 -1.3 33.9 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.363 1.065 . . . . 75.22 111.478 175.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 74.7 11.92 3.78 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.293 1.437 . . . . 74.43 113.142 173.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -85.75 123.7 31.42 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.488 -0.56 . . . . 65.25 109.488 172.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.472 ' HA ' ' HA ' ' B' ' 7' ' ' GLU . 40.1 t -88.36 109.34 19.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.047 0.939 . . . . 60.21 110.193 -172.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -92.49 91.61 7.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.385 0.674 . . . . 74.43 109.443 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.547 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.1 mt-10 -78.56 84.98 4.65 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.177 -0.92 . . . . 73.42 109.541 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.455 HD11 HG21 ' B' ' 20' ' ' ILE . 17.6 tt -109.91 152.19 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.072 0.949 . . . . 73.45 108.924 -176.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.518 ' HB2' HG13 ' B' ' 20' ' ' ILE . 40.5 mt-10 -61.61 136.81 58.15 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.901 0.48 . . . . 63.43 110.289 -178.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -65.19 -30.87 71.81 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 123.468 0.48 . . . . 70.43 110.826 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.93 -22.99 67.17 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.387 0.675 . . . . 62.12 112.246 176.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.518 HG13 ' HB2' ' B' ' 17' ' ' GLU . 46.8 mt -80.53 -43.71 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.376 0.67 . . . . 73.35 109.526 171.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.03 8.22 5.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.235 1.014 . . . . 60.54 112.438 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.2 m -74.82 -29.79 61.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.073 0.549 . . . . 74.22 110.808 168.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 71.0 mtm -65.8 -25.7 67.36 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 122.994 0.517 . . . . 74.25 110.407 173.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 72.4 m -72.99 101.68 3.29 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 108.855 -0.794 . . . . 74.05 108.855 163.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.463 HG13 ' HE3' ' B' ' 28' ' ' LYS . 91.7 t -67.44 -33.95 65.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 116.064 -0.516 . . . . 72.4 110.074 176.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -64.39 -48.5 75.21 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.612 0.365 . . . . 51.2 110.606 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.97 -48.28 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.048 0.539 . . . . 74.12 110.472 -177.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' B' ' 32' ' ' GLU . 16.7 pttp -59.97 -43.58 95.01 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 123.587 0.554 . . . . 73.32 109.844 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.49 -44.53 93.04 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.577 0.751 . . . . 72.32 110.944 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 72.0 mtm -60.25 -42.68 95.83 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.005 0.816 . . . . 64.13 110.32 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.09 -33.49 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.491 0.716 . . . . 74.24 110.665 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 47.5 mt-10 -74.91 -33.88 62.08 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.316 0.646 . . . . 72.53 111.009 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -72.43 -43.19 64.18 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.233 0.613 . . . . 72.01 110.722 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 80.2 mt -72.98 -28.69 27.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 115.034 -0.984 . . . . 42.14 109.868 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.44 -59.33 2.61 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.671 -0.695 . . . . 73.24 111.412 -176.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -135.93 96.73 3.47 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.962 0.905 . . . . 73.2 109.428 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.591 ' HB3' HD11 ' B' ' 41' ' ' ILE . 30.6 m -94.78 73.01 3.59 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.342 0.592 . . . . 70.42 109.815 176.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.38 -28.72 56.86 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.161 -0.927 . . . . 74.45 110.35 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.9 m -66.52 149.45 98.08 Favored Pre-proline 0 CA--C 1.558 1.27 0 C-N-CA 123.999 0.919 . . . . 74.11 111.46 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.57 131.01 39.98 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.926 2.417 . . . . 71.43 111.012 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' B' ' 37' ' ' SER . 50.4 mm -91.7 107.77 24.74 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 123.3 0.64 . . . . 75.1 109.503 -176.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.97 142.28 21.95 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 121.784 1.656 . . . . 74.52 110.975 174.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.7 mt -123.64 85.63 53.03 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 106.971 -1.492 . . . . 73.23 106.971 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -83.83 49.85 2.98 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 123.651 2.901 . . . . 72.24 112.722 -170.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -147.07 -58.75 0.27 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.586 1.154 . . . . 75.43 108.857 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.65 128.64 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 115.235 -0.893 . . . . 70.11 110.653 -177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 82.5 p -76.83 171.57 14.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.189 0.996 . . . . 64.11 110.603 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.5 p -69.64 -43.48 72.54 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.766 0.426 . . . . 73.23 111.838 -175.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 91.3 m -56.83 -42.71 80.11 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.116 0.967 . . . . 74.4 111.248 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.501 HG23 HD23 ' B' ' 91' ' ' LEU . 48.0 mm -80.47 -45.18 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-N 115.126 -0.943 . . . . 44.11 110.528 -174.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.3 tp -65.16 -30.23 71.13 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.384 0.674 . . . . 75.34 110.83 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -60.01 -48.43 81.73 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.513 0.725 . . . . 43.54 109.733 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.6 ' HD2' HD21 ' B' ' 91' ' ' LEU . 58.0 mttm -62.13 -52.08 65.28 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 124.157 0.911 . . . . 72.14 111.208 -179.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 50' ' ' ILE . 48.2 t -61.32 -45.12 99.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.284 -0.871 . . . . 74.41 110.437 -172.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 70.6 mt -74.37 -29.38 61.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.33 0.652 . . . . 74.12 112.438 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -73.28 -36.24 66.29 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.925 0.393 . . . . 72.31 110.425 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -70.87 -36.6 72.86 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.927 -0.579 . . . . 73.55 109.928 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.659 ' SG ' HD13 ' B' ' 100' ' ' ILE . 99.8 m -61.56 -40.39 94.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.883 0.473 . . . . 64.3 110.663 174.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -62.0 -46.03 90.99 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.485 0.714 . . . . 63.0 110.308 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -59.98 -42.86 95.11 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.148 0.979 . . . . 72.54 111.675 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -75.53 -21.25 58.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.703 0.801 . . . . 62.34 110.875 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' HIS . . . . . 0.417 ' CG ' HG12 ' B' ' 20' ' ' ILE . 75.9 t60 -80.48 -35.04 35.33 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.826 -0.435 . . . . 74.24 109.826 174.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.57 -36.59 73.69 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.94 0.896 . . . . 73.42 110.795 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 CA--C 1.547 0.828 0 C-N-CA 124.171 0.988 . . . . 71.21 108.977 177.687 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.1 mm . . . . . 0 CA--C 1.556 1.185 0 N-CA-C 110.698 -0.112 . . . . 54.53 110.698 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -58.63 152.53 55.23 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.934 2.423 . . . . 75.24 112.714 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.81 -47.24 27.43 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 123.944 3.096 . . . . 42.1 113.111 -176.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -54.67 -51.53 65.19 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.804 0.69 . . . . 73.24 111.276 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.09 -33.42 74.4 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 124.104 0.877 . . . . 73.52 111.288 -173.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 52.3 ttp180 -74.32 -55.1 6.4 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.26 -0.427 . . . . 74.25 110.196 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.71 -31.85 68.64 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.762 0.825 . . . . 74.34 111.721 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.29 -51.48 68.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.208 1.003 . . . . 62.44 110.333 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 83.8 m -76.74 -13.04 60.07 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.643 -0.708 . . . . 63.33 111.796 -175.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 78' ' ' ARG . 31.9 mmmt -74.91 85.53 2.24 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 109.159 -0.682 . . . . 75.33 109.159 171.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 29.1 m -126.75 168.68 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.746 1.218 . . . . 74.55 109.729 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.47 166.52 20.29 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.114 0.565 . . . . 74.01 110.816 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.466 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 51.6 tp60 -58.3 -52.47 74.37 Favored Pre-proline 0 N--CA 1.49 1.548 0 N-CA-C 113.673 0.99 . . . . 64.04 113.673 -169.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.466 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 22.8 Cg_exo -65.34 -32.48 50.62 Favored 'Trans proline' 0 C--N 1.387 2.585 0 C-N-CA 121.94 1.76 . . . . 61.42 111.968 175.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 8.0 m -65.39 -32.9 74.78 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.771 0.828 . . . . 73.01 111.248 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 85' ' ' GLN . 78.5 mt -56.0 -49.26 74.14 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.033 0.933 . . . . 71.1 109.825 172.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -69.62 -34.91 74.75 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.082 -0.963 . . . . 53.11 111.573 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -61.03 -40.6 94.21 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.154 0.582 . . . . 62.31 111.007 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.6 HD21 ' HD2' ' B' ' 53' ' ' LYS . 84.6 mt -73.21 -33.23 65.25 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.462 0.705 . . . . 73.34 111.522 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.72 -44.06 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.335 0.654 . . . . 74.42 109.933 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.53 -39.87 77.26 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.718 0.807 . . . . 64.4 110.859 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.85 -39.21 76.52 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.824 0.849 . . . . 73.53 111.685 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.555 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -68.31 -40.41 81.71 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.474 -0.784 . . . . 71.43 111.003 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.27 -32.22 69.94 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.111 0.564 . . . . 72.41 110.459 176.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -62.33 -44.6 96.12 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.201 1.0 . . . . 74.21 111.213 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.9 mt -98.3 -4.76 34.4 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.948 0.499 . . . . 51.34 112.004 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 24.7 t0 51.93 49.89 19.76 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.104 1.362 . . . . 61.11 111.608 -173.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.659 HD13 ' SG ' ' B' ' 58' ' ' CYS . 58.9 mt -88.2 91.79 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 114.565 -1.198 . . . . 71.55 108.225 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' B' ' 102' ' ' PRO . 53.1 mttm -62.13 -43.49 86.2 Favored Pre-proline 0 CA--C 1.559 1.319 0 CA-C-N 114.174 -1.376 . . . . 74.12 113.021 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 102' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' B' ' 101' ' ' LYS . 9.3 Cg_endo -52.43 -41.42 67.38 Favored 'Trans proline' 0 C--N 1.401 3.308 0 C-N-CA 122.378 2.052 . . . . 73.44 113.435 174.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.6 tm? -80.84 -41.74 22.71 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 110.103 -0.332 . . . . 74.3 110.103 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 104' ' ' LEU . 48.7 tp -58.76 -48.2 82.02 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.87 0.868 . . . . 64.31 110.831 -176.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.58 -51.51 68.23 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 124.417 1.073 . . . . 72.34 110.42 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 80.5 t -62.57 -41.03 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 C-N-CA 123.298 0.639 . . . . 71.24 111.936 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 29.0 m -70.05 -36.05 74.7 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 120.961 0.41 . . . . 53.44 111.158 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 71.0 m -69.57 -29.41 66.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.883 -0.598 . . . . 63.05 110.742 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.9 -31.49 59.21 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.237 0.615 . . . . 72.24 110.589 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 92.0 m -65.94 -45.39 81.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.472 0.709 . . . . 74.3 111.097 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -68.61 -31.91 52.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 116.299 -0.41 . . . . 72.44 110.457 175.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.19 -24.97 62.33 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.403 0.681 . . . . 70.3 111.501 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' ASN . . . . . 0.444 ' HA ' ' HB2' ' B' ' 116' ' ' ARG . 13.1 m-80 -67.81 -25.72 65.71 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.004 0.522 . . . . 63.23 111.25 176.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 70.7 mtm -73.08 -30.06 63.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.953 0.501 . . . . 70.35 110.988 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 37.3 pt -101.96 -1.51 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 C-N-CA 123.613 0.765 . . . . 73.22 111.721 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' ARG . . . . . 0.444 ' HB2' ' HA ' ' B' ' 113' ' ' ASN . 31.7 tpt180 . . . . . 0 N--CA 1.485 1.318 0 C-N-CA 124.282 1.033 . . . . 74.2 111.307 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.426 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 53.4 mt . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 120.407 0.146 . . . . 72.24 110.92 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -99.26 148.31 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 108.25 -1.018 . . . . 71.52 108.25 166.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.574 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 95.9 mttt -95.02 132.78 39.51 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 122.824 0.45 . . . . 74.02 110.94 -171.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -122.54 107.36 11.92 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.93 0.892 . . . . 75.12 109.534 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.409 ' HG3' HG22 ' A' ' 13' ' ' VAL . 4.3 mt-10 -83.64 119.67 25.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.385 -0.598 . . . . 63.24 109.385 175.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 p -74.38 -177.19 2.96 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.419 0.688 . . . . 70.41 111.173 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -60.99 -22.56 64.63 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.407 0.683 . . . . 72.41 111.708 173.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -95.2 12.03 30.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.959 0.904 . . . . 72.1 111.436 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 66.1 16.1 10.32 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.198 0.999 . . . . 72.15 112.256 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -82.04 121.76 26.96 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 123.169 0.587 . . . . 64.12 109.682 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.426 HG13 ' HB3' ' A' ' 5' ' ' LYS . 68.1 t -83.13 94.66 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.061 0.945 . . . . 63.11 110.21 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -84.2 93.31 8.15 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.359 -0.608 . . . . 72.42 109.359 172.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 44.7 mt-10 -71.78 93.81 1.33 Allowed 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.346 -0.983 . . . . 74.34 108.346 174.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 55' ' ' LEU . 10.4 tp -98.31 152.92 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 115.231 -0.895 . . . . 75.22 109.416 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -61.44 141.52 57.61 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 120.995 0.426 . . . . 55.32 110.793 174.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HE3' HD13 ' A' ' 31' ' ' ILE . 22.5 tptm -61.43 -39.17 89.79 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.636 -1.165 . . . . 75.44 110.952 -176.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.16 -39.5 90.33 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 123.871 0.732 . . . . 73.34 110.795 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.533 HG23 ' HB3' ' A' ' 58' ' ' CYS . 76.1 mt -68.0 -44.1 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.245 1.018 . . . . 73.22 110.448 178.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.63 -25.7 66.72 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.254 -0.884 . . . . 62.14 111.57 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.5 m -75.45 -35.97 60.8 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.568 0.747 . . . . 71.13 111.175 172.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 42.5 mtm -62.36 -34.44 76.67 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.323 0.582 . . . . 72.35 110.291 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.468 ' HA ' HG12 ' A' ' 100' ' ' ILE . 34.2 t -72.44 104.22 3.72 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.748 -1.115 . . . . 70.31 108.233 169.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 57.5 t -63.31 -40.35 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.118 0.567 . . . . 75.25 111.703 -171.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.1 m -63.69 -46.69 84.34 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.569 0.748 . . . . 73.35 112.242 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.97 -42.03 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 109.827 -0.434 . . . . 75.45 109.827 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -55.58 -44.42 76.9 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.028 0.931 . . . . 71.55 110.827 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -64.76 -38.48 91.12 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.469 0.708 . . . . 74.12 111.008 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -46.4 90.78 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.289 0.635 . . . . 74.12 110.248 176.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.414 HD13 ' HE3' ' A' ' 18' ' ' LYS . 95.1 mt -59.97 -49.8 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 124.006 0.816 . . . . 74.2 110.161 178.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.71 -35.1 79.79 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.805 0.842 . . . . 75.54 111.928 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.53 -38.23 65.34 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.614 0.765 . . . . 52.14 110.967 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.7 mt -83.37 -6.02 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 CA-C-N 115.663 -0.698 . . . . 63.21 109.838 174.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.96 -58.75 1.04 Allowed Glycine 0 C--N 1.349 1.254 0 N-CA-C 111.061 -0.816 . . . . 70.45 111.061 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -167.98 137.82 2.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.5 1.12 . . . . 65.25 108.659 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.6 m -147.77 115.51 6.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.889 0.475 . . . . 62.44 110.884 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -95.55 -13.25 24.61 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.887 0.875 . . . . 73.44 110.004 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 p -56.94 158.66 8.66 Favored Pre-proline 0 CA--C 1.561 1.394 0 C-N-CA 125.858 1.663 . . . . 62.3 112.817 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.49 93.72 0.12 Allowed 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.358 2.039 . . . . 44.32 112.451 176.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.4 mm -71.62 111.36 10.08 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.833 0.853 . . . . 74.51 109.347 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -77.49 127.25 8.83 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.18 1.92 . . . . 75.01 111.99 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.9 mt -118.04 86.43 25.94 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 125.25 1.42 . . . . 72.12 108.165 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.99 -26.87 18.01 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 122.976 2.451 . . . . 63.35 114.128 -171.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -86.07 14.99 5.46 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.188 0.595 . . . . 75.31 112.307 -173.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 p -145.55 131.21 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 123.148 0.579 . . . . 61.1 109.565 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.5 p -75.63 166.65 23.24 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.192 0.597 . . . . 72.41 110.392 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.0 p -63.47 -38.83 92.65 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.329 0.652 . . . . 44.22 111.744 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.8 p -64.38 -47.36 79.54 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.705 0.802 . . . . 75.34 111.951 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.408 HG23 HD23 ' A' ' 91' ' ' LEU . 48.9 mm -71.6 -46.0 64.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.069 0.548 . . . . 73.52 109.754 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.2 -36.71 78.26 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.618 0.767 . . . . 74.01 111.136 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -56.06 -50.23 71.57 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 124.08 0.862 . . . . 65.03 109.907 176.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -70.93 -36.98 72.86 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.488 1.117 . . . . 73.53 112.197 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.444 HG13 HD13 ' A' ' 103' ' ' LEU . 79.6 t -64.25 -42.62 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 122.927 0.491 . . . . 72.4 110.017 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 97.5 mt -73.8 -32.31 63.69 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.582 -0.736 . . . . 63.43 111.095 176.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.54 -44.26 82.88 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.682 1.193 . . . . 60.15 111.551 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.452 ' OH ' HG21 ' A' ' 106' ' ' VAL . 84.3 t80 -60.59 -42.41 96.66 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.278 0.631 . . . . 72.24 110.309 174.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.533 ' HB3' HG23 ' A' ' 20' ' ' ILE . 72.4 m -67.78 -28.43 67.59 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 115.243 -0.89 . . . . 75.51 111.87 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 52.4 mtt180 -59.31 -40.1 85.15 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.208 0.603 . . . . 65.4 110.692 171.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -59.71 -36.42 76.5 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.685 0.794 . . . . 74.42 111.196 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -78.88 -19.84 50.94 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.28 0.632 . . . . 63.45 111.96 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -82.43 -46.19 13.81 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.91 0.484 . . . . 73.3 110.829 174.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -76.21 -31.01 58.21 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.713 0.805 . . . . 73.21 110.682 -177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 108.061 -1.089 . . . . 75.53 108.061 175.09 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.5 mm . . . . . 0 CA--C 1.55 0.975 0 N-CA-C 108.782 -0.822 . . . . 45.12 108.782 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -73.7 146.29 38.25 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.38 2.054 . . . . 60.14 111.031 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -48.5 -36.84 32.34 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 123.145 2.563 . . . . 50.24 113.762 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.22 -56.66 18.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.274 1.03 . . . . 64.01 111.24 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.38 -28.41 62.01 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.376 1.071 . . . . 64.04 110.527 -174.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -66.89 -41.84 86.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.094 0.958 . . . . 72.43 110.489 175.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -77.19 -24.49 51.37 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.918 0.487 . . . . 73.24 111.33 177.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.76 -36.28 82.56 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.091 0.556 . . . . 65.44 110.212 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 73.2 m -69.66 -8.88 51.45 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.173 -0.921 . . . . 54.44 112.448 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -70.99 88.51 0.76 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-O 121.41 0.624 . . . . 72.33 109.642 170.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.493 HG11 HD11 ' A' ' 91' ' ' LEU . 3.0 m -139.95 145.35 26.6 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 C-N-CA 125.001 1.32 . . . . 74.24 108.857 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -66.53 158.9 28.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.868 0.867 . . . . 51.03 109.591 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -52.86 -50.69 80.02 Favored Pre-proline 0 CA--C 1.573 1.828 0 CA-C-O 118.419 -0.8 . . . . 75.13 112.887 -169.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.02 -32.29 84.06 Favored 'Trans proline' 0 C--N 1.39 2.734 0 C-N-CA 122.033 1.822 . . . . 73.41 113.377 171.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.4 m -68.16 -28.53 67.37 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.757 0.823 . . . . 65.12 112.028 -175.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.01 -46.45 75.22 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.914 -0.402 . . . . 54.25 109.914 169.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.43 ' HE1' ' HE1' ' B' ' 89' ' ' PHE . 42.5 m-85 -69.34 -31.47 69.94 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.484 0.714 . . . . 73.44 111.544 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -64.77 -36.02 82.97 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.811 0.444 . . . . 70.02 110.81 176.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.493 HD11 HG11 ' A' ' 83' ' ' VAL . 71.4 mt -71.06 -38.82 72.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.215 0.606 . . . . 75.3 110.921 174.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.43 -43.45 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 C-N-CA 123.314 0.645 . . . . 72.55 110.628 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.11 -41.36 90.67 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.858 0.863 . . . . 72.05 110.845 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.58 -32.51 62.41 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.42 0.688 . . . . 52.21 111.749 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.512 ' HB2' HD22 ' A' ' 103' ' ' LEU . . . -73.32 -34.7 65.82 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.991 0.516 . . . . 70.35 110.976 177.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -76.54 -35.8 58.04 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.337 0.655 . . . . 74.22 110.133 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -64.93 -45.7 84.7 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.585 0.754 . . . . 70.5 110.886 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.428 HD12 HG11 ' A' ' 54' ' ' VAL . 85.6 mt -88.3 -8.77 54.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.534 0.733 . . . . 71.14 111.143 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.424 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 36.1 t0 60.46 32.41 20.54 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.122 1.369 . . . . 72.23 111.112 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.468 HG12 ' HA ' ' A' ' 24' ' ' SER . 23.4 mt -80.94 82.15 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 107.837 -1.172 . . . . 72.52 107.837 171.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' A' ' 104' ' ' LEU . 48.1 mtpt -63.54 -34.19 12.19 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 114.409 -1.269 . . . . 71.15 113.727 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -48.17 -52.06 8.97 Favored 'Trans proline' 0 C--N 1.398 3.164 0 C-N-CA 122.19 1.927 . . . . 63.01 113.287 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 95' ' ' ALA . 7.3 tt -68.42 -43.14 77.83 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.939 0.496 . . . . 54.22 110.217 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.457 ' HB3' ' HA ' ' A' ' 101' ' ' LYS . 61.3 tp -54.21 -49.25 69.84 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.059 0.944 . . . . 64.32 111.316 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.47 -39.85 92.45 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 124.072 0.857 . . . . 61.4 111.578 -177.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.452 HG21 ' OH ' ' A' ' 57' ' ' TYR . 77.1 t -66.34 -41.29 88.69 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.239 0.615 . . . . 50.44 111.222 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -71.2 -29.64 65.41 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.917 0.487 . . . . 70.45 110.662 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' B' ' 93' ' ' LEU . 85.8 m -68.45 -32.24 72.12 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.281 0.632 . . . . 74.33 110.541 172.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -69.74 -40.68 76.01 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.93 0.492 . . . . 74.5 110.022 172.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.8 m -60.54 -46.98 88.16 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.648 0.779 . . . . 75.3 111.667 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.7 -33.75 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.681 0.392 . . . . 70.15 111.0 178.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.61 -31.66 70.99 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.302 0.641 . . . . 54.11 111.178 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -67.64 -36.55 80.97 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.4 0.68 . . . . 61.32 110.972 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 49.8 mtm -62.68 -45.13 94.19 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.885 0.474 . . . . 73.41 110.686 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.501 ' HB ' ' HB3' ' B' ' 86' ' ' PRO . 36.4 pt -86.67 -11.55 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 115.713 -0.676 . . . . 54.32 112.122 -175.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -65.98 -40.82 91.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.522 0.729 . . . . 72.44 111.007 -176.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 CA-C-O 119.634 -0.536 . . . . 71.13 111.816 177.957 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 109.674 -0.491 . . . . 63.24 109.674 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.41 ' HB3' ' HB3' ' B' ' 15' ' ' GLU . 47.5 mt -113.56 120.16 39.99 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.802 0.441 . . . . 74.53 111.025 -172.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.9 m -99.77 147.4 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.393 -0.965 . . . . 73.12 108.393 166.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.563 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 95.9 mttt -94.05 132.97 38.01 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 122.773 0.429 . . . . 73.24 111.208 -171.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -122.59 107.83 12.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.935 0.894 . . . . 75.42 109.504 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.404 ' HG3' HG22 ' B' ' 13' ' ' VAL . 4.3 mt-10 -84.64 119.48 25.28 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.569 -0.53 . . . . 72.4 109.569 175.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.5 p -74.65 -177.42 3.18 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.38 0.672 . . . . 73.32 111.235 175.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.2 t -61.05 -22.83 64.95 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.602 0.761 . . . . 74.23 111.476 174.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -94.38 13.19 24.48 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.924 0.889 . . . . 74.3 111.584 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 65.38 13.7 8.98 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.212 1.005 . . . . 60.24 112.5 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -80.48 122.08 26.55 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.003 0.521 . . . . 72.41 109.711 -178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' B' ' 5' ' ' LYS . 73.4 t -83.26 93.93 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 C-N-CA 123.971 0.908 . . . . 54.33 110.482 -177.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -83.58 92.97 7.76 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 123.267 0.627 . . . . 65.44 109.481 172.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.563 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 43.3 mt-10 -71.32 92.6 1.06 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.594 -0.891 . . . . 74.32 108.594 173.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.44 HD13 ' HB3' ' B' ' 55' ' ' LEU . 10.5 tp -97.56 152.64 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-N 115.445 -0.798 . . . . 64.14 109.762 -176.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -61.07 141.19 57.59 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 122.635 0.374 . . . . 71.0 110.617 174.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.452 ' HE3' HD13 ' B' ' 31' ' ' ILE . 22.8 tptm -61.15 -38.97 88.33 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.466 1.107 . . . . 75.42 111.175 -176.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.9 -40.22 92.24 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.83 0.706 . . . . 75.34 110.705 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.532 HG23 ' HB3' ' B' ' 58' ' ' CYS . 76.2 mt -67.14 -44.2 88.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.168 -0.924 . . . . 74.35 110.369 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.48 66.74 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.322 -0.854 . . . . 74.4 111.666 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 72.3 m -75.8 -34.85 60.19 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.606 0.762 . . . . 74.24 111.154 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 44.4 mtm -63.39 -35.02 79.01 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.386 0.612 . . . . 73.43 110.14 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.476 ' HA ' HG12 ' B' ' 100' ' ' ILE . 33.9 t -71.89 104.67 3.55 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.844 -1.071 . . . . 74.34 108.31 169.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.423 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 61.5 t -64.03 -39.96 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 122.921 0.489 . . . . 55.42 111.631 -171.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -64.04 -46.61 83.67 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.363 0.665 . . . . 75.52 112.132 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.8 -41.76 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 122.759 0.424 . . . . 55.42 109.878 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' B' ' 25' ' ' VAL . 16.0 ttpp -56.13 -44.29 79.02 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.002 0.921 . . . . 75.01 110.695 172.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -65.14 -37.4 87.29 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.473 0.709 . . . . 61.34 111.121 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -46.53 88.87 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.41 0.684 . . . . 65.45 110.302 176.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.452 HD13 ' HE3' ' B' ' 18' ' ' LYS . 96.0 mt -59.65 -49.91 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.751 0.82 . . . . 75.22 110.177 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.77 -37.35 87.32 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.685 0.794 . . . . 63.52 111.968 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.82 -37.78 70.28 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.758 0.823 . . . . 75.34 111.293 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.4 mt -84.05 -5.33 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.441 0 C-N-CA 123.651 0.78 . . . . 73.24 109.948 174.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.55 -58.59 1.11 Allowed Glycine 0 C--N 1.346 1.098 0 N-CA-C 110.917 -0.873 . . . . 73.21 110.917 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -167.59 138.48 2.94 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.288 1.035 . . . . 73.54 108.504 174.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 60.3 m -148.36 113.53 5.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.053 0.541 . . . . 74.3 111.412 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -94.51 -11.91 28.69 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.688 0.795 . . . . 61.2 110.063 167.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.2 p -57.7 158.19 12.56 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 125.046 1.338 . . . . 74.11 112.454 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -60.79 95.12 0.11 Allowed 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.103 1.869 . . . . 73.02 111.984 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.1 mm -72.41 111.43 10.95 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.828 0.851 . . . . 72.0 109.217 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.49 126.14 8.1 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.181 1.92 . . . . 73.41 112.242 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 68.3 mt -117.16 87.33 23.14 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 125.143 1.377 . . . . 75.34 108.246 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.55 -29.64 16.01 Favored 'Trans proline' 0 C--N 1.374 1.89 0 C-N-CA 123.07 2.513 . . . . 55.01 113.904 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -84.03 14.96 3.7 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.217 0.607 . . . . 74.14 112.46 -173.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 p -145.34 131.15 13.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.232 0.613 . . . . 62.01 109.744 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 66.4 p -75.45 166.8 23.04 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.116 0.566 . . . . 72.53 110.293 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 53.1 p -64.34 -37.59 88.04 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.595 0.758 . . . . 72.43 111.707 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 31.4 p -64.35 -48.94 73.64 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.604 0.762 . . . . 74.25 111.383 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.406 ' O ' HG23 ' B' ' 54' ' ' VAL . 49.0 mm -70.34 -46.39 71.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 C-N-CA 122.914 0.486 . . . . 73.52 109.733 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.84 -36.87 77.74 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.585 0.754 . . . . 64.21 111.318 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.33 -49.86 73.15 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.98 0.8 . . . . 75.41 109.861 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -71.01 -37.19 72.63 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.389 1.056 . . . . 72.55 112.101 -175.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.444 HG13 HD13 ' B' ' 103' ' ' LEU . 81.6 t -63.88 -43.16 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.053 0.541 . . . . 62.3 110.048 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' B' ' 59' ' ' ARG . 97.8 mt -73.44 -32.12 64.19 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.603 -0.726 . . . . 72.42 110.991 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.71 -44.58 81.25 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.646 1.178 . . . . 64.23 111.68 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' TYR . . . . . 0.455 ' OH ' HG21 ' B' ' 106' ' ' VAL . 85.0 t80 -60.37 -41.86 94.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.202 0.601 . . . . 75.02 110.357 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.532 ' HB3' HG23 ' B' ' 20' ' ' ILE . 72.4 m -68.41 -28.46 67.1 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.332 -0.849 . . . . 51.23 111.951 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 56.0 mtt180 -59.24 -39.84 84.03 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.975 0.51 . . . . 72.13 110.5 171.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -59.94 -36.28 76.73 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.66 0.784 . . . . 64.53 111.272 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -78.99 -19.5 51.47 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.463 0.705 . . . . 73.34 111.958 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -82.69 -46.53 13.1 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.034 0.534 . . . . 72.12 110.907 174.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.15 -29.93 57.96 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.848 0.859 . . . . 74.3 110.904 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 107.802 -1.184 . . . . 74.42 107.802 175.306 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 33.7 mm . . . . . 0 CA--C 1.552 1.024 0 N-CA-C 108.976 -0.75 . . . . 73.22 108.976 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -72.88 145.74 41.01 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.412 2.075 . . . . 74.32 111.062 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -48.07 -36.78 29.02 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 123.217 2.611 . . . . 52.33 114.051 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -57.65 -56.3 23.69 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.772 1.229 . . . . 74.34 111.236 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.71 -28.24 61.62 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.42 1.088 . . . . 61.15 110.613 -174.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -67.54 -41.57 84.1 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.208 1.003 . . . . 61.42 110.251 176.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -77.28 -24.44 50.99 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.606 -0.724 . . . . 70.04 111.189 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -63.08 -35.8 81.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.168 0.587 . . . . 51.11 110.111 172.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.3 -7.57 43.58 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 115.277 -0.874 . . . . 73.11 112.597 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -72.43 87.04 1.16 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 121.525 0.679 . . . . 63.25 109.865 170.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.491 HG11 HD11 ' B' ' 91' ' ' LEU . 3.1 m -137.98 145.29 29.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.651 1.18 . . . . 74.13 108.827 174.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -66.03 158.16 29.06 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.674 0.79 . . . . 60.23 109.537 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -52.7 -49.63 85.36 Favored Pre-proline 0 CA--C 1.572 1.805 0 CA-C-O 118.679 -0.677 . . . . 74.44 112.772 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.501 ' HB3' ' HB ' ' A' ' 115' ' ' ILE . 22.0 Cg_endo -62.08 -33.27 83.0 Favored 'Trans proline' 0 C--N 1.388 2.619 0 C-N-CA 122.092 1.862 . . . . 75.14 113.576 171.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 8.5 m -67.78 -28.62 67.76 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.834 0.853 . . . . 63.51 111.998 -175.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mp -54.57 -46.87 73.79 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 109.905 -0.405 . . . . 74.33 109.905 169.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.43 ' HE1' ' HE1' ' A' ' 89' ' ' PHE . 40.9 m-85 -69.35 -31.63 70.18 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.59 -0.732 . . . . 73.24 111.563 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.65 -35.95 82.69 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.724 0.41 . . . . 74.13 110.733 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.491 HD11 HG11 ' B' ' 83' ' ' VAL . 74.7 mt -71.15 -38.28 72.24 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.12 0.568 . . . . 65.54 110.958 174.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.67 -43.63 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 123.303 0.641 . . . . 75.02 110.571 175.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.414 HD23 ' HB3' ' A' ' 108' ' ' CYS . 84.6 mt -65.56 -41.65 92.71 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.874 0.87 . . . . 73.2 110.87 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.86 -32.48 61.91 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.475 0.71 . . . . 60.21 111.698 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.504 ' HB2' HD22 ' B' ' 103' ' ' LEU . . . -73.21 -33.92 65.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.009 0.524 . . . . 61.54 111.158 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -77.43 -35.42 54.11 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.447 0.699 . . . . 74.31 110.074 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -65.14 -46.1 82.28 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.894 0.878 . . . . 74.44 110.624 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.435 HD12 HG11 ' B' ' 54' ' ' VAL . 85.6 mt -88.51 -8.46 54.8 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.581 0.752 . . . . 75.54 111.117 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.411 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 38.5 t0 59.95 33.13 21.42 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.153 1.381 . . . . 72.04 111.198 178.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.476 HG12 ' HA ' ' B' ' 24' ' ' SER . 23.0 mt -81.35 81.96 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.628 0 N-CA-C 107.939 -1.134 . . . . 62.41 107.939 171.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.419 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 49.4 mtpt -63.34 -34.09 12.26 Favored Pre-proline 0 CA--C 1.564 1.495 0 CA-C-N 114.225 -1.352 . . . . 74.31 113.592 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.3 -52.17 8.85 Favored 'Trans proline' 0 C--N 1.399 3.233 0 C-N-CA 122.284 1.989 . . . . 74.13 113.252 166.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.504 HD22 ' HB2' ' B' ' 95' ' ' ALA . 7.2 tt -68.55 -42.63 78.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.784 0.433 . . . . 74.04 110.302 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.419 ' HB3' ' HA ' ' B' ' 101' ' ' LYS . 63.9 tp -54.46 -49.03 71.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.931 0.892 . . . . 75.13 111.302 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.49 -40.06 92.64 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.331 1.02 . . . . 63.4 111.601 -176.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.455 HG21 ' OH ' ' B' ' 57' ' ' TYR . 72.6 t -66.08 -41.63 89.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.321 0.648 . . . . 71.34 111.38 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.6 m -71.14 -29.39 65.17 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.921 0.488 . . . . 52.04 110.596 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 85.8 m -68.84 -32.01 71.4 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.276 0.63 . . . . 73.21 110.481 173.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.95 -40.82 75.22 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.819 0.448 . . . . 74.44 110.073 172.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 40.4 m -60.15 -47.01 87.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.677 0.791 . . . . 65.31 111.602 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.71 -33.74 57.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 122.58 0.352 . . . . 53.33 111.005 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.19 -32.19 72.24 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.308 0.643 . . . . 70.03 111.132 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -68.13 -35.1 77.58 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.602 0.761 . . . . 55.05 111.051 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 49.5 mtm -64.27 -44.52 91.44 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.071 0.548 . . . . 61.23 110.686 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 34.5 pt -86.68 -13.21 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 115.912 -0.586 . . . . 62.22 112.056 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 . . . . . 0 N--CA 1.48 1.031 0 C-N-CA 123.564 0.746 . . . . 73.04 111.482 -176.049 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 mt . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 109.357 -0.608 . . . . 52.52 109.357 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -86.9 107.53 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 N-CA-C 108.913 -0.773 . . . . 74.05 108.913 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.572 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 93.9 mttt -75.77 108.39 8.6 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 114.997 -1.001 . . . . 51.51 109.969 -177.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.6 mt -100.56 92.5 5.15 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.511 0.724 . . . . 75.15 109.978 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.528 ' HG3' HG22 ' A' ' 13' ' ' VAL . 3.0 mp0 -69.12 108.72 3.7 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.848 -0.797 . . . . 75.33 108.848 170.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.7 p -62.11 -179.12 0.2 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.292 0.637 . . . . 74.2 111.298 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t -66.98 -17.1 64.76 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.084 0.553 . . . . 72.31 110.635 174.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 36.3 t70 -96.73 8.16 44.92 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 124.602 1.161 . . . . 55.5 110.35 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 68.53 9.66 7.43 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.843 1.657 . . . . 52.43 113.434 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.511 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 9.8 mmpt? -73.08 122.58 22.03 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.623 -0.51 . . . . 73.34 109.623 177.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.528 HG22 ' HG3' ' A' ' 7' ' ' GLU . 42.1 t -81.37 101.66 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 123.971 0.908 . . . . 75.21 109.785 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -93.35 88.83 6.12 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.657 0.783 . . . . 73.31 109.481 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.53 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 23.5 mt-10 -76.63 76.19 3.31 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.456 -0.793 . . . . 41.13 109.062 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.3 tt -92.49 149.14 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-N 115.407 -0.815 . . . . 60.12 109.342 -175.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.34 135.3 53.05 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.325 0.65 . . . . 52.32 109.975 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.543 ' HE2' HG21 ' A' ' 31' ' ' ILE . 56.6 tttm -63.42 -31.26 72.37 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.716 1.207 . . . . 63.22 111.752 -173.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -60.37 -32.5 71.35 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.589 0.756 . . . . 74.14 111.805 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.9 mt -76.26 -41.34 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 115.38 -0.827 . . . . 75.44 109.356 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.7 -1.07 14.96 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.796 -1.093 . . . . 64.14 112.699 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 62.5 m -74.48 -29.87 61.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.33 0.652 . . . . 60.4 111.353 171.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.6 mtm -68.29 -30.11 69.04 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.824 0.45 . . . . 73.12 110.003 174.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -71.37 102.57 2.65 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.205 -0.907 . . . . 71.2 109.112 166.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.65 -31.51 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 N-CA-C 109.965 -0.383 . . . . 75.14 109.965 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.8 m -64.46 -50.54 67.09 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.622 0.369 . . . . 61.14 111.009 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.451 ' O ' HG13 ' A' ' 31' ' ' ILE . 68.4 mt -65.23 -43.16 95.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 109.087 -0.708 . . . . 62.33 109.087 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 61.4 tttp -55.1 -52.23 63.89 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 124.354 1.034 . . . . 63.35 111.153 176.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -58.18 -36.83 73.63 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.575 0.75 . . . . 63.55 111.107 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 77.6 mtm -70.92 -38.55 72.93 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.807 -0.633 . . . . 74.33 110.987 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.543 HG21 ' HE2' ' A' ' 18' ' ' LYS . 81.5 mt -66.38 -40.07 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 122.865 0.466 . . . . 73.41 109.963 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 64.4 mm-40 -66.36 -42.05 88.59 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.924 0.49 . . . . 74.2 109.974 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.26 -40.53 81.89 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.471 1.108 . . . . 73.34 111.492 -176.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.6 mt -80.2 -18.63 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.871 0.868 . . . . 75.45 109.9 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.85 -63.65 2.15 Favored Glycine 0 C--N 1.343 0.951 0 N-CA-C 110.615 -0.994 . . . . 51.32 110.615 -176.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -136.23 127.84 28.85 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.83 -1.174 . . . . 71.25 107.83 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 p -74.46 76.39 1.93 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.276 0.63 . . . . 73.43 111.251 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.89 -36.62 59.41 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.133 0.973 . . . . 74.24 109.949 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -83.84 135.28 42.94 Favored Pre-proline 0 C--O 1.247 0.963 0 CA-C-N 115.008 -0.997 . . . . 74.3 109.716 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.572 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 31.6 Cg_exo -59.85 143.78 99.55 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.471 2.114 . . . . 54.35 111.088 171.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.2 mm -96.76 103.96 16.58 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 122.911 0.484 . . . . 74.54 110.274 -175.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.404 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 85.1 Cg_endo -82.12 111.25 2.14 Favored 'Trans proline' 0 C--N 1.373 1.816 0 C-N-CA 122.242 1.961 . . . . 75.35 111.783 175.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -89.27 96.8 0.8 Allowed Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 124.306 1.042 . . . . 72.21 109.645 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 39.0 Cg_endo -87.17 25.18 0.68 Allowed 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 123.038 2.492 . . . . 51.42 113.4 -170.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -125.02 -59.27 1.42 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.92 0.888 . . . . 71.1 110.057 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.38 126.73 37.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 116.12 -0.491 . . . . 73.11 110.553 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 p -74.58 166.89 22.8 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.965 0.906 . . . . 72.13 110.869 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.515 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 61.5 p -64.39 -46.36 83.66 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.405 0.682 . . . . 61.34 112.382 -173.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.4 p -60.1 -48.49 81.51 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.611 0.764 . . . . 70.4 111.116 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.465 HG23 HD23 ' A' ' 91' ' ' LEU . 49.4 mm -67.54 -46.95 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.477 -0.783 . . . . 74.32 110.415 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.58 -35.3 80.05 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.339 0.656 . . . . 63.33 110.996 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.3 -51.27 70.65 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.889 0.876 . . . . 75.35 110.361 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -64.69 -49.51 70.63 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 114.809 -1.087 . . . . 72.54 111.283 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.1 -44.89 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 123.357 0.411 . . . . 71.03 110.532 -175.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.568 ' HB3' HD12 ' A' ' 16' ' ' ILE . 71.5 mt -68.66 -30.3 68.96 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.116 0.566 . . . . 63.53 112.012 178.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.62 -42.61 77.83 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.122 0.569 . . . . 61.31 109.621 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -68.57 -36.44 78.76 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.26 -0.882 . . . . 60.24 110.233 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.687 ' SG ' HD13 ' A' ' 100' ' ' ILE . 73.8 m -62.33 -40.38 96.17 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.83 0.452 . . . . 65.54 110.57 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 35.2 ttt180 -66.29 -42.39 88.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.988 -0.551 . . . . 72.14 109.78 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -54.49 -43.15 71.54 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.968 0.907 . . . . 71.14 111.213 174.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -74.44 -26.93 60.36 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.273 -0.876 . . . . 72.31 111.583 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -80.2 -39.25 29.57 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.577 0.227 . . . . 74.23 110.872 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 13.7 mm100 -71.36 -38.18 71.59 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.424 0.69 . . . . 74.12 110.039 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 124.069 0.948 . . . . 73.35 108.539 178.281 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 CA--C 1.551 1.007 0 N-CA-C 109.46 -0.571 . . . . 62.2 109.46 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.0 138.28 47.32 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.562 2.175 . . . . 61.23 111.429 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -49.24 -45.5 29.7 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.84 3.027 . . . . 72.41 113.866 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -58.16 -55.5 34.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 123.3 0.375 . . . . 73.33 110.646 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.83 -30.15 71.27 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.566 1.146 . . . . 75.41 111.113 -174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -72.94 -55.04 7.15 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.465 1.106 . . . . 74.42 110.96 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -72.63 -21.84 61.04 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.028 -0.987 . . . . 75.34 111.261 -174.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.419 ' HE2' HD21 ' A' ' 103' ' ' LEU . 59.3 t80 -57.51 -43.3 84.11 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.848 0.859 . . . . 75.24 110.739 174.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 73.6 m -74.43 -11.57 60.27 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.393 -0.822 . . . . 73.12 112.329 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -78.7 79.05 5.13 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.32 0.648 . . . . 70.2 110.687 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -130.23 173.15 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.195 0.998 . . . . 71.13 109.121 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.15 160.89 20.26 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.784 0.434 . . . . 73.53 110.337 175.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -49.28 92.49 Favored Pre-proline 0 CA--C 1.565 1.537 0 CA-C-O 118.475 -0.774 . . . . 74.42 111.798 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.411 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 27.5 Cg_endo -60.11 -40.83 57.18 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 121.499 1.466 . . . . 54.13 111.92 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.4 m -65.71 -30.63 71.33 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.847 0.859 . . . . 64.14 111.356 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 tt -70.98 -46.35 62.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.115 0.966 . . . . 72.01 108.595 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -62.06 -32.84 73.41 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.766 0.666 . . . . 73.14 110.906 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 40.7 mm-40 -64.25 -38.6 91.63 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.054 0.542 . . . . 74.35 111.438 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.465 HD23 HG23 ' A' ' 50' ' ' ILE . 87.4 mt -67.7 -36.89 81.47 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.931 0.492 . . . . 73.4 110.716 176.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.01 -46.39 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.57 0.748 . . . . 64.43 109.813 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.81 -38.09 82.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.814 0.845 . . . . 55.3 111.159 -176.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.0 -41.17 71.29 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.501 0.72 . . . . 61.31 111.08 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -69.13 -35.09 76.02 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.029 -0.987 . . . . 74.52 111.049 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -74.59 -35.4 62.99 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.494 0.718 . . . . 73.22 109.924 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -65.52 -37.13 85.88 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.368 1.067 . . . . 74.21 111.05 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.5 mt -102.78 -7.48 21.59 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.755 -0.657 . . . . 74.5 112.11 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 64.96 30.98 11.65 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.617 1.167 . . . . 72.13 111.933 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.687 HD13 ' SG ' ' A' ' 58' ' ' CYS . 65.8 mt -74.98 83.87 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 123.61 0.764 . . . . 65.25 108.978 171.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 102' ' ' PRO . 0.7 OUTLIER -64.1 -40.67 55.71 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 117.841 -1.076 . . . . 74.12 112.494 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 4.4 Cg_endo -46.29 -49.28 11.85 Favored 'Trans proline' 0 C--N 1.396 3.047 0 C-N-CA 122.593 2.196 . . . . 74.22 114.131 175.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.469 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.3 tm? -75.93 -44.95 37.71 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.779 0.432 . . . . 75.24 109.991 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.691 HD21 HD21 ' B' ' 104' ' ' LEU . 54.0 tp -53.25 -42.47 66.48 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.364 1.066 . . . . 75.43 112.028 -177.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.72 -51.24 63.43 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.695 0.798 . . . . 54.42 110.069 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.2 t -57.8 -42.36 81.83 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 O-C-N 124.179 0.924 . . . . 70.11 111.085 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.5 m -73.11 -32.65 65.09 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.884 0.874 . . . . 75.43 111.375 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 76.7 m -75.72 -28.97 58.78 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.314 0.646 . . . . 52.24 110.689 175.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -30.36 62.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.163 0.585 . . . . 63.22 110.325 174.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.9 m -60.56 -49.79 76.15 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.102 0.561 . . . . 53.03 110.9 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.5 -32.21 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 122.572 0.349 . . . . 65.21 111.6 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.43 93.76 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.659 0.599 . . . . 73.44 111.137 176.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -65.23 -32.23 73.8 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.493 0.717 . . . . 61.12 111.301 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 44.7 mtm -67.36 -36.14 80.78 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 123.5 0.5 . . . . 62.14 111.286 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.8 pt -94.03 -13.59 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 122.662 0.385 . . . . 72.33 111.522 177.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -80.71 91.67 5.91 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 107.899 -1.148 . . . . 70.24 107.899 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.248 0 CA-C-O 118.942 -0.921 . . . . 64.03 111.386 -179.785 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.236 0.065 . . . . 35.24 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 49.4 mt -110.38 116.55 31.64 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.445 -0.576 . . . . 62.53 109.445 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.8 m -88.1 107.61 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 CA-C-O 121.744 0.783 . . . . 72.34 108.919 173.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 93.7 mttt -75.94 108.51 8.87 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.882 -1.054 . . . . 73.43 109.912 -177.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 mt -100.43 92.88 5.36 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 123.582 0.753 . . . . 63.34 109.948 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.503 ' HG3' HG22 ' B' ' 13' ' ' VAL . 2.9 mp0 -69.52 109.29 4.18 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 108.711 -0.848 . . . . 63.05 108.711 170.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.9 p -62.3 -178.17 0.17 Allowed 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 121.396 0.617 . . . . 53.41 111.354 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.0 t -66.64 -18.12 65.2 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.065 0.546 . . . . 70.4 110.467 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.53 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 35.4 t70 -96.14 8.17 44.5 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 124.513 1.125 . . . . 72.04 110.487 175.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 67.81 9.68 7.27 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.743 1.617 . . . . 73.44 113.669 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 10.4 mmpt? -73.25 122.13 21.45 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.434 -0.58 . . . . 70.01 109.434 178.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.503 HG22 ' HG3' ' B' ' 7' ' ' GLU . 42.7 t -81.0 100.35 5.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 124.197 0.999 . . . . 61.43 109.929 -174.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -92.57 88.35 6.29 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.454 0.702 . . . . 72.1 109.548 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.556 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 27.6 mt-10 -75.46 76.07 2.51 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.693 0.797 . . . . 73.12 109.232 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.569 HD12 ' HB3' ' B' ' 55' ' ' LEU . 12.4 tt -92.44 149.22 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 115.774 -0.648 . . . . 74.31 109.431 -175.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -66.73 135.48 54.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.229 0.612 . . . . 61.52 110.014 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.536 ' HE2' HG21 ' B' ' 31' ' ' ILE . 56.1 tttm -63.54 -30.68 71.76 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.434 1.094 . . . . 73.25 111.795 -173.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.15 -32.16 71.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.456 0.702 . . . . 52.33 111.987 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 40.1 mt -76.32 -41.36 36.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 123.8 0.84 . . . . 75.04 109.43 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.49 -1.15 14.77 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.789 -1.096 . . . . 73.15 112.788 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 67.3 m -74.39 -29.82 61.69 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.425 0.69 . . . . 65.32 111.408 171.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 61.2 mtm -68.29 -30.18 69.13 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 122.975 0.51 . . . . 75.33 110.045 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -71.61 102.75 2.83 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.177 -0.92 . . . . 54.11 108.982 166.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.9 -31.9 55.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 109.919 -0.4 . . . . 75.03 109.919 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 97.9 m -64.24 -50.05 69.52 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.578 0.351 . . . . 61.24 111.003 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.441 ' O ' HG13 ' B' ' 31' ' ' ILE . 68.5 mt -65.41 -43.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 109.263 -0.643 . . . . 73.42 109.263 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' B' ' 32' ' ' GLU . 61.2 tttp -55.11 -51.97 64.72 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 124.444 1.09 . . . . 74.44 111.103 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.43 -36.6 73.88 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.613 0.765 . . . . 74.24 111.065 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 76.1 mtm -71.11 -38.82 72.32 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.764 0.665 . . . . 72.24 110.725 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.536 HG21 ' HE2' ' B' ' 18' ' ' LYS . 80.7 mt -65.97 -39.58 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 122.767 0.427 . . . . 75.25 110.058 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 28' ' ' LYS . 60.7 mm-40 -66.59 -41.53 88.34 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.011 0.524 . . . . 75.01 110.249 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -68.99 -42.09 76.96 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.178 -0.919 . . . . 73.12 110.973 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.63 -19.3 14.0 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 123.871 0.868 . . . . 61.22 110.111 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.93 -63.99 2.09 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 110.384 -1.086 . . . . 45.03 110.384 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -136.44 129.37 31.04 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 107.833 -1.173 . . . . 64.11 107.833 172.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.9 p -75.01 79.29 2.2 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.271 0.629 . . . . 72.33 110.631 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.64 -37.93 48.99 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.83 0.852 . . . . 71.53 109.658 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 62.3 p -81.67 134.28 50.99 Favored Pre-proline 0 C--O 1.245 0.856 0 CA-C-N 115.211 -0.904 . . . . 70.42 109.804 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' PRO . . . . . 0.59 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 33.1 Cg_exo -59.35 144.63 99.34 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.376 2.051 . . . . 70.34 110.727 171.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -97.28 105.5 25.5 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 122.582 0.353 . . . . 72.05 110.089 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.9 113.0 2.13 Favored 'Trans proline' 0 C--N 1.371 1.734 0 C-N-CA 122.125 1.883 . . . . 73.02 111.412 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.2 mt -90.8 96.3 0.94 Allowed Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 124.318 1.047 . . . . 70.5 109.613 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -88.37 29.77 0.45 Allowed 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 123.253 2.635 . . . . 52.03 112.889 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -128.19 -59.91 1.15 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.855 0.862 . . . . 63.45 109.573 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.47 127.15 37.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.935 -0.575 . . . . 74.5 110.563 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p -74.98 166.71 23.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.053 0.941 . . . . 71.54 110.696 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.53 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 50.9 p -63.54 -47.55 81.16 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.569 0.748 . . . . 63.22 112.515 -173.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 38.8 p -59.56 -49.64 77.0 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.985 0.914 . . . . 73.23 111.139 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.454 HG23 HD23 ' B' ' 91' ' ' LEU . 49.0 mm -65.97 -47.06 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 115.656 -0.702 . . . . 70.22 110.33 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.84 -35.17 79.74 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.312 0.645 . . . . 61.23 111.114 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.75 -51.23 70.66 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.852 0.861 . . . . 70.32 110.375 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.13 -49.7 71.13 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.92 -1.036 . . . . 74.54 111.314 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.09 -45.38 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 O-C-N 123.394 0.434 . . . . 73.24 110.455 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.569 ' HB3' HD12 ' B' ' 16' ' ' ILE . 70.4 mt -67.93 -30.89 70.32 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.144 0.578 . . . . 65.21 112.148 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.79 -42.18 77.74 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 109.624 -0.51 . . . . 73.3 109.624 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -68.31 -36.51 79.42 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.345 -0.843 . . . . 54.22 110.161 176.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.698 ' SG ' HD13 ' B' ' 100' ' ' ILE . 73.4 m -62.41 -40.71 97.41 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.861 0.464 . . . . 54.44 110.513 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 36.2 ttt180 -66.04 -42.27 89.8 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.145 -0.48 . . . . 73.14 109.857 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -54.67 -43.12 72.15 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.034 0.934 . . . . 71.13 111.306 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -74.22 -27.43 60.78 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.175 -0.92 . . . . 70.41 111.515 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -78.99 -39.59 33.77 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.54 0.209 . . . . 75.2 110.633 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 12.8 mm100 -71.34 -38.42 71.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.651 0.78 . . . . 72.34 110.198 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 . . . . . 0 CA--C 1.546 0.79 0 C-N-CA 123.918 0.887 . . . . 75.3 108.645 178.096 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 59.4 mt . . . . . 0 CA--C 1.555 1.16 0 N-CA-C 109.74 -0.467 . . . . 61.05 109.74 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.88 138.18 47.53 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.564 2.176 . . . . 72.33 111.455 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -49.15 -44.47 33.19 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 124.109 3.206 . . . . 62.54 113.9 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -59.28 -55.55 33.36 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 123.265 0.353 . . . . 74.04 111.024 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.6 -29.93 70.97 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.479 1.112 . . . . 35.14 111.063 -175.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -73.42 -55.01 6.92 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.493 1.117 . . . . 73.42 110.886 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -72.64 -21.56 61.08 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.101 -0.954 . . . . 72.24 111.243 -174.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.406 ' HE2' HD21 ' B' ' 103' ' ' LEU . 58.0 t80 -57.27 -43.69 83.28 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.948 0.899 . . . . 74.11 110.604 173.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 70.5 m -75.01 -11.07 60.02 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.842 0.857 . . . . 74.54 112.275 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -78.73 79.94 5.12 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.187 0.595 . . . . 72.45 110.491 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 20.8 m -132.23 170.28 20.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 C-N-CA 124.409 1.083 . . . . 63.21 108.998 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.68 160.32 14.4 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.006 0.522 . . . . 71.13 110.404 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -49.48 91.05 Favored Pre-proline 0 CA--C 1.562 1.416 0 CA-C-O 118.476 -0.773 . . . . 74.43 111.822 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 27.4 Cg_endo -60.09 -40.36 61.51 Favored 'Trans proline' 0 C--N 1.392 2.838 0 CA-C-N 120.953 1.376 . . . . 73.04 111.941 173.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 10.2 m -65.69 -30.62 71.34 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.693 0.797 . . . . 74.41 111.295 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tt -71.24 -46.41 61.13 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.273 1.029 . . . . 62.3 108.509 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -61.94 -33.06 73.58 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.819 0.699 . . . . 73.11 110.83 175.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 29.6 mm-40 -64.05 -38.66 91.87 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.956 0.502 . . . . 73.45 111.427 175.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.454 HD23 HG23 ' B' ' 50' ' ' ILE . 87.3 mt -67.54 -36.82 81.73 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.037 0.535 . . . . 72.52 110.776 176.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.16 -46.21 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.538 0.735 . . . . 63.11 109.778 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.91 -38.12 82.55 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.849 0.86 . . . . 62.22 111.074 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.08 -41.44 70.68 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.577 0.751 . . . . 62.33 111.057 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.485 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -68.74 -35.24 76.85 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.074 -0.966 . . . . 62.14 110.975 177.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 96' ' ' ASN . . . . . 0.413 ' ND2' ' HG ' ' A' ' 104' ' ' LEU . 41.6 t-20 -74.22 -35.69 63.89 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.475 0.71 . . . . 55.2 110.001 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -65.95 -35.57 80.96 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.233 1.013 . . . . 73.54 111.067 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 84.9 mt -103.87 -7.3 20.58 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.094 0.558 . . . . 72.54 112.448 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 64.92 30.83 11.81 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.585 1.154 . . . . 70.4 111.699 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.698 HD13 ' SG ' ' B' ' 58' ' ' CYS . 65.8 mt -74.93 83.81 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 109.006 -0.739 . . . . 74.4 109.006 171.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.484 ' N ' ' HD2' ' B' ' 102' ' ' PRO . 0.7 OUTLIER -64.21 -40.4 52.3 Favored Pre-proline 0 CA--C 1.559 1.321 0 CA-C-O 117.747 -1.12 . . . . 65.44 112.577 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 102' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' B' ' 101' ' ' LYS . 4.2 Cg_endo -46.14 -49.51 11.31 Favored 'Trans proline' 0 C--N 1.395 3.026 0 C-N-CA 122.472 2.114 . . . . 73.23 114.215 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.485 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.3 tm? -75.87 -44.97 38.08 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.743 0.417 . . . . 73.23 109.974 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.691 HD21 HD21 ' A' ' 104' ' ' LEU . 54.2 tp -53.29 -42.67 66.82 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.384 1.074 . . . . 75.55 112.041 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.6 -51.12 64.37 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.899 0.749 . . . . 70.01 110.05 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.6 -42.7 81.86 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 O-C-N 124.079 0.862 . . . . 54.12 111.031 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.2 m -72.95 -32.64 65.38 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.056 0.942 . . . . 62.51 111.318 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 78.4 m -75.85 -28.71 58.32 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.319 0.648 . . . . 65.33 110.741 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.51 -30.27 61.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.178 0.591 . . . . 64.13 110.306 174.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 55.3 m -60.43 -50.02 75.26 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.193 0.597 . . . . 71.24 110.749 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.68 -32.02 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 122.602 0.361 . . . . 72.21 111.437 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.8 -39.58 94.69 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.071 0.548 . . . . 53.14 111.048 176.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.62 -33.11 75.16 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.663 0.785 . . . . 75.31 111.252 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 53.8 mtm -66.59 -36.03 81.64 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.836 0.455 . . . . 71.53 111.679 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 39.1 pt -94.28 -13.1 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.738 0.415 . . . . 64.52 111.267 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 107.807 -1.183 . . . . 64.43 107.807 175.512 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.7 mt . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.079 -0.341 . . . . 74.14 110.079 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.2 m -93.03 137.46 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 N-CA-C 108.948 -0.76 . . . . 64.41 108.948 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 92.9 mttt -94.32 121.52 35.93 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.538 -0.912 . . . . 75.44 108.538 -177.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.668 HD13 HD13 ' A' ' 27' ' ' ILE . 80.1 mt -120.21 100.67 7.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.978 0.511 . . . . 72.01 109.859 -176.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 2.7 mp0 -75.05 144.46 42.99 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.097 0.475 . . . . 74.33 109.962 173.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 p -82.83 -176.68 6.42 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.422 -0.808 . . . . 71.11 110.215 171.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -63.69 -27.4 69.19 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.535 0.734 . . . . 61.24 110.236 169.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -83.78 1.78 41.21 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.392 1.077 . . . . 64.25 111.367 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 70.92 13.5 7.02 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.231 1.412 . . . . 75.15 113.253 171.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 7' ' ' GLU . 45.1 mmtm -77.53 126.07 30.33 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.65 -0.5 . . . . 73.51 109.65 176.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.2 t -72.44 122.63 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.818 0.847 . . . . 71.12 109.611 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.486 ' CD1' HD12 ' A' ' 51' ' ' LEU . 95.6 m-85 -117.09 91.6 3.62 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.624 0.77 . . . . 74.41 108.944 174.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.576 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 43.5 mt-10 -72.19 103.53 3.37 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.214 -0.903 . . . . 71.44 109.651 176.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 55' ' ' LEU . 14.5 tt -119.37 147.68 22.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 124.497 1.119 . . . . 75.31 108.079 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HB3' HG13 ' A' ' 20' ' ' ILE . 32.6 tt0 -66.04 136.95 56.71 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.381 -0.599 . . . . 73.12 109.381 178.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HG3' HD13 ' A' ' 31' ' ' ILE . 38.2 ttpt -59.27 -34.13 71.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.706 0.802 . . . . 64.42 111.474 -174.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -59.95 -37.67 80.23 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.112 0.965 . . . . 64.13 111.614 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.506 HG13 ' HB3' ' A' ' 17' ' ' GLU . 10.2 mt -79.76 -29.97 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 C-N-CA 123.123 0.569 . . . . 74.12 109.998 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.21 -18.59 60.74 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.528 0.731 . . . . 71.11 111.596 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 94.5 m -73.14 -22.45 60.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.506 0.722 . . . . 63.12 111.604 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 85.6 mtp -63.04 -32.3 73.64 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.58 0.705 . . . . 73.45 110.433 173.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.545 ' HA ' HG12 ' A' ' 100' ' ' ILE . 35.9 t -81.92 111.26 17.94 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.623 -1.172 . . . . 53.11 108.204 170.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 46.5 t -64.91 -39.25 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 123.126 0.266 . . . . 73.34 110.764 -176.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 30' ' ' MET . 98.4 m -60.65 -51.56 68.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.183 0.593 . . . . 75.13 111.757 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.668 HD13 HD13 ' A' ' 6' ' ' LEU . 82.2 mt -69.43 -35.21 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.153 0.581 . . . . 73.43 110.405 -177.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -58.38 -46.89 85.46 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.102 0.961 . . . . 71.11 110.067 173.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -63.87 -35.65 81.34 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.87 0.868 . . . . 74.41 111.187 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 26' ' ' THR . 25.3 mmt -63.57 -47.0 83.31 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.007 0.523 . . . . 65.54 110.697 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.473 HD13 ' HG3' ' A' ' 18' ' ' LYS . 77.5 mt -66.04 -43.68 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.797 0.839 . . . . 72.22 110.54 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.58 -29.25 64.5 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.256 0.622 . . . . 54.12 111.901 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.6 -43.38 72.91 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.561 0.744 . . . . 72.25 110.614 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.4 mt -75.45 -21.38 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-N 114.96 -1.018 . . . . 74.1 109.734 173.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.73 -74.76 2.47 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 110.053 -1.219 . . . . 63.03 110.053 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.21 93.86 4.48 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.182 -1.044 . . . . 70.43 108.182 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -78.27 82.98 4.54 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.345 0.593 . . . . 45.32 110.155 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.41 -32.44 64.43 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.149 -0.932 . . . . 64.54 109.35 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -73.99 138.05 76.11 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 115.157 -0.929 . . . . 72.31 109.046 176.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.58 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.1 Cg_endo -68.88 143.55 55.61 Favored 'Trans proline' 0 C--N 1.361 1.204 0 C-N-CA 121.94 1.76 . . . . 71.53 110.957 175.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.6 mm -96.95 105.62 25.09 Favored Pre-proline 0 CA--C 1.547 0.849 0 N-CA-C 109.35 -0.611 . . . . 74.22 109.35 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -81.33 145.68 15.17 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.029 1.82 . . . . 63.13 111.329 173.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HB3' ' HE1' ' A' ' 97' ' ' TYR . 3.0 mm? -117.37 87.82 26.08 Favored Pre-proline 0 CA--C 1.552 1.05 0 N-CA-C 108.29 -1.004 . . . . 74.24 108.29 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -80.11 63.8 8.79 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.339 2.693 . . . . 71.25 112.553 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -159.23 -58.55 0.07 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.331 1.052 . . . . 73.12 109.137 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.425 HG11 HD23 ' A' ' 51' ' ' LEU . 7.2 p -84.32 130.14 36.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 C-N-CA 123.324 0.65 . . . . 73.32 110.696 -177.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 p -72.92 168.45 18.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.864 0.866 . . . . 65.15 111.167 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 p -62.18 -47.58 83.85 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 112.965 0.728 . . . . 74.1 112.965 -173.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 35.5 p -65.25 -42.66 93.06 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.524 0.73 . . . . 71.41 111.363 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.478 HG23 HD23 ' A' ' 91' ' ' LEU . 51.2 mm -72.18 -42.76 66.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 123.157 0.583 . . . . 72.42 110.527 -177.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.486 HD12 ' CD1' ' A' ' 14' ' ' PHE . 3.2 tm? -63.19 -37.53 87.59 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.972 0.909 . . . . 61.41 109.867 177.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.49 -51.17 71.02 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 123.951 0.782 . . . . 72.45 109.737 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.476 ' HE2' HG11 ' A' ' 83' ' ' VAL . 26.8 mtpp -59.09 -52.53 65.35 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.223 0.952 . . . . 73.01 111.507 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.471 HG12 HD12 ' A' ' 100' ' ' ILE . 97.4 t -60.94 -42.12 91.61 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 C-N-CA 123.152 0.581 . . . . 71.41 111.137 -174.176 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.456 ' HB3' HD12 ' A' ' 16' ' ' ILE . 43.9 mt -75.17 -28.51 60.09 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 112.52 0.563 . . . . 74.02 112.52 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.95 -32.89 65.55 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.173 0.589 . . . . 74.41 110.735 -178.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.92 -41.85 99.6 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.444 0.698 . . . . 75.44 109.758 170.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 75.7 m -64.02 -35.8 81.91 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.169 -0.923 . . . . 71.32 111.255 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.65 -44.57 95.93 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.36 0.664 . . . . 55.33 110.434 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -60.14 -47.69 84.87 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.125 -0.943 . . . . 64.15 111.195 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -77.2 -18.01 58.07 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 116.071 -0.513 . . . . 74.22 111.134 -175.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -69.08 -48.44 62.67 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.874 0.87 . . . . 71.35 110.863 173.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -90.89 -18.85 24.09 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.061 -0.972 . . . . 72.35 110.905 -172.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 . . . . . 0 C--O 1.242 0.705 0 N-CA-C 107.809 -1.182 . . . . 73.15 107.809 175.107 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.0 mt . . . . . 0 CA--C 1.55 0.95 0 N-CA-C 109.178 -0.675 . . . . 73.41 109.178 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.39 151.8 82.37 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.519 2.146 . . . . 75.22 111.706 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -45.42 -38.61 15.93 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 124.323 3.349 . . . . 64.0 115.422 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.9 -57.6 12.17 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 117.694 0.224 . . . . 64.24 110.879 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -66.64 -27.92 68.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.84 0.856 . . . . 64.32 111.026 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.52 -55.97 8.68 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.225 0.61 . . . . 72.43 110.289 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.49 -24.31 64.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.717 0.807 . . . . 73.33 111.536 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.458 ' HE1' HD21 ' A' ' 103' ' ' LEU . 54.5 t80 -61.64 -51.93 66.44 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.691 0.796 . . . . 54.42 110.151 175.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 80.8 m -82.69 -26.8 31.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.224 -0.898 . . . . 65.14 111.177 -175.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -80.39 84.63 5.99 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.078 -0.712 . . . . 75.41 109.078 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.476 HG11 ' HE2' ' A' ' 53' ' ' LYS . 16.1 m -124.12 -178.8 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.315 1.046 . . . . 75.21 109.482 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -65.13 154.28 38.42 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.274 0.63 . . . . 73.54 110.21 -176.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.555 ' HA ' HD12 ' A' ' 88' ' ' LEU . 54.2 tp60 -55.06 -50.11 88.34 Favored Pre-proline 0 CA--C 1.566 1.575 0 N-CA-C 113.438 0.903 . . . . 74.33 113.438 -171.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.478 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 34.4 Cg_exo -63.02 -37.04 55.74 Favored 'Trans proline' 0 C--N 1.387 2.561 0 C-N-CA 122.162 1.908 . . . . 73.13 113.0 172.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.0 m -63.26 -31.51 72.67 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.808 0.843 . . . . 61.5 111.202 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 85' ' ' GLN . 61.9 mt -60.54 -48.82 80.07 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.012 0.925 . . . . 70.43 110.767 173.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.439 ' CD2' HD13 ' B' ' 115' ' ' ILE . 56.6 m-85 -67.1 -30.97 71.14 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.682 -0.69 . . . . 75.21 111.293 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -64.6 -38.35 90.69 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.833 0.453 . . . . 74.14 111.34 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.478 HD23 HG23 ' A' ' 50' ' ' ILE . 97.4 mt -70.26 -34.45 72.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.063 0.545 . . . . 72.33 110.905 176.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 80.6 mt -66.7 -45.36 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.303 0.641 . . . . 73.12 110.178 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.75 -41.37 95.96 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.891 0.876 . . . . 71.52 110.793 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.2 74.76 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.481 0.713 . . . . 55.35 111.489 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.507 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.53 -29.06 63.25 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.912 0.485 . . . . 74.05 111.524 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -70.38 -44.35 68.21 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.935 0.894 . . . . 35.24 109.539 173.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.45 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 73.9 t80 -70.18 -36.73 74.87 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.578 1.151 . . . . 73.11 111.96 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 27' ' ' ILE . 96.5 mt -92.0 -7.67 48.22 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.618 0.767 . . . . 61.14 110.8 179.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.517 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER 66.4 22.61 10.73 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.538 1.135 . . . . 73.2 111.037 175.153 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.545 HG12 ' HA ' ' A' ' 24' ' ' SER . 33.6 mt -83.65 85.29 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 108.543 -0.91 . . . . 75.23 108.543 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -64.06 -37.96 31.33 Favored Pre-proline 0 CA--C 1.557 1.245 0 CA-C-N 114.238 -1.346 . . . . 73.23 112.804 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.446 ' O ' HG23 ' A' ' 106' ' ' VAL . 71.2 Cg_exo -47.85 -48.01 17.23 Favored 'Trans proline' 0 C--N 1.399 3.205 0 C-N-CA 122.362 2.042 . . . . 70.43 113.88 169.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.7 tm? -76.51 -41.21 47.74 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.175 0.59 . . . . 62.11 110.068 -178.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.542 HD21 HD21 ' B' ' 104' ' ' LEU . 64.0 tp -56.64 -43.93 80.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.354 1.062 . . . . 71.32 111.047 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.0 -48.48 78.63 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.135 0.897 . . . . 72.3 110.356 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 102' ' ' PRO . 87.0 t -60.2 -45.22 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.257 0.623 . . . . 74.31 111.216 -178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.1 m -68.64 -37.92 80.09 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.118 0.567 . . . . 53.32 111.386 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 82.8 m -67.79 -31.23 70.97 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.237 0.615 . . . . 71.13 110.919 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.33 -36.65 61.01 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.077 0.551 . . . . 75.33 110.481 175.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.5 m -64.6 -46.96 80.42 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.077 0.551 . . . . 45.33 110.957 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.28 -33.09 60.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.932 -0.576 . . . . 62.33 110.863 178.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.41 -31.3 67.09 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 123.199 0.6 . . . . 63.23 110.966 175.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -66.88 -36.91 83.38 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.036 0.534 . . . . 70.15 111.219 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 38.4 mtm -62.16 -34.33 76.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.576 0.75 . . . . 74.42 111.793 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 24.5 pt -94.75 -35.19 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 116.089 -0.505 . . . . 73.33 111.061 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 173.11 88.89 0.0 OUTLIER 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.699 1.599 . . . . 73.1 109.008 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 CA-C-O 119.431 -0.65 . . . . 63.14 112.868 169.107 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.294 -0.261 . . . . 31.42 110.294 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 75.4 mt -112.25 118.76 36.19 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.21 0.604 . . . . 73.2 110.105 -178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.1 m -93.08 137.83 21.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 109.066 -0.716 . . . . 74.53 109.066 171.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.595 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 92.2 mttt -95.09 121.85 37.16 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.658 -0.868 . . . . 61.24 108.658 -176.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.678 HD13 HD13 ' B' ' 27' ' ' ILE . 79.0 mt -120.62 100.75 7.31 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.008 0.523 . . . . 74.3 109.702 -175.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' B' ' 12' ' ' LYS . 1.7 mp0 -75.51 144.58 41.92 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.02 0.438 . . . . 71.42 109.849 173.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.9 p -83.11 -176.53 6.38 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.415 -0.811 . . . . 62.05 110.15 172.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.9 t -63.28 -28.2 69.86 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.567 0.747 . . . . 71.22 110.143 169.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.98 3.74 32.92 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.578 1.151 . . . . 73.14 111.198 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 68.65 14.29 9.0 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 125.13 1.372 . . . . 74.31 113.415 170.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' B' ' 7' ' ' GLU . 45.7 mmtm -77.97 126.9 31.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.785 0.434 . . . . 71.13 109.91 175.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.2 t -74.27 120.2 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.782 0.833 . . . . 74.45 110.003 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.48 ' CD1' HD12 ' B' ' 51' ' ' LEU . 96.6 m-85 -114.7 90.96 3.47 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.739 0.816 . . . . 75.33 109.067 174.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.575 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 41.3 mt-10 -71.61 104.7 3.4 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.169 -0.923 . . . . 70.11 109.279 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.447 HD12 ' HB3' ' B' ' 55' ' ' LEU . 14.9 tt -120.03 147.61 23.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 124.781 1.232 . . . . 60.41 108.345 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.499 ' HB3' HG13 ' B' ' 20' ' ' ILE . 31.9 tt0 -66.01 136.97 56.76 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 109.361 -0.607 . . . . 75.43 109.361 177.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.478 ' HG3' HD13 ' B' ' 31' ' ' ILE . 38.1 ttpt -59.45 -34.02 72.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.774 0.829 . . . . 73.14 111.59 -175.09 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -60.07 -36.81 78.18 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.238 1.015 . . . . 34.32 111.566 175.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.499 HG13 ' HB3' ' B' ' 17' ' ' GLU . 9.5 mt -80.94 -30.15 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.104 0.562 . . . . 65.03 110.055 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.67 -19.37 60.85 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.585 0.754 . . . . 72.32 111.414 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 93.0 m -73.01 -22.5 60.65 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.587 0.755 . . . . 74.53 111.519 173.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 83.1 mtp -62.89 -32.62 73.92 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 121.623 0.725 . . . . 71.32 110.284 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.568 ' HA ' HG12 ' B' ' 100' ' ' ILE . 37.5 t -81.55 112.24 18.59 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.027 -0.988 . . . . 75.02 108.413 171.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 41.9 t -64.85 -39.52 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.05 0.386 . . . . 62.22 110.765 -176.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' B' ' 30' ' ' MET . 97.2 m -60.96 -51.94 67.13 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.298 0.639 . . . . 74.54 111.44 178.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.678 HD13 HD13 ' B' ' 6' ' ' LEU . 82.4 mt -68.94 -35.47 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.25 0.62 . . . . 73.11 110.44 -177.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -58.34 -47.21 84.49 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.181 0.992 . . . . 75.21 110.192 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.39 -35.4 80.27 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.914 0.886 . . . . 73.3 111.183 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' B' ' 26' ' ' THR . 24.8 mmt -63.67 -47.61 80.56 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.828 0.451 . . . . 40.24 110.486 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.478 HD13 ' HG3' ' B' ' 18' ' ' LYS . 78.0 mt -65.83 -43.15 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 115.367 -0.833 . . . . 75.32 110.701 -177.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -71.79 -30.35 65.45 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.603 0.761 . . . . 74.05 111.878 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.45 -44.85 73.98 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.332 0.653 . . . . 60.43 110.623 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 64.2 mt -73.72 -21.87 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 CA-C-N 115.021 -0.991 . . . . 75.54 109.828 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.89 -73.96 2.56 Favored Glycine 0 C--N 1.347 1.157 0 N-CA-C 109.912 -1.275 . . . . 64.34 109.912 -175.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.75 96.67 5.72 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.9 -1.148 . . . . 75.53 107.9 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.413 ' HB2' ' HA ' ' B' ' 31' ' ' ILE . 26.3 t -79.79 82.04 5.95 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.009 0.433 . . . . 55.54 110.05 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.83 -32.42 65.49 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.513 -0.767 . . . . 71.53 109.143 173.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.4 m -74.22 138.81 75.34 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 114.92 -1.036 . . . . 61.33 109.091 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' PRO . . . . . 0.595 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 59.2 Cg_endo -69.57 143.6 52.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 C-N-CA 122.031 1.821 . . . . 65.42 111.258 174.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -97.19 105.17 22.89 Favored Pre-proline 0 CA--C 1.547 0.846 0 N-CA-C 109.479 -0.563 . . . . 71.43 109.479 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -80.82 145.86 16.18 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.184 1.922 . . . . 60.21 111.17 173.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.465 ' HB3' ' HE1' ' B' ' 97' ' ' TYR . 3.0 mm? -117.54 87.91 27.31 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 124.284 1.034 . . . . 63.05 108.318 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -80.45 63.99 8.83 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 123.337 2.691 . . . . 74.32 112.384 -175.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -158.37 -60.07 0.08 Allowed 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 114.868 -1.06 . . . . 72.3 108.862 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.44 HG11 HD23 ' B' ' 51' ' ' LEU . 6.9 p -83.28 130.43 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 CA-C-N 115.515 -0.766 . . . . 74.32 110.704 -176.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 76.0 p -73.3 168.5 19.05 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.781 0.832 . . . . 73.42 111.188 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.8 p -62.72 -46.58 87.44 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.907 0.706 . . . . 75.55 112.907 -172.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 39.4 p -65.41 -43.28 91.09 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.668 0.787 . . . . 64.55 111.525 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.481 HG23 HD23 ' B' ' 91' ' ' LEU . 51.1 mm -71.51 -42.85 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 115.908 -0.587 . . . . 71.32 110.572 -177.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.48 HD12 ' CD1' ' B' ' 14' ' ' PHE . 3.2 tm? -63.23 -37.56 87.71 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.921 0.888 . . . . 64.44 109.771 177.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.92 -51.79 68.53 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.927 0.767 . . . . 44.21 109.967 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.458 ' HE2' HG11 ' B' ' 83' ' ' VAL . 26.9 mtpp -58.83 -52.49 65.49 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.605 1.191 . . . . 74.02 111.595 -177.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.474 HG12 HD12 ' B' ' 100' ' ' ILE . 97.5 t -61.04 -41.88 90.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 123.079 0.552 . . . . 73.45 110.971 -174.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.447 ' HB3' HD12 ' B' ' 16' ' ' ILE . 43.2 mt -75.14 -28.71 60.28 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.387 0.514 . . . . 64.15 112.387 176.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.02 -33.44 65.75 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.179 0.592 . . . . 50.41 110.518 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -62.41 -41.77 98.94 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.166 0.587 . . . . 63.54 109.836 171.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.07 -35.98 82.52 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.218 -0.901 . . . . 75.23 111.215 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.05 -45.5 93.28 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.485 0.714 . . . . 64.31 110.376 174.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -59.24 -48.07 83.0 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.063 -0.972 . . . . 75.44 111.041 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -77.21 -18.62 57.58 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 123.547 0.53 . . . . 74.1 111.295 -174.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -68.3 -48.62 64.46 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.851 0.86 . . . . 72.1 110.559 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.11 -18.97 24.87 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.194 -0.912 . . . . 75.11 110.979 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 . . . . . 0 C--O 1.242 0.678 0 C-N-CA 124.838 1.255 . . . . 75.1 107.864 176.272 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 60.4 mt . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 108.978 -0.749 . . . . 52.52 108.978 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.8 151.55 84.01 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 122.596 2.198 . . . . 72.23 112.001 177.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -45.24 -38.5 14.83 Favored 'Trans proline' 0 C--N 1.385 2.481 0 C-N-CA 124.431 3.421 . . . . 63.31 115.555 -177.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.94 -57.82 11.23 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 117.701 0.228 . . . . 75.42 110.785 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.2 -28.18 68.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.8 0.84 . . . . 72.23 111.021 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.28 -56.28 8.01 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.837 -0.62 . . . . 75.32 110.152 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.07 -23.94 64.1 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.757 0.823 . . . . 62.3 111.626 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.468 ' HE1' HD21 ' B' ' 103' ' ' LEU . 54.3 t80 -61.3 -51.91 66.89 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.821 0.848 . . . . 74.41 110.123 174.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 80.8 m -83.05 -26.74 30.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.08 -0.964 . . . . 70.14 111.102 -175.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -80.38 84.49 6.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.554 0.692 . . . . 65.21 109.207 175.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.458 HG11 ' HE2' ' B' ' 53' ' ' LYS . 16.7 m -123.44 -178.48 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 114.657 -1.156 . . . . 70.11 109.607 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -65.04 153.35 40.98 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.604 0.761 . . . . 75.31 110.261 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.567 ' HA ' HD12 ' B' ' 88' ' ' LEU . 57.0 tp60 -54.79 -50.15 87.58 Favored Pre-proline 0 CA--C 1.567 1.609 0 C-N-CA 123.827 0.851 . . . . 71.24 113.23 -171.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.492 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 32.7 Cg_exo -63.26 -36.7 55.32 Favored 'Trans proline' 0 C--N 1.387 2.576 0 C-N-CA 122.339 2.026 . . . . 73.14 113.452 172.148 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 15.8 m -63.82 -31.56 72.77 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.825 0.85 . . . . 72.11 111.126 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' B' ' 85' ' ' GLN . 61.4 mt -60.22 -48.9 79.77 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.165 0.986 . . . . 74.04 110.54 173.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -66.75 -31.11 71.54 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.604 -0.726 . . . . 72.31 111.265 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -64.6 -38.41 90.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.964 0.506 . . . . 71.51 111.422 175.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.481 HD23 HG23 ' B' ' 50' ' ' ILE . 97.5 mt -70.39 -34.25 72.34 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.183 0.593 . . . . 63.43 111.017 176.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.03 -45.41 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.254 0.622 . . . . 71.42 110.24 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.76 -40.59 95.54 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.714 0.806 . . . . 71.13 110.773 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.05 -42.1 73.34 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.475 0.71 . . . . 65.24 111.423 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.508 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -73.08 -29.34 62.87 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.875 0.47 . . . . 73.23 111.522 -178.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -68.95 -45.83 69.73 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.832 0.853 . . . . 72.11 109.442 172.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' TYR . . . . . 0.465 ' HE1' ' HB3' ' B' ' 43' ' ' LEU . 71.3 t80 -69.3 -37.28 77.72 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.49 1.116 . . . . 65.12 111.92 -177.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.492 HD22 HD11 ' B' ' 27' ' ' ILE . 96.0 mt -91.46 -8.25 48.28 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.455 0.702 . . . . 73.05 110.767 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.521 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 0.7 OUTLIER 67.72 22.25 8.99 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.42 1.088 . . . . 70.0 110.947 174.366 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.568 HG12 ' HA ' ' B' ' 24' ' ' SER . 33.2 mt -84.17 85.54 2.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 108.552 -0.907 . . . . 70.44 108.552 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.89 -37.96 32.32 Favored Pre-proline 0 CA--C 1.562 1.415 0 CA-C-N 114.052 -1.431 . . . . 73.24 112.764 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' PRO . . . . . 0.439 ' O ' HG23 ' B' ' 106' ' ' VAL . 70.6 Cg_exo -48.25 -46.65 22.18 Favored 'Trans proline' 0 C--N 1.398 3.17 0 C-N-CA 122.601 2.201 . . . . 62.11 114.042 169.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.508 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.6 tm? -77.93 -41.19 37.19 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.23 0.612 . . . . 73.52 109.83 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.542 HD21 HD21 ' A' ' 104' ' ' LEU . 62.9 tp -57.2 -43.05 82.37 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.42 1.088 . . . . 75.21 111.027 -178.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.405 ' O ' ' HD3' ' B' ' 109' ' ' LYS . 25.7 t70 -63.01 -49.0 76.35 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 124.112 0.882 . . . . 64.31 110.427 -179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 102' ' ' PRO . 97.3 t -60.56 -44.84 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.286 0.634 . . . . 72.31 111.287 -178.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 19.2 m -68.78 -37.92 79.66 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.102 0.561 . . . . 51.43 111.366 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 97.2 m -67.49 -31.96 72.46 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.159 0.584 . . . . 72.45 110.743 177.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' B' ' 105' ' ' ASP . 1.0 OUTLIER -74.76 -36.53 62.57 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.073 0.549 . . . . 75.42 110.446 175.569 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.4 m -64.67 -46.76 81.08 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.03 0.532 . . . . 73.04 110.844 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 31.6 m -67.43 -32.97 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 116.154 -0.476 . . . . 63.15 110.902 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.22 -31.69 67.89 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.365 0.666 . . . . 61.12 110.863 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -67.66 -33.74 75.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.107 0.563 . . . . 75.33 111.766 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 38.6 mtm -65.47 -33.52 76.14 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.827 0.704 . . . . 34.11 111.612 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.439 HD13 ' CD2' ' A' ' 89' ' ' PHE . 25.8 pt -94.76 -35.17 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 116.264 -0.426 . . . . 64.34 111.193 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 . . . . . 0 C--N 1.355 0.819 0 C-N-CA 125.852 1.661 . . . . 74.32 108.773 179.258 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.3 mt . . . . . 0 CA--C 1.543 0.697 0 N-CA-C 110.613 -0.143 . . . . 75.22 110.613 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -85.3 131.83 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.748 -0.834 . . . . 74.43 108.748 168.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 85.5 mttt -103.38 125.21 49.86 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.961 -0.755 . . . . 74.34 108.961 -172.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -119.78 96.9 5.37 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.311 0.644 . . . . 74.52 109.596 -172.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -75.14 109.08 8.33 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.28 -0.637 . . . . 63.25 109.28 174.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.9 p -63.64 -175.22 0.12 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.013 0.925 . . . . 74.43 112.044 175.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 t -57.27 -30.73 64.92 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.751 0.821 . . . . 53.21 111.055 172.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.54 ' HB2' ' HB3' ' A' ' 48' ' ' SER . 6.3 m-20 -89.58 9.4 26.92 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.265 1.026 . . . . 74.21 111.77 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 62.19 20.6 11.84 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.33 1.052 . . . . 71.33 112.415 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -79.34 120.97 24.53 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.697 -0.853 . . . . 63.42 108.697 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.1 t -76.89 96.31 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.065 0.946 . . . . 51.11 109.708 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -85.97 89.62 7.85 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.396 0.617 . . . . 74.34 110.473 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -77.5 101.94 6.69 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.73 -1.123 . . . . 53.44 108.862 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' A' ' 55' ' ' LEU . 19.4 tt -131.84 151.89 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 108.901 -0.777 . . . . 63.43 108.901 -178.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -59.57 136.74 58.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 122.985 0.514 . . . . 74.23 111.11 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 18' ' ' LYS . 31.7 ttpt -56.97 -39.77 75.23 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.426 1.09 . . . . 74.01 111.224 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -52.34 -37.86 57.15 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.532 1.133 . . . . 75.41 111.567 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.519 HG21 HD11 ' A' ' 16' ' ' ILE . 32.6 mt -74.56 -42.12 48.77 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 114.555 -1.202 . . . . 72.13 109.903 -177.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -10.16 59.19 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.739 0.816 . . . . 73.44 112.499 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -73.36 -25.85 60.76 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.276 0.63 . . . . 63.44 111.529 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.483 ' SD ' ' ND1' ' A' ' 61' ' ' HIS . 46.0 mtm -69.84 -33.58 72.5 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.203 0.525 . . . . 73.42 110.097 175.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 t -69.25 108.18 3.55 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.744 -1.116 . . . . 60.0 108.303 168.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.437 ' HB ' ' HB2' ' A' ' 99' ' ' ASP . 65.5 t -59.44 -41.6 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.577 0.751 . . . . 52.35 110.476 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 m -65.09 -52.5 55.15 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.914 0.885 . . . . 64.14 112.28 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.409 HG13 HD22 ' A' ' 98' ' ' LEU . 83.0 mt -63.52 -42.73 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 109.979 -0.378 . . . . 63.0 109.979 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -60.38 -44.84 95.26 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.484 0.714 . . . . 74.25 110.8 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -67.8 -30.59 70.06 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.47 0.482 . . . . 70.24 111.473 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.6 mtt -66.84 -42.01 86.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.053 0.541 . . . . 71.03 110.627 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.9 mt -63.21 -47.97 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 123.525 0.73 . . . . 64.14 109.754 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.42 -36.06 82.93 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.884 0.873 . . . . 43.34 111.803 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.84 -43.05 80.44 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.793 0.837 . . . . 74.01 110.753 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.7 mt -70.55 -28.55 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-N 115.398 -0.819 . . . . 73.52 109.707 174.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.1 14.93 53.68 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 116.129 -0.487 . . . . 61.11 112.172 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 70.46 97.84 0.06 Allowed 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.733 1.613 . . . . 74.11 110.742 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.4 p -114.91 -177.95 3.25 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.133 0.973 . . . . 61.41 109.2 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -82.18 -11.29 58.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.189 0.596 . . . . 75.4 110.368 173.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -60.33 130.24 89.5 Favored Pre-proline 0 C--N 1.357 0.932 0 C-N-CA 123.976 0.91 . . . . 71.13 110.368 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.545 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.0 Cg_endo -68.86 160.03 51.4 Favored 'Trans proline' 0 C--N 1.365 1.434 0 C-N-CA 122.734 2.29 . . . . 62.02 111.609 175.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -107.98 94.04 11.98 Favored Pre-proline 0 CA--C 1.55 0.975 0 N-CA-C 107.769 -1.196 . . . . 73.44 107.769 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -71.82 128.41 14.14 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.592 2.195 . . . . 65.42 110.943 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.3 mt -109.4 83.81 2.69 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 124.06 0.944 . . . . 52.23 108.55 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -79.79 -3.13 12.64 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.585 2.19 . . . . 72.22 112.791 -172.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -78.96 -50.2 11.53 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.191 0.996 . . . . 73.45 109.672 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.18 137.1 22.22 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.369 0.668 . . . . 75.13 110.467 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -76.08 171.25 14.78 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.787 0.835 . . . . 73.23 111.04 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.54 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 67.5 p -70.49 -48.16 57.07 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.817 0.673 . . . . 34.41 112.817 -171.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.1 p -62.72 -38.96 92.51 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.277 0.631 . . . . 73.43 110.859 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.432 HG23 HD23 ' A' ' 91' ' ' LEU . 49.7 mm -73.54 -47.79 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.592 -0.731 . . . . 60.23 110.218 -178.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 44.0 tp -61.49 -34.19 75.06 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.899 0.749 . . . . 55.43 110.548 178.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.93 -53.63 56.24 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.458 0.703 . . . . 65.21 109.812 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -62.86 -40.51 97.71 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.544 -0.753 . . . . 72.33 111.349 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.453 ' HA ' HD11 ' A' ' 103' ' ' LEU . 56.0 t -57.77 -40.25 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.292 0.637 . . . . 75.02 110.225 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.576 ' HB3' HD12 ' A' ' 16' ' ' ILE . 71.0 mt -74.67 -31.62 61.97 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.166 -0.925 . . . . 75.02 111.954 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -70.8 -37.56 73.27 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.187 0.595 . . . . 75.15 111.918 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -67.18 -40.98 86.66 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 121.128 0.49 . . . . 72.23 109.993 173.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.637 ' SG ' HD13 ' A' ' 100' ' ' ILE . 99.1 m -64.71 -34.88 79.34 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.639 -0.71 . . . . 53.1 111.093 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -64.48 -41.09 96.69 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.39 0.676 . . . . 73.5 109.945 173.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -56.59 -39.17 73.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.648 0.779 . . . . 65.34 110.955 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.483 ' ND1' ' SD ' ' A' ' 23' ' ' MET . 58.6 t-80 -74.47 -29.24 61.37 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.607 0.567 . . . . 73.04 111.641 179.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -79.11 -27.72 42.92 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 122.151 -0.343 . . . . 54.13 110.842 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -80.53 -36.24 33.4 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.504 0.722 . . . . 74.04 110.222 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 . . . . . 0 N--CA 1.477 0.885 0 C-N-CA 124.6 1.16 . . . . 73.13 107.963 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.0 mt . . . . . 0 CA--C 1.547 0.862 0 N-CA-C 109.141 -0.688 . . . . 54.23 109.141 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -77.85 130.63 10.62 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.611 2.207 . . . . 74.43 110.955 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -48.55 -38.57 36.03 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 123.784 2.989 . . . . 71.44 114.055 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -58.31 -55.21 37.94 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.662 0.785 . . . . 72.24 111.58 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.27 -27.42 65.41 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.471 0.708 . . . . 75.0 111.441 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -66.91 -49.12 66.57 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.122 0.569 . . . . 71.42 110.451 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -67.54 -24.94 65.6 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.333 0.653 . . . . 65.13 111.694 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -63.15 -44.48 95.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.774 0.829 . . . . 63.54 110.494 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.7 m -74.78 -12.84 60.5 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.309 -0.86 . . . . 61.22 111.838 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -79.16 83.23 5.24 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 121.257 0.551 . . . . 63.34 109.995 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 m -132.42 169.51 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.604 1.161 . . . . 74.42 108.877 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -75.82 170.08 16.91 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.826 0.45 . . . . 74.43 110.046 -177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -61.29 -52.1 73.3 Favored Pre-proline 0 CA--C 1.562 1.409 0 N-CA-C 113.544 0.942 . . . . 74.31 113.544 -172.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 31.3 Cg_endo -60.43 -35.41 90.91 Favored 'Trans proline' 0 C--N 1.391 2.782 0 C-N-CA 121.716 1.611 . . . . 75.2 111.583 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.4 m -66.96 -32.15 73.21 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.374 1.07 . . . . 70.21 111.487 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.4 mt -60.4 -48.85 79.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.878 0.871 . . . . 74.43 110.12 172.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -66.16 -31.53 72.43 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 115.5 -0.773 . . . . 74.32 111.643 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 37.4 mm-40 -66.12 -37.84 86.71 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.12 0.568 . . . . 74.35 111.049 176.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.448 ' HB2' HG21 ' A' ' 107' ' ' THR . 95.7 mt -70.75 -34.77 72.19 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.148 0.579 . . . . 44.22 110.924 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.02 -48.54 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.357 0.663 . . . . 53.54 109.685 173.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.58 -44.21 94.74 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.754 0.822 . . . . 74.34 111.057 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.1 73.14 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.504 0.722 . . . . 72.12 111.773 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.479 ' HB2' HD22 ' A' ' 103' ' ' LEU . . . -68.4 -37.68 80.59 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.986 0.514 . . . . 70.43 111.258 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -69.65 -38.52 77.17 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.496 0.718 . . . . 75.04 110.781 175.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.66 -33.4 75.86 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.348 1.059 . . . . 75.2 111.187 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.417 HD12 HG11 ' A' ' 54' ' ' VAL . 85.7 mt -99.5 -5.54 29.11 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.319 0.648 . . . . 74.12 111.764 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.437 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 3.1 m-20 59.13 30.06 19.75 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.636 1.174 . . . . 73.11 112.05 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.637 HD13 ' SG ' ' A' ' 58' ' ' CYS . 66.1 mt -78.84 87.94 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.585 0 N-CA-C 108.176 -1.046 . . . . 51.15 108.176 173.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.04 -44.2 99.59 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 117.746 -1.121 . . . . 73.15 113.551 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -52.79 -52.94 7.71 Favored 'Trans proline' 0 C--N 1.392 2.849 0 C-N-CA 122.111 1.874 . . . . 55.11 113.447 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 95' ' ' ALA . 5.2 tt -65.49 -46.2 80.64 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.369 0.668 . . . . 61.41 110.364 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.869 HD21 HD21 ' B' ' 104' ' ' LEU . 57.2 tp -59.79 -41.42 91.14 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.997 0.919 . . . . 73.05 111.486 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -60.53 -50.67 72.62 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.19 0.996 . . . . 71.32 110.231 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.94 -50.69 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.374 -0.83 . . . . 63.54 111.362 -178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.448 HG21 ' HB2' ' A' ' 91' ' ' LEU . 25.3 m -70.68 -35.79 73.0 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 112.353 0.501 . . . . 70.32 112.353 -171.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.5 m -65.02 -35.37 80.96 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.734 0.414 . . . . 62.24 110.295 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -76.01 -31.39 58.9 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.121 0.569 . . . . 52.42 111.657 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -63.78 -47.2 81.88 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.326 0.65 . . . . 73.24 110.579 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.0 m -65.44 -32.52 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 116.098 -0.501 . . . . 63.53 110.684 176.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.58 -26.96 62.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.408 0.683 . . . . 45.44 111.968 176.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 116' ' ' ARG . 33.6 m-80 -70.55 -25.3 63.04 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.938 0.495 . . . . 63.41 111.781 177.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 54.4 mtm -71.83 -36.73 70.29 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.299 0.571 . . . . 65.03 110.966 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 43.2 pt -100.21 3.79 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.055 0.942 . . . . 51.02 111.467 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.467 ' HB2' ' HA ' ' A' ' 113' ' ' ASN . 63.8 ttt-85 -51.89 71.25 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 126.828 2.051 . . . . 72.13 114.734 -169.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 2.255 0 C-N-CA 124.943 1.259 . . . . 75.23 115.697 179.429 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.986 0.422 . . . . 54.04 110.543 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.8 mt -83.43 117.35 23.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.779 0.432 . . . . 74.52 110.579 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 26.1 m -85.16 131.27 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 108.746 -0.835 . . . . 60.1 108.746 168.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.483 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 87.0 mttt -103.09 125.6 49.88 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.11 -0.7 . . . . 62.2 109.11 -172.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -119.85 97.21 5.51 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.527 0.731 . . . . 74.42 109.707 -172.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.13 109.55 8.71 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.374 -0.602 . . . . 62.41 109.374 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 34.9 p -64.33 -175.17 0.15 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.987 0.915 . . . . 74.33 112.095 176.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -58.16 -29.92 65.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.788 0.835 . . . . 75.51 111.015 172.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.554 ' HB2' ' HB3' ' B' ' 48' ' ' SER . 4.6 m-20 -89.46 9.62 25.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.272 1.029 . . . . 75.0 111.929 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 62.95 18.39 10.82 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.568 1.147 . . . . 64.15 112.907 175.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -77.86 121.39 24.05 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.754 -0.832 . . . . 74.4 108.754 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.06 95.58 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 O-C-N 124.18 0.925 . . . . 70.33 109.935 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -85.62 89.56 7.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.421 0.689 . . . . 73.0 110.509 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -78.42 100.33 6.77 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.616 -1.175 . . . . 55.44 109.079 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.559 HD12 ' HB3' ' B' ' 55' ' ' LEU . 19.6 tt -129.97 151.77 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 108.962 -0.755 . . . . 65.13 108.962 -178.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -59.68 136.65 58.06 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.153 0.581 . . . . 63.43 111.078 -178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' B' ' 18' ' ' LYS . 31.1 ttpt -56.51 -39.76 73.85 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.37 1.068 . . . . 71.44 111.541 -178.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.49 -38.79 60.25 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.493 1.117 . . . . 64.13 111.382 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ILE . . . . . 0.518 HG21 HD11 ' B' ' 16' ' ' ILE . 33.8 mt -73.24 -42.26 58.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-N 114.515 -1.221 . . . . 71.3 110.017 -177.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.16 -10.78 59.68 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 115.352 -0.84 . . . . 73.43 112.59 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 83.1 m -73.34 -25.17 60.51 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.1 0.56 . . . . 74.12 111.484 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' MET . . . . . 0.478 ' SD ' ' ND1' ' B' ' 61' ' ' HIS . 50.1 mtm -70.38 -33.34 71.29 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.281 0.562 . . . . 72.45 110.12 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.2 t -69.16 108.06 3.46 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.736 -1.12 . . . . 32.32 108.132 168.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' B' ' 99' ' ' ASP . 66.5 t -59.44 -41.07 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.578 0.751 . . . . 72.42 110.495 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 32.6 m -65.34 -52.74 51.84 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.711 0.804 . . . . 71.22 112.232 -176.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.403 HG13 HD22 ' B' ' 98' ' ' LEU . 83.1 mt -63.46 -42.73 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 122.712 0.405 . . . . 71.42 109.949 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -60.29 -45.04 94.74 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.381 0.673 . . . . 63.12 110.68 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -66.57 -32.0 73.06 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.483 0.49 . . . . 75.02 111.816 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.5 mtt -66.54 -41.63 88.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.654 0.596 . . . . 70.21 110.457 175.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.03 -48.43 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 C-N-CA 123.364 0.666 . . . . 62.02 109.839 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.58 -35.58 81.45 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.915 0.886 . . . . 50.25 111.684 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.47 -43.45 80.97 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.164 0.986 . . . . 72.3 110.746 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -71.3 -27.35 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.283 -0.871 . . . . 65.32 109.91 174.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.16 18.43 49.99 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 116.021 -0.536 . . . . 42.44 112.078 -176.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 68.4 97.02 0.06 Allowed 'General case' 0 C--N 1.351 0.655 0 C-N-CA 125.717 1.607 . . . . 65.01 111.224 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 59.4 p -113.69 -178.78 3.46 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.452 1.101 . . . . 73.22 109.204 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -83.0 -11.5 58.06 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.969 -0.559 . . . . 75.34 110.378 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -60.23 132.69 90.31 Favored Pre-proline 0 C--N 1.358 0.935 0 C-N-CA 124.073 0.949 . . . . 62.54 110.557 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' PRO . . . . . 0.483 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 60.9 Cg_endo -70.7 161.19 46.93 Favored 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 122.943 2.428 . . . . 73.13 111.74 176.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.65 93.54 12.25 Favored Pre-proline 0 CA--C 1.551 0.982 0 N-CA-C 107.635 -1.246 . . . . 71.21 107.635 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.83 127.17 12.69 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.564 2.176 . . . . 52.22 111.056 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.8 mt -108.39 84.28 2.27 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 124.055 0.942 . . . . 73.05 108.794 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -79.95 -3.18 12.61 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 122.564 2.176 . . . . 65.23 112.841 -173.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -78.1 -50.8 11.33 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.123 0.969 . . . . 71.44 109.414 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.25 136.83 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.533 0.733 . . . . 73.11 110.534 -176.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 70.6 p -75.83 171.45 14.37 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.774 0.83 . . . . 65.23 111.192 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.554 ' HB3' ' HB2' ' B' ' 10' ' ' ASP . 61.4 p -69.94 -48.5 58.19 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.236 0.614 . . . . 71.2 112.635 -171.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 55.1 p -63.24 -38.3 90.61 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.184 0.593 . . . . 75.24 110.958 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.425 HG23 HD23 ' B' ' 91' ' ' LEU . 50.7 mm -74.03 -47.66 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 115.398 -0.819 . . . . 74.23 110.092 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 44.5 tp -61.65 -33.95 74.85 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.964 0.79 . . . . 63.3 110.652 178.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.93 -53.86 53.68 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.399 0.68 . . . . 63.31 109.688 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -62.67 -40.59 97.55 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 123.909 0.756 . . . . 64.22 111.387 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.459 ' HA ' HD11 ' B' ' 103' ' ' LEU . 55.7 t -57.67 -40.37 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.219 0.608 . . . . 74.43 110.275 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.559 ' HB3' HD12 ' B' ' 16' ' ' ILE . 71.3 mt -74.48 -31.54 62.26 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.293 -0.867 . . . . 63.13 111.91 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -70.66 -37.62 73.71 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.222 0.609 . . . . 74.33 111.901 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -67.41 -40.78 85.59 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.061 0.544 . . . . 71.42 110.025 173.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' B' ' 100' ' ' ILE . 98.3 m -64.8 -35.17 80.23 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.576 -0.738 . . . . 74.02 110.95 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.55 -40.79 96.23 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.417 0.687 . . . . 71.54 110.072 173.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -56.91 -39.23 74.06 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.54 0.736 . . . . 64.42 110.842 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' HIS . . . . . 0.478 ' ND1' ' SD ' ' B' ' 23' ' ' MET . 57.0 t-80 -74.29 -29.94 61.86 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.979 -0.555 . . . . 72.24 111.565 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -78.27 -29.11 47.84 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 120.937 0.398 . . . . 43.51 111.033 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -78.5 -36.92 44.34 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.668 0.787 . . . . 74.3 110.376 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 108.05 -1.093 . . . . 74.42 108.05 -179.932 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 108.981 -0.748 . . . . 71.41 108.981 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -77.36 130.66 11.11 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.56 2.174 . . . . 72.42 111.108 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -48.57 -39.42 37.17 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 123.782 2.988 . . . . 72.14 113.713 176.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -58.0 -54.83 42.51 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.718 0.807 . . . . 63.32 111.645 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.75 -27.6 66.06 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.372 0.669 . . . . 63.13 111.549 -175.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 52.1 ttt-85 -67.14 -49.54 64.45 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.024 0.53 . . . . 73.32 110.213 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.72 -24.0 65.33 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.527 0.731 . . . . 74.14 111.442 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.92 -45.5 88.98 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.736 0.815 . . . . 75.32 110.398 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.51 -13.17 61.0 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.179 -0.919 . . . . 73.42 111.719 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -78.5 83.4 4.7 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 121.143 0.496 . . . . 73.44 110.123 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.62 169.9 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.517 1.127 . . . . 71.41 109.014 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -76.77 170.05 17.17 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.003 0.521 . . . . 65.14 109.905 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.83 -52.7 70.52 Favored Pre-proline 0 N--CA 1.488 1.443 0 N-CA-C 113.617 0.969 . . . . 75.01 113.617 -172.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.412 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 31.1 Cg_endo -60.34 -35.74 90.1 Favored 'Trans proline' 0 C--N 1.389 2.691 0 C-N-CA 121.887 1.725 . . . . 60.25 111.624 175.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 16.1 m -67.07 -31.93 72.76 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.329 1.052 . . . . 73.24 111.42 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.95 -49.21 78.57 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.982 0.913 . . . . 72.21 109.989 172.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -66.17 -31.5 72.37 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 115.588 -0.733 . . . . 74.1 111.76 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 33.6 mm-40 -66.4 -37.29 84.9 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.509 0.506 . . . . 43.22 110.925 176.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.445 ' HB2' HG21 ' B' ' 107' ' ' THR . 95.6 mt -70.87 -34.75 71.94 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.19 0.596 . . . . 73.54 110.787 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.99 -48.41 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.354 0.662 . . . . 71.34 109.811 173.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.65 -44.52 93.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.864 0.866 . . . . 54.43 111.039 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.57 -43.85 75.67 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.932 0.77 . . . . 41.12 111.695 -176.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.482 ' HB2' HD22 ' B' ' 103' ' ' LEU . . . -68.99 -37.71 78.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.1 -0.5 . . . . 63.42 111.419 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -70.11 -37.59 75.4 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.535 0.734 . . . . 74.45 111.168 175.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.36 -32.33 73.92 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.351 1.06 . . . . 74.32 111.076 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.432 HD12 HG11 ' B' ' 54' ' ' VAL . 85.4 mt -100.65 -5.24 26.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.115 0.566 . . . . 72.15 111.914 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 99' ' ' ASP . . . . . 0.454 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 3.2 m-20 59.27 29.28 18.82 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.683 1.193 . . . . 73.45 112.169 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.643 HD13 ' SG ' ' B' ' 58' ' ' CYS . 65.7 mt -78.3 87.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.444 0 N-CA-C 108.24 -1.022 . . . . 72.31 108.24 173.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -55.51 -44.9 99.89 Favored Pre-proline 0 CA--C 1.562 1.405 0 CA-C-O 117.575 -1.202 . . . . 73.24 113.403 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.59 -52.72 8.24 Favored 'Trans proline' 0 C--N 1.393 2.92 0 C-N-CA 122.2 1.933 . . . . 51.24 113.639 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.482 HD22 ' HB2' ' B' ' 95' ' ' ALA . 5.3 tt -65.61 -46.61 78.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.358 0.663 . . . . 62.12 110.414 -177.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 104' ' ' LEU . 56.2 tp -59.5 -41.56 90.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.97 0.908 . . . . 74.31 111.56 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.54 -49.91 75.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.118 0.967 . . . . 65.33 110.348 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.49 -50.72 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.38 -0.827 . . . . 72.21 111.53 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' THR . . . . . 0.445 HG21 ' HB2' ' B' ' 91' ' ' LEU . 26.0 m -70.63 -35.72 73.08 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.901 0.48 . . . . 43.2 112.205 -171.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 70.8 m -65.11 -34.69 78.99 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.793 0.437 . . . . 71.22 110.586 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -76.49 -31.79 57.94 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.18 0.592 . . . . 55.53 111.695 174.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 97.1 m -63.28 -47.52 81.97 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.332 0.653 . . . . 74.14 110.355 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 m -65.66 -32.67 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 CA-C-N 115.916 -0.584 . . . . 72.23 110.75 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.64 -26.88 62.73 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.433 0.693 . . . . 73.53 111.677 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -70.85 -25.17 62.7 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.961 0.504 . . . . 74.54 111.836 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 54.3 mtm -71.3 -36.6 71.69 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.203 0.525 . . . . 73.14 110.626 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.7 pt -102.17 5.18 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 C-N-CA 124.545 1.138 . . . . 74.44 112.112 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 . . . . . 0 N--CA 1.499 1.99 0 N-CA-C 118.058 2.614 . . . . 75.42 118.058 -162.334 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.4 mt . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 110.431 -0.211 . . . . 74.41 110.431 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.6 m -79.31 127.02 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 121.612 0.72 . . . . 73.45 109.57 174.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.512 ' HB3' HG13 ' A' ' 13' ' ' VAL . 90.9 mttt -88.74 113.69 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.071 -0.968 . . . . 75.21 109.469 -172.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.563 HD13 HD13 ' A' ' 27' ' ' ILE . 62.6 mt -115.63 103.73 11.0 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.656 -0.868 . . . . 62.52 108.656 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.669 ' HB2' ' HB3' ' A' ' 42' ' ' PRO . 6.1 mp0 -76.72 150.35 36.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.219 0.533 . . . . 71.42 110.028 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.5 p -89.39 -174.39 4.36 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.7 0.8 . . . . 73.04 111.22 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.6 t -57.91 -33.02 68.31 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.565 0.746 . . . . 55.43 110.295 167.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.61 1.73 40.8 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.433 1.093 . . . . 62.1 111.908 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 64.91 20.86 12.23 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.816 1.247 . . . . 73.25 112.22 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -80.1 123.57 27.99 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.343 -0.614 . . . . 74.41 109.343 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.512 HG13 ' HB3' ' A' ' 5' ' ' LYS . 96.5 t -75.89 103.74 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.466 1.106 . . . . 75.44 110.92 -172.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -94.76 94.01 7.84 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.352 -0.61 . . . . 73.13 109.352 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 33.6 mt-10 -74.41 79.74 1.89 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.049 -0.978 . . . . 72.34 108.709 178.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 tp -91.36 146.71 5.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.15 -0.932 . . . . 71.44 108.864 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.58 135.1 55.63 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 108.633 -0.877 . . . . 63.13 108.633 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -61.64 -35.33 77.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.593 0.757 . . . . 75.44 112.768 -166.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -72.53 -26.92 61.94 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.867 0.467 . . . . 74.23 110.759 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mt -73.25 -35.66 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-O 121.158 0.504 . . . . 72.11 109.729 172.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -25.18 63.64 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.216 0.607 . . . . 54.51 110.83 173.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.492 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 78.3 m -75.82 -28.31 58.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.273 0.629 . . . . 62.4 111.35 173.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.8 mtp -61.81 -33.11 73.55 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.407 0.622 . . . . 71.23 109.945 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.528 ' HA ' HG12 ' A' ' 100' ' ' ILE . 37.6 t -73.72 104.2 4.56 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.924 -1.139 . . . . 72.43 107.924 164.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.52 -38.23 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 122.547 0.339 . . . . 73.23 111.571 -171.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.4 m -61.05 -48.66 80.71 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.943 0.497 . . . . 72.35 111.481 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.563 HD13 HD13 ' A' ' 6' ' ' LEU . 75.3 mt -66.18 -39.26 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 122.714 0.406 . . . . 75.22 110.042 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 22.7 ttpp -57.04 -46.72 82.2 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.966 0.906 . . . . 75.31 110.812 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.42 -43.66 98.49 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.119 0.887 . . . . 74.14 110.323 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.6 mtt -58.96 -46.06 89.0 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.988 0.805 . . . . 72.31 110.649 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.55 -46.82 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.802 0.841 . . . . 75.12 110.163 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.89 -40.46 97.6 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.525 0.73 . . . . 65.32 111.876 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -64.23 -44.05 93.05 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.9 0.48 . . . . 72.03 111.014 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.95 -28.58 33.93 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.517 -0.765 . . . . 61.34 110.488 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.67 24.28 16.18 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 116.476 -0.329 . . . . 60.52 112.446 -177.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 67.44 92.07 0.08 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.808 1.643 . . . . 74.34 111.06 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.6 p -108.43 163.17 13.45 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.503 0.721 . . . . 54.11 111.006 -177.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -18.97 51.89 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.859 0.864 . . . . 54.33 110.394 173.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.0 p -57.42 125.83 72.89 Favored Pre-proline 0 CA--C 1.551 1.001 0 O-C-N 124.226 0.954 . . . . 70.04 111.784 -175.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.7 Cg_endo -69.54 135.18 30.3 Favored 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 122.51 2.14 . . . . 63.42 111.528 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.8 mm -107.43 97.45 19.4 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 122.972 0.509 . . . . 72.53 109.647 -175.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.669 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 74.4 Cg_endo -75.38 131.42 13.85 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 122.386 2.057 . . . . 62.43 111.911 175.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.03 96.33 6.71 Favored Pre-proline 0 CA--C 1.553 1.061 0 N-CA-C 108.409 -0.96 . . . . 63.41 108.409 172.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -76.22 -9.47 19.08 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 122.83 2.353 . . . . 53.11 113.425 -174.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -70.61 -52.22 22.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.713 0.805 . . . . 63.24 110.501 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.407 HG11 HD13 ' A' ' 51' ' ' LEU . 9.0 p -89.99 135.68 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 115.593 -0.73 . . . . 53.22 110.056 -174.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.7 p -78.91 172.66 13.47 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.363 0.665 . . . . 70.44 111.092 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.3 p -65.22 -48.28 73.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.496 0.718 . . . . 72.3 112.356 -173.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.5 m -63.7 -45.37 90.32 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.788 0.68 . . . . 63.52 111.266 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.2 mm -70.48 -44.23 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 122.457 0.303 . . . . 71.51 110.229 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.407 HD13 HG11 ' A' ' 46' ' ' VAL . 49.7 tp -61.9 -40.49 95.64 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.046 0.539 . . . . 75.12 110.34 178.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.99 -49.84 76.35 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 123.839 0.712 . . . . 62.44 110.417 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -66.98 -42.31 85.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 124.34 1.025 . . . . 64.31 111.919 -176.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.37 -38.45 80.83 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 N-CA-C 109.889 -0.411 . . . . 73.34 109.889 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.73 -30.16 65.31 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.856 0.462 . . . . 72.2 111.084 173.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -71.12 -35.98 71.96 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.71 0.804 . . . . 63.31 109.772 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -68.22 -43.34 78.18 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 115.696 -0.684 . . . . 71.15 109.789 170.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.646 ' SG ' HD13 ' A' ' 100' ' ' ILE . 78.3 m -61.87 -31.26 71.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 122.363 0.265 . . . . 72.53 111.001 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 24.5 mtp180 -66.02 -49.3 68.21 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.902 0.881 . . . . 72.03 109.792 171.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -54.4 -46.63 73.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.483 1.113 . . . . 73.12 111.812 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -80.26 -15.62 56.54 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.627 0.771 . . . . 72.01 111.011 -176.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -79.61 -47.23 15.79 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.438 0.695 . . . . 74.13 110.01 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 16.2 mm100 -72.29 -30.45 64.82 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.342 -0.845 . . . . 64.55 110.155 -178.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 124.059 0.944 . . . . 71.22 108.929 175.431 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.2 mt . . . . . 1 N--CA 1.603 7.199 0 N-CA-C 113.338 0.866 . . . . 74.44 113.338 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -95.64 141.72 1.05 Allowed 'Trans proline' 0 C--N 1.396 3.05 0 C-N-CA 121.483 1.456 . . . . 63.11 111.992 169.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.68 -22.52 64.23 Favored 'Trans proline' 0 CA--C 1.551 1.347 0 C-N-CA 122.239 1.959 . . . . 71.34 111.732 169.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -56.78 -54.22 48.82 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.529 1.531 . . . . 73.53 111.394 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -71.38 -22.86 61.83 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.216 -0.902 . . . . 32.1 112.056 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -60.72 -41.56 95.53 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 109.977 -0.379 . . . . 61.42 109.977 173.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.78 -38.73 87.14 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 123.689 0.618 . . . . 53.33 110.873 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.507 ' CZ ' HD21 ' A' ' 103' ' ' LEU . 61.0 t80 -59.26 -41.15 88.13 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.577 0.751 . . . . 73.34 110.818 175.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.97 -2.53 21.39 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.84 0.856 . . . . 74.51 112.603 -174.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -77.17 83.71 3.65 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 121.734 0.778 . . . . 75.24 109.505 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.519 HG11 HD11 ' A' ' 91' ' ' LEU . 15.9 m -134.11 162.04 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.021 1.328 . . . . 54.23 109.216 -177.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.49 172.62 10.85 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.237 -1.023 . . . . 75.1 108.237 169.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.421 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 23.1 tp60 -61.81 -49.84 84.21 Favored Pre-proline 0 CA--C 1.568 1.666 0 CA-C-O 118.303 -0.856 . . . . 72.22 112.446 -175.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.421 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 49.3 Cg_exo -58.71 -41.1 66.93 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 122.064 1.843 . . . . 72.51 112.584 173.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.9 m -65.43 -30.24 71.01 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.083 0.953 . . . . 72.5 111.567 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.03 -44.96 87.4 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.008 0.923 . . . . 75.23 108.941 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.471 ' HE1' ' HE1' ' B' ' 89' ' ' PHE . 35.3 m-85 -68.23 -30.61 69.72 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.529 -0.76 . . . . 73.22 111.549 177.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -60.02 -35.88 76.02 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.016 0.526 . . . . 71.32 111.367 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.519 HD11 HG11 ' A' ' 83' ' ' VAL . 82.9 mt -67.73 -39.04 84.31 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.427 0.691 . . . . 61.21 110.5 176.217 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.7 -42.81 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.631 0.772 . . . . 73.54 110.301 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.22 -43.15 87.52 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.135 0.974 . . . . 73.21 110.673 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.66 -37.26 70.82 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.613 0.765 . . . . 70.22 111.448 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.61 -32.54 66.02 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.833 0.453 . . . . 64.25 111.568 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -75.37 -37.8 60.4 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.253 0.621 . . . . 73.24 110.022 175.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -66.57 -46.69 75.18 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.812 0.845 . . . . 61.45 111.125 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.405 HD22 HD11 ' A' ' 27' ' ' ILE . 98.8 mt -89.26 -7.41 55.51 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.686 0.794 . . . . 52.44 111.567 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.8 t0 61.5 34.12 18.16 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.673 1.189 . . . . 72.25 110.991 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.646 HD13 ' SG ' ' A' ' 58' ' ' CYS . 36.8 mt -87.61 80.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.429 0 N-CA-C 108.254 -1.017 . . . . 74.23 108.254 174.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.5 -37.12 38.24 Favored Pre-proline 0 CA--C 1.554 1.099 0 CA-C-N 114.212 -1.358 . . . . 72.32 113.518 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -46.96 -42.54 25.35 Favored 'Trans proline' 0 C--N 1.397 3.101 0 C-N-CA 121.866 1.711 . . . . 61.14 113.091 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.2 tm? -79.62 -43.64 22.5 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.987 -0.375 . . . . 73.02 109.987 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.415 HD21 HD21 ' B' ' 104' ' ' LEU . 59.2 tp -55.65 -44.58 77.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.064 0.946 . . . . 72.11 111.269 -177.084 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -70.28 -42.74 71.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.058 0.849 . . . . 73.01 111.04 -175.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.0 t -61.05 -42.17 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.084 0.554 . . . . 54.22 110.578 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -71.77 -30.49 65.62 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.558 0.743 . . . . 42.33 110.88 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.449 ' HB3' HD23 ' B' ' 93' ' ' LEU . 89.8 m -69.92 -33.64 72.44 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.499 0.72 . . . . 54.12 110.287 173.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -71.56 -32.99 68.71 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.701 0.4 . . . . 74.05 110.472 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 83.8 m -60.52 -46.85 88.62 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.073 0.549 . . . . 74.01 110.691 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.77 -36.41 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.622 0.369 . . . . 51.41 111.419 177.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 116' ' ' ARG . . . -63.68 -42.68 97.99 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.269 0.627 . . . . 65.11 111.585 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -63.4 -34.52 77.92 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.541 0.737 . . . . 60.43 111.791 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 59.4 mtm -78.78 -20.79 49.02 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.993 0.517 . . . . 73.34 111.867 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.457 HG21 ' HD2' ' B' ' 89' ' ' PHE . 41.0 pt -101.33 -1.06 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 112.346 0.498 . . . . 74.15 112.346 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 112' ' ' ALA . 64.3 mtp180 -64.28 93.59 0.1 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.657 0.383 . . . . 70.21 110.182 175.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 CA-C-O 119.377 -0.68 . . . . 71.1 112.102 178.02 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.5 p . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.88 0.371 . . . . 63.44 110.947 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.36 118.18 11.92 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.902 0.881 . . . . 71.23 110.247 178.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 19.3 m -80.4 127.24 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-O 121.632 0.729 . . . . 74.15 109.531 174.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.504 ' HB3' HG13 ' B' ' 13' ' ' VAL . 90.1 mttt -88.5 113.73 24.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.979 -1.01 . . . . 65.05 109.496 -172.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.568 HD13 HD13 ' B' ' 27' ' ' ILE . 63.2 mt -115.54 103.57 10.87 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.493 -0.929 . . . . 53.31 108.493 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.656 ' HB2' ' HB3' ' B' ' 42' ' ' PRO . 5.7 mp0 -76.12 150.15 37.26 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.229 0.538 . . . . 62.42 110.001 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 25.6 p -89.57 -174.16 4.23 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.727 0.811 . . . . 73.22 111.242 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.5 t -58.57 -32.48 68.97 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.677 -0.692 . . . . 64.05 110.493 167.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -83.9 2.22 39.61 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.236 1.015 . . . . 72.11 111.553 177.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 65.23 19.36 11.7 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.996 1.318 . . . . 75.24 112.299 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -79.08 123.25 27.16 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 109.187 -0.671 . . . . 42.34 109.187 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.504 HG13 ' HB3' ' B' ' 5' ' ' LYS . 90.9 t -75.16 105.38 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.521 1.128 . . . . 74.55 110.697 -173.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -96.05 94.64 7.68 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.424 -0.584 . . . . 75.53 109.424 175.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.46 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 33.9 mt-10 -74.72 77.97 2.05 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.24 -0.891 . . . . 64.43 109.136 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.7 tp -89.85 146.69 5.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.436 -0.802 . . . . 64.02 109.115 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -64.83 135.91 56.29 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.664 -0.865 . . . . 64.41 108.664 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -62.41 -34.71 77.29 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.811 0.671 . . . . 74.03 112.811 -165.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -72.1 -27.8 62.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.788 0.435 . . . . 70.11 110.805 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 30.1 mt -72.97 -35.67 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 109.663 -0.495 . . . . 73.4 109.663 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.79 -25.4 63.77 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.14 0.576 . . . . 61.44 110.843 173.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' CYS . . . . . 0.482 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 78.1 m -75.58 -27.87 58.72 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.26 0.624 . . . . 70.3 111.253 173.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 87.4 mtp -62.6 -33.21 74.52 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.316 0.579 . . . . 71.45 109.795 173.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.528 ' HA ' HG12 ' B' ' 100' ' ' ILE . 37.4 t -73.73 104.35 4.61 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 107.878 -1.156 . . . . 62.42 107.878 164.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.38 -38.38 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.617 0.367 . . . . 65.23 111.722 -171.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 99.5 m -61.46 -48.48 80.95 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.032 0.533 . . . . 63.13 111.43 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.568 HD13 HD13 ' B' ' 6' ' ' LEU . 75.5 mt -65.77 -39.39 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 122.755 0.422 . . . . 71.41 109.899 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.482 ' HB2' ' HA ' ' B' ' 22' ' ' CYS . 22.2 ttpp -57.36 -46.51 83.27 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.907 0.883 . . . . 74.52 110.767 176.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -61.94 -42.56 99.25 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 123.951 0.782 . . . . 60.44 110.516 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 65.3 mtt -59.13 -46.59 87.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.622 0.769 . . . . 72.11 110.692 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 88.7 mt -57.66 -47.08 86.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 123.901 0.88 . . . . 73.01 110.134 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.85 -41.04 99.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.572 0.749 . . . . 72.13 111.781 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -64.31 -43.55 94.35 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.033 0.533 . . . . 73.53 111.027 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.16 -28.64 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 115.818 -0.628 . . . . 74.43 110.66 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.21 29.53 10.2 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 112.04 -0.424 . . . . 31.42 112.04 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 62.91 91.08 0.07 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.63 1.572 . . . . 75.0 111.065 177.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 33.7 p -106.96 165.06 11.62 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.594 0.758 . . . . 75.13 110.602 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -17.34 50.64 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.721 -0.672 . . . . 72.33 109.799 174.048 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 79.5 p -57.56 125.58 72.64 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 123.641 0.776 . . . . 64.21 111.867 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' PRO . . . . . 0.479 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 59.1 Cg_endo -69.19 134.68 29.81 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.504 2.136 . . . . 74.43 111.247 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mm -107.28 97.72 19.95 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.108 0.563 . . . . 73.44 109.581 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' PRO . . . . . 0.656 ' HB3' ' HB2' ' B' ' 7' ' ' GLU . 73.3 Cg_endo -76.16 129.84 11.65 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.489 2.126 . . . . 72.11 112.117 176.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.54 96.57 5.46 Favored Pre-proline 0 CA--C 1.554 1.1 0 N-CA-C 108.466 -0.939 . . . . 74.5 108.466 172.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -76.43 -9.72 18.83 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.93 2.42 . . . . 73.32 113.464 -175.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -70.1 -52.57 22.75 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.796 0.838 . . . . 52.21 110.43 176.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -89.85 136.05 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-N 115.599 -0.728 . . . . 73.52 110.079 -174.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 45.8 p -78.93 173.4 12.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.49 0.716 . . . . 74.34 111.041 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 53.4 p -66.22 -47.78 72.73 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.317 0.647 . . . . 71.02 112.285 -173.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 89.8 m -63.95 -45.8 87.54 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 123.781 0.676 . . . . 63.54 111.324 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 51.3 mm -69.91 -44.25 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 110.212 -0.292 . . . . 74.31 110.212 -177.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.9 -40.26 94.84 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.995 0.518 . . . . 63.24 110.434 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.33 -50.23 74.79 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 123.899 0.749 . . . . 73.01 110.251 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -66.04 -42.65 89.27 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 124.36 1.037 . . . . 75.35 111.732 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.49 -38.96 81.58 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 122.791 0.436 . . . . 64.21 110.092 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 83.6 mt -71.02 -30.12 66.24 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.956 0.502 . . . . 74.25 111.207 173.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -71.46 -36.32 71.17 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.807 0.843 . . . . 64.04 109.747 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.88 -42.98 80.41 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 115.666 -0.697 . . . . 61.3 109.647 170.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.636 ' SG ' HD13 ' B' ' 100' ' ' ILE . 74.7 m -62.27 -31.21 71.76 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 122.308 0.243 . . . . 55.03 111.017 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 26.7 mtp180 -65.99 -48.88 69.74 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.763 0.825 . . . . 72.35 109.725 171.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -54.61 -46.8 73.91 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.629 1.172 . . . . 55.42 111.806 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -80.24 -15.48 56.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.734 0.814 . . . . 73.1 111.088 -176.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 t60 -79.7 -47.04 15.99 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.508 0.723 . . . . 71.33 110.213 177.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 16.1 mm100 -72.22 -30.29 64.77 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.218 -0.901 . . . . 64.22 110.042 -178.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 . . . . . 0 CA--C 1.535 0.399 0 C-N-CA 124.08 0.952 . . . . 55.43 108.556 175.764 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 22.8 mt . . . . . 1 N--CA 1.609 7.488 0 N-CA-C 118.658 2.836 . . . . 71.24 118.658 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -94.26 153.89 2.08 Favored 'Trans proline' 0 CA--C 1.563 1.943 0 C-N-CA 123.414 2.743 . . . . 62.14 112.375 167.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.51 -23.36 57.68 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 121.887 1.725 . . . . 73.54 111.71 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -56.47 -53.69 54.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.696 1.598 . . . . 75.44 111.381 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -71.57 -22.38 61.75 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.17 -0.923 . . . . 74.21 112.29 -175.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -60.43 -41.01 93.12 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.554 0.342 . . . . 70.43 110.231 173.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.27 -37.25 80.51 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.772 -0.649 . . . . 62.11 110.924 174.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' PHE . . . . . 0.486 ' CZ ' HD21 ' B' ' 103' ' ' LEU . 61.1 t80 -60.1 -40.71 90.6 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.382 0.673 . . . . 74.03 110.666 175.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 72.5 m -73.7 -2.3 22.68 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.943 0.897 . . . . 75.43 112.655 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -76.93 82.78 3.47 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 121.875 0.845 . . . . 55.04 109.489 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.54 HG11 HD11 ' B' ' 91' ' ' LEU . 16.1 m -132.96 161.76 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.992 1.317 . . . . 71.03 109.439 -178.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -85.71 171.54 11.53 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.117 -1.068 . . . . 64.12 108.117 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' GLN . . . . . 0.417 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 22.8 tp60 -60.64 -49.96 87.44 Favored Pre-proline 0 CA--C 1.568 1.666 0 CA-C-O 118.362 -0.828 . . . . 64.4 112.604 -176.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 48.6 Cg_exo -59.15 -41.74 57.41 Favored 'Trans proline' 0 C--N 1.388 2.645 0 C-N-CA 121.934 1.756 . . . . 55.32 112.671 173.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 11.6 m -64.17 -30.39 71.45 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.969 0.908 . . . . 70.11 111.473 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.87 -45.59 85.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.096 0.958 . . . . 51.24 109.087 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.471 ' HE1' ' HE1' ' A' ' 89' ' ' PHE . 39.2 m-85 -68.9 -30.22 68.66 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.478 -0.783 . . . . 74.14 111.417 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.65 -35.43 74.4 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.917 0.487 . . . . 74.54 111.417 175.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.54 HD11 HG11 ' B' ' 83' ' ' VAL . 84.0 mt -67.64 -39.3 84.64 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.35 0.66 . . . . 63.53 110.535 175.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.421 HD12 ' HD1' ' B' ' 89' ' ' PHE . 59.3 mt -65.51 -42.79 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.565 0.746 . . . . 72.31 110.287 176.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 93' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 108' ' ' CYS . 95.3 mt -66.12 -43.21 87.79 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.151 0.981 . . . . 75.53 110.667 -178.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.62 -37.78 70.86 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.695 0.798 . . . . 73.33 111.318 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' ALA . . . . . 0.522 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -72.1 -32.23 66.79 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.907 0.483 . . . . 74.14 111.518 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -75.88 -38.33 57.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.147 0.579 . . . . 64.34 109.925 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -65.71 -47.52 75.08 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.082 0.953 . . . . 75.13 111.111 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.407 HD22 HD11 ' B' ' 27' ' ' ILE . 99.2 mt -88.62 -7.99 55.43 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.922 0.889 . . . . 73.51 111.608 -177.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 36.8 t0 61.66 34.57 17.5 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.833 1.253 . . . . 74.24 111.055 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.636 HD13 ' SG ' ' B' ' 58' ' ' CYS . 37.1 mt -87.69 80.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.412 0 N-CA-C 108.06 -1.089 . . . . 64.15 108.06 174.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 101' ' ' LYS . . . . . 0.413 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 94.1 mttt -61.55 -37.15 38.25 Favored Pre-proline 0 CA--C 1.553 1.062 0 CA-C-N 114.129 -1.396 . . . . 70.53 113.414 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -46.71 -42.93 23.97 Favored 'Trans proline' 0 C--N 1.397 3.095 0 C-N-CA 121.948 1.766 . . . . 74.12 113.133 169.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.2 tm? -79.41 -43.87 22.53 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.672 0.389 . . . . 64.12 109.998 -179.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 104' ' ' LEU . 60.9 tp -55.19 -44.77 75.58 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.172 0.989 . . . . 73.13 111.19 -177.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -70.59 -42.93 70.38 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.024 0.828 . . . . 42.24 110.904 -175.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.74 -42.21 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 123.081 0.552 . . . . 74.51 110.595 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.8 m -71.55 -30.52 65.98 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.59 0.756 . . . . 75.14 110.981 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.6 m -70.25 -32.51 70.38 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.369 0.668 . . . . 65.3 110.506 173.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -72.47 -32.69 66.45 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.739 0.415 . . . . 54.44 110.336 173.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.1 m -60.75 -46.4 90.58 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.017 0.527 . . . . 75.35 110.797 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.27 -36.57 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 116.231 -0.44 . . . . 51.13 111.401 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' B' ' 116' ' ' ARG . . . -63.02 -43.53 98.46 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.444 0.698 . . . . 71.11 111.56 -177.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.14 -36.16 80.96 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.613 0.765 . . . . 75.24 111.687 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 58.8 mtm -77.52 -23.54 50.18 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.031 0.533 . . . . 74.12 111.935 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.6 pt -98.3 -1.05 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.805 0.442 . . . . 72.2 112.106 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 116' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 112' ' ' ALA . 65.8 mtp180 . . . . . 0 N--CA 1.482 1.127 0 C-N-CA 122.652 0.381 . . . . 72.35 110.454 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 121.186 0.517 . . . . 54.33 110.773 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 58.2 mt -81.98 118.8 23.26 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.677 0.791 . . . . 75.51 110.353 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.4 m -79.14 128.07 38.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 121.434 0.635 . . . . 54.01 109.295 169.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.553 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 90.1 mttt -86.66 106.13 17.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.087 -0.96 . . . . 73.01 109.284 -173.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -109.05 95.73 5.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.611 -0.514 . . . . 71.45 109.611 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG3' HG22 ' A' ' 13' ' ' VAL . 5.1 mp0 -70.88 138.17 49.96 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.385 -0.598 . . . . 73.14 109.385 174.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 p -82.15 -178.28 6.96 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.161 0.584 . . . . 70.32 110.697 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -63.68 -26.05 68.49 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.594 0.758 . . . . 52.13 111.05 170.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 32.5 t70 -89.82 12.66 16.55 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.352 1.061 . . . . 70.43 110.742 176.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 70.04 2.15 3.8 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.441 1.496 . . . . 74.51 113.735 170.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -72.9 122.31 21.43 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.706 0.402 . . . . 71.32 110.041 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG22 ' HG3' ' A' ' 7' ' ' GLU . 50.2 t -75.97 109.5 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 O-C-N 124.096 0.872 . . . . 72.24 109.541 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -103.32 91.55 4.12 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.73 0.812 . . . . 64.43 109.351 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.553 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 40.7 mt-10 -75.59 116.58 16.46 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.11 -0.95 . . . . 65.43 109.631 175.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.546 HD12 ' HB3' ' A' ' 55' ' ' LEU . 18.3 tt -136.39 153.76 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 108.743 -0.836 . . . . 75.42 108.743 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HB2' HG13 ' A' ' 20' ' ' ILE . 53.5 mt-10 -55.05 138.01 45.07 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.905 0.482 . . . . 70.33 111.023 -177.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -57.68 -39.76 77.87 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.97 0.908 . . . . 71.51 110.963 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.46 -28.0 69.37 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.081 0.952 . . . . 74.15 112.343 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.569 HG13 ' HB2' ' A' ' 17' ' ' GLU . 53.1 mt -76.47 -43.84 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 123.08 0.552 . . . . 52.44 110.131 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.68 -17.55 55.99 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.571 0.748 . . . . 64.2 112.785 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.8 m -71.06 -23.86 62.22 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.828 0.851 . . . . 75.23 112.498 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.7 mtm -68.72 -31.21 70.11 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.157 0.583 . . . . 64.45 110.66 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.0 t -74.41 114.49 12.86 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.062 -1.088 . . . . 62.22 108.062 169.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.44 -41.49 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.013 0.525 . . . . 44.43 110.538 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 m -63.61 -52.51 60.57 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.314 0.645 . . . . 72.52 111.846 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.475 HG13 HD22 ' A' ' 98' ' ' LEU . 75.3 mt -64.03 -42.28 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 122.602 0.361 . . . . 72.01 110.22 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 24.2 ttpp -55.76 -52.51 63.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.929 0.891 . . . . 63.55 110.924 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -60.06 -36.57 77.62 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.89 0.876 . . . . 75.34 111.288 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.0 mtt -63.0 -47.32 83.6 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.392 0.433 . . . . 72.31 110.499 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.4 mt -61.33 -33.86 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.74 0.816 . . . . 61.23 110.142 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 44.9 mt-10 -71.26 -45.04 64.09 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.333 0.653 . . . . 75.4 111.76 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.03 -42.34 80.75 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 122.782 0.433 . . . . 72.41 111.57 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -73.23 -29.88 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.888 0.875 . . . . 61.3 110.361 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.57 165.92 40.7 Favored Glycine 0 C--O 1.246 0.859 0 N-CA-C 110.503 -1.039 . . . . 51.24 110.503 -169.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.88 97.68 0.06 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.36 0.664 . . . . 72.53 109.915 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.0 m -127.89 136.44 51.39 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 124.014 0.926 . . . . 72.43 109.526 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -78.22 -4.73 49.21 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.672 0.389 . . . . 62.32 110.629 171.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.0 m -49.07 126.0 14.32 Favored Pre-proline 0 C--N 1.356 0.886 0 C-N-CA 124.955 1.302 . . . . 72.41 111.566 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 37.6 Cg_endo -63.11 129.28 25.23 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.691 2.26 . . . . 64.13 111.947 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.0 mm -105.56 102.75 39.66 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 109.204 -0.665 . . . . 75.33 109.204 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.85 146.43 47.85 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.355 2.037 . . . . 45.24 110.913 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.6 mt -118.37 92.95 44.42 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 107.93 -1.137 . . . . 74.02 107.93 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -81.45 63.28 8.56 Favored 'Trans proline' 0 C--N 1.382 2.315 0 C-N-CA 123.29 2.66 . . . . 65.3 112.567 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -160.61 -50.21 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.366 -0.834 . . . . 73.33 109.161 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.15 125.46 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.089 0 CA-C-N 115.473 -0.785 . . . . 62.04 110.41 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 p -79.3 174.84 11.16 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.907 0.883 . . . . 71.45 111.152 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.467 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 73.9 p -66.05 -47.25 74.97 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.466 0.543 . . . . 70.02 112.466 -172.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.8 p -60.74 -37.01 80.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.784 0.833 . . . . 45.35 111.512 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.643 HG23 HD23 ' A' ' 91' ' ' LEU . 43.9 mm -80.62 -46.74 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.755 -0.657 . . . . 61.25 110.147 -176.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.25 -28.72 69.92 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.723 0.809 . . . . 74.34 111.052 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -53.04 -54.07 40.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.45 1.1 . . . . 73.23 110.024 171.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -76.98 -32.79 57.49 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.372 -0.831 . . . . 52.31 111.939 -176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.475 HG11 HD12 ' A' ' 98' ' ' LEU . 51.4 t -60.44 -53.1 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 109.447 -0.575 . . . . 72.1 109.447 177.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.546 ' HB3' HD12 ' A' ' 16' ' ' ILE . 68.1 mt -74.57 -29.84 61.5 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.22 -0.9 . . . . 74.31 112.171 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.41 -34.06 65.29 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 118.214 0.461 . . . . 74.14 110.795 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -63.77 -42.0 97.86 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.506 -0.553 . . . . 44.44 109.506 170.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 91.3 m -66.56 -31.49 72.23 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 115.253 -0.885 . . . . 74.41 111.178 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 72.8 mtt180 -62.92 -50.52 70.52 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 109.355 -0.609 . . . . 75.11 109.355 171.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -57.92 -44.75 87.06 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.943 0.897 . . . . 73.3 111.314 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -67.5 -35.65 79.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.185 0.994 . . . . 75.23 111.026 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -82.58 -47.21 12.37 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.094 0.557 . . . . 73.23 111.804 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -77.69 -29.4 51.38 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.416 0.686 . . . . 72.13 111.198 -175.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -125.31 99.62 33.53 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 107.752 -1.203 . . . . 74.35 107.752 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.95 100.0 0.08 OUTLIER 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.887 2.391 . . . . 71.3 112.231 -177.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.78 -100.99 0.15 Allowed Glycine 0 C--N 1.343 0.933 0 CA-C-N 115.705 -0.68 . . . . 72.1 111.576 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.73 2.9 86.68 Favored Glycine 0 C--N 1.349 1.288 0 O-C-N 123.532 0.195 . . . . 73.22 112.709 -172.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.8 m -153.2 159.59 42.68 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.205 1.402 . . . . 73.53 108.794 -175.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.74 141.42 8.41 Favored Glycine 0 C--N 1.339 0.719 0 N-CA-C 111.262 -0.735 . . . . 45.53 111.262 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.9 mt -79.71 -74.65 0.29 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.734 0.813 . . . . 74.4 108.923 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -111.78 0.26 16.17 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.543 0.687 . . . . 64.11 109.493 173.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -104.64 91.46 3.87 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.564 1.146 . . . . 75.53 109.31 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.0 mp -90.73 108.48 27.8 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 108.747 -0.834 . . . . 75.4 108.747 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.94 147.51 30.64 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.539 2.159 . . . . 70.15 111.28 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.58 -50.44 13.81 Favored 'Trans proline' 0 C--N 1.385 2.472 0 C-N-CA 123.562 2.842 . . . . 73.22 113.109 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -54.54 -54.1 45.7 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.493 0.496 . . . . 72.34 111.326 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.97 -31.89 73.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.953 0.901 . . . . 61.35 111.48 -170.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -75.59 -45.38 37.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.322 -0.399 . . . . 64.43 110.709 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.69 -23.27 66.1 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.463 0.705 . . . . 74.34 111.769 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -67.4 -42.5 83.2 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.328 1.051 . . . . 75.21 109.857 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 65.8 m -76.59 -15.04 59.94 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.772 -1.104 . . . . 75.2 111.981 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -76.25 79.88 3.03 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.371 -0.603 . . . . 73.32 109.371 175.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.1 m -132.02 160.07 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.817 1.247 . . . . 61.35 108.55 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.08 156.07 40.04 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.176 -0.675 . . . . 70.44 109.176 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -59.48 -46.85 98.83 Favored Pre-proline 0 CA--C 1.567 1.625 0 CA-C-O 118.341 -0.838 . . . . 74.43 113.036 -171.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.65 -47.41 27.38 Favored 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 121.996 1.797 . . . . 73.32 113.381 169.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.2 m -61.62 -30.78 70.92 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.932 0.893 . . . . 64.01 111.64 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 tt -70.13 -43.94 69.94 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.28 1.032 . . . . 65.55 108.935 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.497 ' HE2' ' HE2' ' B' ' 89' ' ' PHE . 19.2 m-85 -63.37 -33.16 74.93 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.789 -0.641 . . . . 63.0 111.174 176.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.47 -36.87 85.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.683 0.793 . . . . 72.21 111.856 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.643 HD23 HG23 ' A' ' 50' ' ' ILE . 95.0 mt -67.14 -36.1 81.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.031 0.532 . . . . 73.24 110.539 175.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.36 -43.75 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.3 0.64 . . . . 71.5 109.898 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' B' ' 112' ' ' ALA . 91.2 mt -60.27 -47.95 83.82 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.04 0.936 . . . . 62.32 111.131 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.95 -36.43 80.09 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.872 0.869 . . . . 34.4 111.876 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.35 -32.55 66.57 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.373 0.669 . . . . 74.01 111.559 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -78.73 -36.65 42.95 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.701 0.8 . . . . 71.24 110.261 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.92 -39.08 92.97 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.17 0.988 . . . . 75.21 110.827 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.475 HD12 HG11 ' A' ' 54' ' ' VAL . 76.8 mt -96.23 -8.16 33.68 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.297 0.639 . . . . 74.43 111.693 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t70 57.07 34.54 25.06 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.119 1.368 . . . . 74.3 111.527 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.0 mt -78.77 103.38 5.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.832 -1.173 . . . . 54.43 107.832 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -58.98 -49.62 92.36 Favored Pre-proline 0 CA--C 1.562 1.419 0 CA-C-O 117.906 -1.045 . . . . 73.21 112.723 -175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.91 -48.55 16.0 Favored 'Trans proline' 0 C--N 1.401 3.331 0 C-N-CA 121.836 1.69 . . . . 61.43 112.672 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.0 -47.08 84.64 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.838 0.455 . . . . 64.44 111.364 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.625 HD21 HD21 ' B' ' 104' ' ' LEU . 48.0 tp -63.18 -42.74 99.41 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.785 0.678 . . . . 62.35 110.511 -177.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.6 -48.76 65.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.798 -0.637 . . . . 53.52 110.535 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.21 -45.66 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.339 0.655 . . . . 73.34 111.185 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.7 m -67.79 -35.89 79.48 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 123.147 0.579 . . . . 75.11 111.425 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 75.1 m -72.69 -30.19 64.03 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.089 0.555 . . . . 50.25 110.961 175.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.8 -31.21 59.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.022 0.529 . . . . 62.41 110.584 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.9 m -57.81 -53.32 59.55 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.289 0.636 . . . . 75.32 110.643 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.9 m -65.01 -35.01 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 115.759 -0.655 . . . . 75.21 110.955 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.15 96.53 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.284 0.634 . . . . 71.44 111.539 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -70.29 -37.08 74.75 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.722 0.409 . . . . 75.13 110.866 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 71.0 mtm -70.17 -40.66 74.58 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 111.934 0.346 . . . . 73.41 111.934 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 30.7 pt -79.31 -27.09 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 122.549 0.34 . . . . 74.22 111.838 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -92.17 -18.38 23.58 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.179 0.591 . . . . 74.42 111.664 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 CA-C-O 119.109 -0.829 . . . . 72.22 111.306 -178.377 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.978 0.418 . . . . 63.44 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 mt -81.58 118.89 23.13 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.549 -0.75 . . . . 71.23 110.126 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 24.3 m -79.08 128.43 38.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 109.448 -0.575 . . . . 74.33 109.448 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.541 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 90.5 mttt -86.87 106.6 17.86 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.998 0.919 . . . . 71.12 109.095 -173.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.0 mt -109.52 95.38 5.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.953 0.501 . . . . 64.21 109.714 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.43 ' HG3' HG22 ' B' ' 13' ' ' VAL . 3.5 mp0 -70.67 138.58 50.79 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.311 -0.625 . . . . 75.43 109.311 174.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.6 p -82.3 -177.88 6.82 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.343 0.657 . . . . 74.3 110.424 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.6 m -63.99 -27.42 69.11 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.569 0.748 . . . . 54.11 110.443 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.46 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 34.3 t70 -88.97 15.08 9.12 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.137 0.975 . . . . 74.52 110.959 175.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 68.11 3.15 3.49 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.169 1.388 . . . . 74.53 113.802 169.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -74.2 122.95 23.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.069 0.547 . . . . 74.12 109.869 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.43 HG22 ' HG3' ' B' ' 7' ' ' GLU . 43.7 t -77.13 109.22 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 O-C-N 124.33 1.019 . . . . 65.23 109.646 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -102.86 91.06 3.99 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.58 0.752 . . . . 73.34 109.378 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.541 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 38.8 mt-10 -74.86 115.78 14.84 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.172 -0.922 . . . . 73.31 109.529 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' B' ' 55' ' ' LEU . 18.2 tt -135.65 153.29 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 123.658 0.783 . . . . 73.2 108.901 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.583 ' HB2' HG13 ' B' ' 20' ' ' ILE . 56.4 mt-10 -55.19 137.34 47.31 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.068 0.547 . . . . 74.42 110.992 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -57.77 -39.29 77.11 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.052 0.941 . . . . 51.33 110.951 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.28 -29.36 70.45 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.007 -0.997 . . . . 71.3 112.196 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.583 HG13 ' HB2' ' B' ' 17' ' ' GLU . 52.9 mt -75.3 -43.72 43.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 123.017 0.527 . . . . 75.34 110.172 175.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.83 -17.54 56.69 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.72 0.808 . . . . 51.52 112.696 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 66.1 m -71.14 -23.39 62.07 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.757 0.823 . . . . 73.21 112.465 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 53.7 mtm -69.15 -30.45 68.7 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 122.979 0.512 . . . . 71.34 110.732 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -75.2 114.38 13.64 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.086 -1.079 . . . . 70.23 108.086 169.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.97 -41.86 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 123.573 0.546 . . . . 73.44 110.477 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 54.9 m -63.18 -52.65 61.5 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.348 0.659 . . . . 70.35 112.037 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.485 HG13 HD22 ' B' ' 98' ' ' LEU . 75.5 mt -64.11 -42.17 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.648 0.379 . . . . 54.23 110.118 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' B' ' 32' ' ' GLU . 24.2 ttpp -55.83 -51.84 66.08 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.016 0.926 . . . . 73.04 110.738 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -60.53 -36.64 78.9 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.955 0.902 . . . . 71.22 111.291 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 66.9 mtt -63.36 -47.23 82.99 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.612 0.57 . . . . 70.13 110.372 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 79.7 mt -61.67 -33.84 59.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.651 0.781 . . . . 63.33 110.265 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 43.8 mt-10 -70.85 -45.87 63.72 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.197 0.599 . . . . 74.12 111.482 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.11 -44.54 84.04 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.98 0.512 . . . . 71.21 111.582 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -72.79 -28.7 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.99 0.916 . . . . 73.22 110.604 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.1 166.86 40.89 Favored Glycine 0 C--O 1.244 0.771 0 N-CA-C 110.742 -0.943 . . . . 73.03 110.742 -170.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.63 97.02 0.09 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.116 0.567 . . . . 74.12 109.563 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 36.4 m -127.28 137.73 52.91 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.101 -0.954 . . . . 52.44 109.221 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -80.38 -3.02 48.03 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.962 0.505 . . . . 75.12 110.296 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -50.27 126.16 20.81 Favored Pre-proline 0 C--N 1.358 0.949 0 C-N-CA 124.977 1.311 . . . . 52.01 111.609 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.461 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 37.0 Cg_endo -63.3 127.91 21.28 Favored 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.749 2.299 . . . . 43.32 112.44 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 42.3 mm -104.34 103.1 37.15 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 109.334 -0.617 . . . . 70.52 109.334 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -72.53 144.68 40.73 Favored 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.382 2.055 . . . . 64.14 111.148 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 86.4 mt -116.77 92.42 38.15 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 108.012 -1.107 . . . . 71.21 108.012 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.39 61.22 8.01 Favored 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 123.379 2.719 . . . . 72.34 112.737 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -158.85 -48.91 0.06 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.84 0.856 . . . . 72.54 109.035 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.29 125.98 44.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 CA-C-N 115.957 -0.565 . . . . 73.33 110.218 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.2 p -79.56 174.64 11.37 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.732 0.813 . . . . 63.02 111.282 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 63.8 p -65.74 -47.89 73.74 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.042 0.537 . . . . 64.53 112.42 -171.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 47.2 p -60.43 -36.79 79.03 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.839 0.856 . . . . 65.44 111.588 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.641 HG23 HD23 ' B' ' 91' ' ' LEU . 43.5 mm -80.68 -46.99 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 115.667 -0.697 . . . . 73.41 110.169 -177.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.5 tp -64.25 -28.67 69.89 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.847 0.859 . . . . 73.21 111.023 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -52.89 -54.13 39.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.382 1.073 . . . . 73.33 110.049 171.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -77.02 -32.53 57.16 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.359 -0.837 . . . . 64.12 111.958 -176.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.46 HG11 HD12 ' B' ' 98' ' ' LEU . 51.2 t -60.7 -53.17 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 109.418 -0.586 . . . . 44.44 109.418 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.543 ' HB3' HD12 ' B' ' 16' ' ' ILE . 68.8 mt -74.54 -29.52 61.41 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.265 -0.88 . . . . 73.14 111.977 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.81 -34.34 64.56 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 118.145 0.43 . . . . 55.24 110.852 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -63.34 -41.86 98.89 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.452 -0.573 . . . . 71.42 109.452 170.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 88.9 m -66.89 -31.22 71.66 Favored 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 115.271 -0.877 . . . . 72.41 111.243 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 74.8 mtt180 -63.05 -50.7 69.62 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.182 0.593 . . . . 73.34 109.484 171.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -58.11 -44.6 87.8 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.195 -0.911 . . . . 53.24 111.241 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -67.64 -36.11 80.15 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.356 1.062 . . . . 72.04 111.083 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -81.97 -47.31 12.84 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.025 -0.534 . . . . 61.05 111.557 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -77.56 -28.05 51.68 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.479 0.712 . . . . 74.55 111.276 -175.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -126.3 100.32 29.64 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 107.721 -1.215 . . . . 72.0 107.721 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -57.39 96.83 0.07 OUTLIER 'Trans proline' 0 C--N 1.379 2.156 0 C-N-CA 122.947 2.431 . . . . 73.13 112.531 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.83 -102.46 0.16 Allowed Glycine 0 C--N 1.34 0.762 0 N-CA-C 111.066 -0.813 . . . . 61.41 111.066 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.2 1.86 81.71 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-N 116.791 0.295 . . . . 73.31 113.001 -172.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.0 m -153.1 157.99 41.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.115 1.366 . . . . 50.32 108.791 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -151.13 141.43 8.63 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 111.311 -0.716 . . . . 40.44 111.311 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 81.7 mt -79.49 -72.73 0.38 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.751 0.821 . . . . 62.42 109.301 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -113.73 -0.28 14.31 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.593 0.757 . . . . 75.2 109.553 172.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -103.44 91.38 4.03 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.483 1.113 . . . . 73.01 108.865 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.1 mp -90.91 109.94 38.45 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 108.375 -0.972 . . . . 72.45 108.375 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.06 148.87 28.06 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.526 2.151 . . . . 61.15 111.511 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -54.57 -49.86 15.37 Favored 'Trans proline' 0 C--N 1.385 2.475 0 C-N-CA 123.28 2.653 . . . . 72.32 113.161 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -54.97 -55.24 32.99 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.717 0.636 . . . . 74.52 111.323 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.09 -32.17 72.69 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.122 0.889 . . . . 70.45 111.622 -170.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -75.63 -45.2 38.71 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.361 -0.381 . . . . 65.54 110.526 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.46 -23.11 66.22 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.412 0.685 . . . . 73.24 111.66 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -67.45 -42.99 82.19 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.308 1.043 . . . . 71.53 109.852 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 65.3 m -76.06 -14.63 60.2 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 114.739 -1.119 . . . . 32.1 111.829 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -76.38 78.9 3.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.203 0.601 . . . . 71.53 109.981 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 19.5 m -132.43 159.37 43.18 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 C-N-CA 124.594 1.158 . . . . 72.44 108.527 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.78 156.15 39.88 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.968 -0.752 . . . . 72.04 108.968 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -60.16 -47.24 97.28 Favored Pre-proline 0 CA--C 1.568 1.648 0 N-CA-C 113.337 0.866 . . . . 61.04 113.337 -171.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -53.95 -45.89 37.7 Favored 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 122.076 1.851 . . . . 73.04 112.925 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.6 m -62.1 -31.23 71.66 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.099 0.96 . . . . 51.52 111.476 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.28 -43.54 70.24 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.327 1.051 . . . . 75.33 108.963 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.497 ' HE2' ' HE2' ' A' ' 89' ' ' PHE . 18.4 m-85 -63.43 -33.76 76.27 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.925 -0.579 . . . . 64.01 110.982 175.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.82 -36.54 84.65 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.548 0.739 . . . . 74.41 111.517 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.641 HD23 HG23 ' B' ' 50' ' ' ILE . 94.7 mt -66.79 -36.56 82.68 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.194 0.597 . . . . 73.41 110.688 174.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.09 -43.8 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.241 0.617 . . . . 62.14 109.983 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.69 -47.33 86.73 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.014 0.926 . . . . 61.2 110.954 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.38 79.51 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.978 0.911 . . . . 73.23 111.814 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.59 -33.08 66.49 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.336 0.654 . . . . 61.25 111.574 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -78.2 -36.05 47.82 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.781 0.833 . . . . 61.44 110.397 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -65.16 -39.67 93.28 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.107 0.963 . . . . 72.23 110.72 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.485 HD22 HG13 ' B' ' 27' ' ' ILE . 76.1 mt -95.76 -7.75 36.32 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.162 0.585 . . . . 72.45 111.751 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 24.0 t70 56.68 34.92 25.37 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 125.042 1.337 . . . . 73.14 111.418 175.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.8 mt -79.47 103.26 6.22 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 107.778 -1.193 . . . . 71.22 107.778 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -59.26 -49.31 93.42 Favored Pre-proline 0 CA--C 1.559 1.322 0 CA-C-O 117.966 -1.016 . . . . 71.31 112.612 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.95 -48.54 15.99 Favored 'Trans proline' 0 C--N 1.401 3.31 0 C-N-CA 121.868 1.712 . . . . 73.12 112.66 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.25 -47.29 83.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.896 0.478 . . . . 75.11 111.277 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.625 HD21 HD21 ' A' ' 104' ' ' LEU . 47.0 tp -62.96 -42.27 99.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.759 -0.655 . . . . 71.41 110.57 -177.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.83 -49.24 63.32 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.801 -0.636 . . . . 63.24 110.555 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 56.4 t -59.05 -45.64 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.309 0.643 . . . . 61.01 111.191 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 30.3 m -67.72 -35.89 79.6 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.05 0.54 . . . . 61.44 111.444 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 73.1 m -72.48 -30.72 64.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.95 0.5 . . . . 73.32 110.821 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -75.58 -30.89 59.77 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.034 0.534 . . . . 74.23 110.604 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 94.1 m -57.6 -53.41 58.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.234 0.614 . . . . 32.33 110.497 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 16.5 m -65.21 -35.44 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 115.569 -0.741 . . . . 73.02 111.108 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ALA . . . . . 0.404 ' HB2' HD11 ' A' ' 93' ' ' LEU . . . -62.43 -40.34 96.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.522 0.729 . . . . 63.33 111.557 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -69.78 -37.81 76.48 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.78 0.432 . . . . 72.23 110.884 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.78 -40.95 75.72 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.378 0.424 . . . . 42.01 111.697 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.2 pt -78.5 -29.31 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 C-N-CA 122.717 0.407 . . . . 74.32 112.092 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -90.94 -17.64 26.05 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.359 0.663 . . . . 71.02 111.552 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.964 0 CA-C-O 119.282 -0.732 . . . . 37.81 111.358 -178.555 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 120.814 0.34 . . . . 73.33 110.715 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.3 mt -94.54 125.78 39.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.801 0.84 . . . . 73.43 110.435 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m -81.25 126.12 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 109.615 -0.513 . . . . 73.22 109.615 171.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.59 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 92.6 mttt -86.49 100.92 12.71 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.915 0.886 . . . . 61.32 109.232 -176.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.8 mt -110.14 98.53 7.77 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.835 0.854 . . . . 73.35 109.655 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 42' ' ' PRO . 8.8 mp0 -75.5 150.6 38.15 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.011 0.434 . . . . 74.44 109.936 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.4 p -93.96 -178.69 4.73 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.315 -0.857 . . . . 65.24 110.682 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.6 t -63.5 -25.87 68.45 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.088 -0.96 . . . . 71.1 110.224 168.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.597 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 37.0 t70 -92.37 10.7 28.79 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.567 1.147 . . . . 70.34 110.74 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 74.03 -1.11 3.16 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 124.821 1.248 . . . . 53.4 113.048 166.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.506 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 92.5 mttt -70.44 123.98 23.08 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.871 -0.518 . . . . 73.14 110.681 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.9 t -75.14 107.2 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 124.396 1.078 . . . . 71.03 110.183 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -99.29 92.5 5.46 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.631 0.729 . . . . 75.12 110.026 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 32.9 mt-10 -82.61 94.5 7.54 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.572 -1.194 . . . . 71.32 109.349 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.617 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.9 tt -111.49 155.32 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.56 0.744 . . . . 74.32 109.544 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -56.83 129.14 40.09 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.739 0.816 . . . . 74.11 109.481 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.03 -38.01 78.27 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.941 0.896 . . . . 61.34 111.794 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.32 -32.92 68.94 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.968 0.907 . . . . 70.25 112.016 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.548 HD13 ' HA ' ' A' ' 59' ' ' ARG . 50.2 mt -80.72 -39.86 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.775 0.83 . . . . 64.12 110.296 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB1' HG21 ' A' ' 27' ' ' ILE . . . -65.61 -20.89 66.49 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.318 0.647 . . . . 63.42 111.837 176.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -69.71 -23.89 63.49 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.421 0.688 . . . . 74.01 112.221 174.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.6 mtm -69.32 -31.65 70.26 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.716 0.293 . . . . 71.51 110.462 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -66.97 112.62 4.43 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.262 -1.014 . . . . 65.44 108.262 164.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 63.2 t -60.82 -33.86 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 O-C-N 123.706 0.629 . . . . 55.52 110.631 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.0 m -67.48 -51.24 53.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.053 0.541 . . . . 72.14 111.599 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.44 HG21 ' HB1' ' A' ' 21' ' ' ALA . 74.8 mt -65.5 -43.19 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 122.846 0.458 . . . . 71.24 109.997 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -57.66 -50.79 72.02 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.919 0.887 . . . . 61.22 110.749 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.26 -28.92 70.36 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.602 0.761 . . . . 73.21 111.594 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.1 mtt -68.49 -45.34 72.61 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.391 0.276 . . . . 63.01 110.666 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.0 -35.64 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 122.985 0.514 . . . . 62.31 110.237 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -77.35 -45.23 26.77 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 122.997 0.519 . . . . 71.52 112.212 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.02 -46.43 18.18 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.368 0.667 . . . . 71.32 111.875 -171.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -74.52 -34.96 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 121.472 0.653 . . . . 74.32 109.496 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.98 178.84 21.49 Favored Glycine 0 C--O 1.246 0.883 0 CA-C-N 115.113 -0.949 . . . . 45.24 111.44 -177.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.81 89.71 0.16 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.275 0.63 . . . . 75.11 109.824 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 m -94.08 115.0 27.26 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.209 -0.905 . . . . 62.25 109.474 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.38 -19.77 57.82 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.402 0.681 . . . . 64.44 110.623 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 m -65.25 144.02 98.92 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.54 0.736 . . . . 44.22 110.455 173.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 82.1 Cg_endo -73.94 149.48 42.12 Favored 'Trans proline' 0 C--N 1.372 1.778 0 C-N-CA 122.579 2.186 . . . . 63.32 111.521 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.29 102.66 34.33 Favored Pre-proline 0 CA--C 1.553 1.068 0 N-CA-C 109.192 -0.67 . . . . 74.34 109.192 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 95.5 Cg_endo -84.66 111.17 1.46 Allowed 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.506 2.137 . . . . 54.13 112.371 174.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -87.08 101.79 2.53 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 123.819 0.848 . . . . 71.44 108.919 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -84.37 11.86 3.22 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 123.031 2.487 . . . . 64.54 113.352 -174.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -99.57 -57.44 2.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.647 0.779 . . . . 71.31 110.825 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.9 131.0 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 122.892 0.477 . . . . 63.13 110.641 -175.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.9 p -72.1 167.88 19.32 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.917 0.887 . . . . 63.32 111.819 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.597 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 72.3 p -68.5 -47.53 66.75 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.125 0.57 . . . . 74.3 112.355 -173.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.4 p -56.37 -47.28 79.2 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.249 0.968 . . . . 74.44 111.008 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.502 HG23 HD23 ' A' ' 91' ' ' LEU . 47.1 mm -75.49 -43.47 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.073 -0.967 . . . . 71.11 110.766 -174.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.4 tp -62.1 -41.19 97.96 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.493 0.496 . . . . 71.4 110.788 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.58 -47.14 86.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.455 0.702 . . . . 70.34 110.455 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.495 ' HE2' HG11 ' A' ' 83' ' ' VAL . 29.7 mtpp -60.56 -51.64 68.56 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 114.67 -1.15 . . . . 72.05 111.198 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.2 t -66.32 -35.62 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 123.165 0.586 . . . . 75.35 111.208 -174.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.617 ' HB3' HD12 ' A' ' 16' ' ' ILE . 53.2 mt -70.5 -40.04 73.77 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.102 0.561 . . . . 74.12 111.167 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -73.34 -32.34 64.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.742 0.417 . . . . 74.53 110.278 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -60.92 -51.57 68.71 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.178 -0.675 . . . . 72.11 109.178 171.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.64 ' SG ' HD13 ' A' ' 100' ' ' ILE . 94.4 m -59.22 -31.57 69.17 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 114.877 -1.056 . . . . 43.15 111.032 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.548 ' HA ' HD13 ' A' ' 20' ' ' ILE . 14.2 ttp180 -61.51 -48.52 80.68 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 122.428 0.291 . . . . 72.41 110.638 174.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -63.02 -40.35 97.48 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.76 0.424 . . . . 51.23 111.091 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -70.57 -24.8 62.84 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.832 0.853 . . . . 64.32 111.485 -178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -80.57 -38.53 29.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.907 0.483 . . . . 73.25 110.033 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 13.0 mm100 -71.17 -30.34 66.32 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.773 0.671 . . . . 60.31 110.878 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -127.3 84.43 63.43 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 108.231 -1.026 . . . . 73.41 108.231 174.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.27 95.48 0.32 Allowed 'Trans proline' 0 C--N 1.381 2.274 0 C-N-CA 123.076 2.517 . . . . 73.01 111.746 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.61 157.91 30.5 Favored Glycine 0 C--N 1.336 0.567 0 CA-C-N 115.651 -0.704 . . . . 52.34 111.663 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.3 -110.95 0.24 Allowed Glycine 0 C--N 1.336 0.539 0 N-CA-C 110.659 -0.977 . . . . 72.21 110.659 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.6 m 61.85 8.97 2.69 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.571 1.148 . . . . 71.33 113.582 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.05 41.62 85.6 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.333 0.395 . . . . 53.43 112.975 -172.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.66 144.41 57.24 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.023 0.529 . . . . 73.4 110.094 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -73.42 78.38 1.39 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 121.988 0.899 . . . . 73.23 110.094 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.458 ' H ' HD12 ' A' ' 73' ' ' ILE . 30.5 t70 -146.27 -62.43 0.31 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 114.347 -1.297 . . . . 75.13 108.388 176.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.458 HD12 ' H ' ' A' ' 72' ' ' ASP . 3.4 mp 47.75 87.9 0.11 Allowed Pre-proline 0 CA--C 1.561 1.404 0 C-N-CA 125.131 1.372 . . . . 73.02 110.11 -177.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.89 146.24 87.38 Favored 'Trans proline' 0 C--N 1.373 1.867 0 C-N-CA 122.786 2.324 . . . . 71.45 112.246 -173.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -46.05 -37.5 17.72 Favored 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 124.198 3.265 . . . . 71.15 114.834 -176.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -57.79 -56.46 21.71 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.565 0.541 . . . . 74.02 110.574 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.11 -27.01 62.35 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.472 1.109 . . . . 73.34 110.536 -171.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -68.61 -51.38 43.02 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.187 -0.915 . . . . 72.02 109.988 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -76.25 -22.91 54.59 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.448 0.699 . . . . 70.34 111.678 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.443 ' HE2' HD21 ' A' ' 103' ' ' LEU . 57.5 t80 -60.53 -48.53 81.38 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.877 0.871 . . . . 71.53 110.564 175.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 83.6 m -75.44 -11.12 59.97 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.851 -1.068 . . . . 63.2 111.657 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -77.75 83.24 4.11 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 109.212 -0.662 . . . . 73.42 109.212 172.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.495 HG11 ' HE2' ' A' ' 53' ' ' LYS . 17.2 m -131.74 173.56 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.446 1.098 . . . . 72.21 109.096 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.23 159.95 19.62 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.31 0.644 . . . . 72.24 109.678 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 59.7 tp60 -60.27 -49.9 88.44 Favored Pre-proline 0 CA--C 1.567 1.618 0 CA-C-O 118.444 -0.788 . . . . 75.4 112.616 -172.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 46.8 Cg_exo -60.65 -33.66 93.11 Favored 'Trans proline' 0 C--N 1.386 2.543 0 C-N-CA 121.837 1.691 . . . . 53.52 113.134 171.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 m -67.92 -30.34 69.64 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.789 0.835 . . . . 65.51 111.427 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 85' ' ' GLN . 65.1 mt -57.89 -47.43 82.79 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.642 0.777 . . . . 41.13 110.38 170.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -67.9 -30.16 69.44 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.298 -0.865 . . . . 74.44 111.237 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.432 ' HB3' HG13 ' A' ' 50' ' ' ILE . 23.2 mm-40 -64.05 -40.74 96.96 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.123 0.569 . . . . 73.42 111.172 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.502 HD23 HG23 ' A' ' 50' ' ' ILE . 95.4 mt -66.05 -35.85 81.65 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.292 0.637 . . . . 75.53 110.488 176.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.97 -40.93 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.827 0.851 . . . . 74.2 110.384 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.0 mt -64.43 -45.66 86.55 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.64 0.776 . . . . 73.25 110.608 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.42 77.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.787 0.835 . . . . 62.25 111.764 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.519 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -70.01 -37.64 75.72 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.202 0.601 . . . . 73.22 111.496 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.44 -35.54 68.32 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.395 0.678 . . . . 72.43 110.189 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -70.25 -39.7 74.86 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.975 0.91 . . . . 61.52 111.57 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.8 mt -99.0 -2.44 37.31 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.428 0.691 . . . . 65.45 111.636 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.404 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 23.3 t0 54.81 40.49 31.98 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.414 1.486 . . . . 73.32 111.758 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.64 HD13 ' SG ' ' A' ' 58' ' ' CYS . 38.1 mt -86.86 86.46 2.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 108.152 -1.055 . . . . 61.1 108.152 173.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -60.59 -38.82 60.99 Favored Pre-proline 0 CA--C 1.559 1.296 0 CA-C-N 114.645 -1.161 . . . . 74.44 112.324 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -47.49 -56.12 3.35 Favored 'Trans proline' 0 C--N 1.4 3.283 0 C-N-CA 122.55 2.166 . . . . 72.13 114.165 170.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.5 tm? -67.94 -41.55 82.37 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.513 0.508 . . . . 64.51 109.871 -176.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.436 ' HB2' ' HB1' ' A' ' 95' ' ' ALA . 44.9 tp -58.98 -44.43 91.58 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.078 0.862 . . . . 70.22 110.723 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.83 -43.57 75.26 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.724 0.809 . . . . 74.1 110.973 -175.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.99 -36.33 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 123.102 0.561 . . . . 52.13 111.283 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.2 m -70.13 -37.86 75.39 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 109.97 -0.382 . . . . 61.25 109.97 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.0 m -68.72 -30.13 68.71 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.437 0.695 . . . . 75.02 110.816 175.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.11 -48.31 62.87 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.484 -0.562 . . . . 74.24 109.484 174.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.7 m -58.33 -51.81 68.24 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.634 0.774 . . . . 73.32 111.574 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.5 m -64.64 -33.79 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 123.448 0.468 . . . . 74.22 110.835 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.73 -39.04 84.3 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.553 0.533 . . . . 75.25 110.659 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -70.05 -26.21 63.91 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.963 0.505 . . . . 74.03 111.533 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.424 ' HE2' ' HB2' ' A' ' 114' ' ' MET . 42.0 mtm -74.61 -49.33 22.02 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 110.025 -0.361 . . . . 73.41 110.025 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' B' ' 86' ' ' PRO . 16.6 pt -78.0 -30.44 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.174 0.59 . . . . 63.44 111.909 -174.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -88.89 -14.11 37.56 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.507 0.723 . . . . 73.34 110.721 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.278 0 CA-C-O 119.244 -0.754 . . . . 72.4 113.182 179.418 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.714 0.292 . . . . 74.13 111.011 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 82.3 mt -94.81 124.28 38.76 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.949 0.9 . . . . 75.3 110.474 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m -79.65 125.71 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 109.653 -0.499 . . . . 64.21 109.653 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.578 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 92.4 mttt -86.23 101.0 12.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.86 0.864 . . . . 70.42 109.111 -176.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.3 mt -110.11 98.53 7.78 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.738 0.815 . . . . 73.32 109.485 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 42' ' ' PRO . 7.9 mp0 -75.5 149.72 38.36 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.0 0.429 . . . . 75.03 109.969 179.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.1 p -92.8 -179.0 5.01 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.43 -0.804 . . . . 74.55 110.746 175.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -61.65 -28.36 69.33 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.09 -0.959 . . . . 73.03 110.115 168.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.597 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 35.5 t70 -91.33 10.28 28.06 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.462 1.105 . . . . 75.53 110.733 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 75.42 -1.26 3.07 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.896 1.278 . . . . 65.32 113.105 166.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.51 ' HD2' ' HB2' ' B' ' 48' ' ' SER . 93.4 mttt -70.5 124.22 23.68 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.852 -0.53 . . . . 73.22 110.575 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.04 109.33 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 124.059 0.944 . . . . 63.44 109.945 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -100.71 92.29 5.02 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.733 0.778 . . . . 64.1 110.009 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.578 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.9 mt-10 -82.53 93.32 7.26 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.43 -1.259 . . . . 74.53 109.602 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.612 HD12 ' HB3' ' B' ' 55' ' ' LEU . 12.4 tt -110.97 155.68 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.631 0.772 . . . . 64.13 109.442 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -57.44 129.03 40.0 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 123.722 0.809 . . . . 73.51 109.333 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.7 -37.76 76.81 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 124.257 0.973 . . . . 73.51 111.865 -174.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.75 -32.14 68.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.261 1.024 . . . . 74.22 112.074 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' B' ' 59' ' ' ARG . 50.0 mt -81.11 -39.73 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.858 0.863 . . . . 71.45 110.3 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.439 ' HB1' HG21 ' B' ' 27' ' ' ILE . . . -65.75 -21.07 66.49 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.722 -0.672 . . . . 75.05 111.909 176.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 73.3 m -69.74 -24.53 63.56 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.493 0.717 . . . . 64.33 111.931 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 15.1 mtm -68.46 -32.0 71.7 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 122.505 0.322 . . . . 63.04 110.523 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 69.7 m -67.15 112.23 4.34 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.111 -1.07 . . . . 65.43 108.111 165.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 67.6 t -60.49 -33.66 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 123.788 0.68 . . . . 64.44 110.53 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 94.3 m -67.75 -51.53 48.0 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.031 0.532 . . . . 74.42 111.685 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.439 HG21 ' HB1' ' B' ' 21' ' ' ALA . 75.2 mt -65.18 -42.73 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.918 0.487 . . . . 72.34 110.118 -178.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -58.08 -50.5 73.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.944 0.898 . . . . 73.14 110.713 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.75 -28.48 69.91 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.642 0.777 . . . . 74.22 111.651 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.1 mtt -68.84 -45.75 70.32 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.489 0.316 . . . . 72.1 110.641 174.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.32 -35.8 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 122.933 0.493 . . . . 73.15 110.442 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -77.1 -46.42 23.64 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.271 0.628 . . . . 73.34 111.944 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -78.31 -46.27 20.55 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.09 0.556 . . . . 71.11 111.729 -170.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -74.53 -34.71 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.334 0.654 . . . . 64.42 109.713 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.9 177.79 21.06 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-N 115.38 -0.827 . . . . 43.5 111.071 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -67.12 89.83 0.19 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.405 0.682 . . . . 74.01 109.499 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 27.1 m -93.66 114.17 26.43 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.214 -0.903 . . . . 43.14 109.648 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -76.55 -18.58 58.61 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.35 0.66 . . . . 72.23 110.609 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.5 m -66.89 144.36 98.5 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 123.634 0.774 . . . . 72.31 109.972 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.404 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 86.1 Cg_endo -74.18 149.96 41.69 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.626 2.218 . . . . 70.34 111.644 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -104.55 102.74 35.88 Favored Pre-proline 0 CA--C 1.553 1.073 0 N-CA-C 109.132 -0.692 . . . . 45.3 109.132 -175.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' B' ' 7' ' ' GLU . 94.0 Cg_endo -85.1 109.07 1.19 Allowed 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.478 2.119 . . . . 73.44 112.565 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -84.89 102.53 2.36 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 123.615 0.766 . . . . 73.03 109.026 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -84.9 11.52 3.35 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.93 2.42 . . . . 62.33 113.471 -174.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -98.72 -60.22 1.58 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.674 0.79 . . . . 73.51 110.675 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.27 131.04 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 122.821 0.448 . . . . 62.23 110.781 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 38.4 p -72.66 168.21 19.17 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.0 0.92 . . . . 72.22 111.858 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.597 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.7 p -69.46 -47.28 64.45 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.399 0.518 . . . . 73.31 112.399 -172.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 55.5 p -56.98 -46.54 82.15 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.097 0.873 . . . . 74.01 110.704 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.507 HG23 HD23 ' B' ' 91' ' ' LEU . 46.2 mm -75.62 -43.85 40.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.101 -0.954 . . . . 75.34 110.754 -174.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 38.5 tp -62.02 -41.33 97.98 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.548 0.53 . . . . 45.23 110.704 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.57 -46.84 88.17 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.591 0.756 . . . . 73.23 110.349 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.469 ' HE2' HG11 ' B' ' 83' ' ' VAL . 29.1 mtpp -60.86 -51.34 69.7 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.645 -1.161 . . . . 72.24 111.335 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.0 t -66.59 -35.52 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.19 0.596 . . . . 71.3 111.098 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.612 ' HB3' HD12 ' B' ' 16' ' ' ILE . 55.1 mt -70.21 -40.14 74.73 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.01 0.524 . . . . 74.44 111.393 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.75 -31.38 63.31 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.897 0.479 . . . . 71.33 110.486 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -61.48 -52.11 65.89 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.136 -0.69 . . . . 60.43 109.136 170.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.653 ' SG ' HD13 ' B' ' 100' ' ' ILE . 89.5 m -58.74 -31.54 68.4 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 114.865 -1.061 . . . . 52.33 111.109 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.556 ' HA ' HD13 ' B' ' 20' ' ' ILE . 14.2 ttp180 -61.65 -48.48 80.65 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.444 0.298 . . . . 74.4 110.807 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -63.1 -40.3 97.24 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.678 0.391 . . . . 44.01 111.014 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -71.06 -24.97 62.44 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.816 0.846 . . . . 51.5 111.389 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -79.83 -39.12 31.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.74 0.416 . . . . 73.41 109.903 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 13.5 mm100 -70.38 -32.97 70.87 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.01 0.819 . . . . 65.14 110.519 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -124.34 85.03 55.86 Favored Pre-proline 0 N--CA 1.474 0.74 0 N-CA-C 108.307 -0.998 . . . . 61.1 108.307 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.85 95.73 0.36 Allowed 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.919 2.413 . . . . 63.31 111.816 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.11 159.68 33.12 Favored Glycine 0 CA--C 1.522 0.512 0 CA-C-N 115.696 -0.684 . . . . 71.24 111.751 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.39 -109.23 0.22 Allowed Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.868 -0.893 . . . . 70.22 110.868 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 52.6 m 60.23 9.15 1.79 Allowed 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 125.034 1.333 . . . . 65.01 113.332 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.2 41.26 86.06 Favored Glycine 0 C--N 1.353 1.522 0 CA-C-O 119.988 -0.34 . . . . 54.35 112.915 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.65 143.59 57.71 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.956 0.503 . . . . 74.24 110.347 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.09 79.31 0.94 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-O 121.926 0.869 . . . . 73.04 109.91 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ASP . . . . . 0.484 ' H ' HD12 ' B' ' 73' ' ' ILE . 32.4 t70 -146.08 -63.38 0.32 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.35 -1.296 . . . . 74.55 107.821 175.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.484 HD12 ' H ' ' B' ' 72' ' ' ASP . 3.4 mp 48.88 87.7 0.12 Allowed Pre-proline 0 CA--C 1.558 1.25 0 C-N-CA 125.133 1.373 . . . . 60.32 110.231 -177.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -58.24 146.05 90.54 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.717 2.278 . . . . 72.32 112.381 -173.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -47.37 -35.5 21.22 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 124.178 3.252 . . . . 63.01 114.661 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -58.59 -57.03 14.75 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.408 0.442 . . . . 74.13 110.508 174.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.97 -26.45 62.26 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.651 1.18 . . . . 72.34 110.506 -171.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -69.1 -52.05 32.36 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.186 -0.916 . . . . 62.24 109.723 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -75.21 -23.25 57.59 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.303 0.641 . . . . 74.43 111.618 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.45 ' HE2' HD21 ' B' ' 103' ' ' LEU . 58.4 t80 -60.27 -48.33 82.18 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.903 0.881 . . . . 74.21 110.698 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 86.3 m -75.82 -11.4 59.97 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.851 -1.068 . . . . 61.42 111.799 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -78.02 83.5 4.32 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 108.895 -0.78 . . . . 73.05 108.895 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.469 HG11 ' HE2' ' B' ' 53' ' ' LYS . 17.0 m -131.51 174.81 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.446 1.098 . . . . 72.54 109.138 176.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.3 159.29 24.21 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.349 0.66 . . . . 62.25 109.592 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.444 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 60.9 tp60 -60.0 -49.41 91.29 Favored Pre-proline 0 CA--C 1.566 1.58 0 CA-C-O 118.558 -0.734 . . . . 72.01 112.626 -172.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.46 ' HA ' HD12 ' A' ' 115' ' ' ILE . 51.8 Cg_exo -60.3 -33.7 94.29 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 121.936 1.758 . . . . 73.12 113.698 171.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.4 m -68.07 -30.37 69.56 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.733 0.813 . . . . 74.32 111.427 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.42 HD13 HG12 ' B' ' 111' ' ' VAL . 67.3 mt -58.03 -47.61 82.56 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.526 0.73 . . . . 75.12 110.262 171.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -67.27 -29.89 69.62 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.178 -0.919 . . . . 71.43 111.544 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.442 ' HB3' HG13 ' B' ' 50' ' ' ILE . 16.3 mm-40 -63.84 -41.25 97.86 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.042 0.537 . . . . 73.1 111.209 174.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.507 HD23 HG23 ' B' ' 50' ' ' ILE . 95.0 mt -66.02 -35.78 81.49 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.832 -0.622 . . . . 64.4 110.216 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 81.2 mt -67.07 -40.97 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 123.723 0.809 . . . . 63.01 110.524 175.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.31 -46.19 84.65 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.612 0.765 . . . . 63.25 110.673 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.04 -35.42 78.24 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.71 0.804 . . . . 73.44 111.728 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.506 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -70.16 -37.32 75.17 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.231 0.613 . . . . 62.41 111.601 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.73 -35.95 67.65 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.496 0.719 . . . . 61.53 110.163 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -70.0 -39.83 75.65 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.021 0.928 . . . . 73.21 111.548 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 94.0 mt -98.87 -2.92 36.53 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.398 0.679 . . . . 74.23 111.523 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 22.8 t0 55.07 40.89 32.07 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.457 1.503 . . . . 75.53 111.742 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.653 HD13 ' SG ' ' B' ' 58' ' ' CYS . 37.5 mt -87.06 86.79 2.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.104 -1.073 . . . . 73.22 108.104 173.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -60.5 -38.77 60.93 Favored Pre-proline 0 CA--C 1.56 1.345 0 CA-C-N 114.581 -1.19 . . . . 33.43 112.447 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -47.34 -56.38 3.11 Favored 'Trans proline' 0 C--N 1.401 3.332 0 C-N-CA 122.655 2.236 . . . . 61.31 114.152 170.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.5 tm? -67.93 -41.58 82.34 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.036 -0.529 . . . . 73.22 109.781 -176.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.437 ' HB2' ' HB1' ' B' ' 95' ' ' ALA . 45.2 tp -58.89 -44.21 91.11 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.086 0.866 . . . . 73.12 110.744 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -69.16 -43.84 73.48 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.747 0.819 . . . . 70.2 110.808 -175.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.73 -36.01 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.053 0.541 . . . . 75.32 111.429 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.5 m -70.52 -37.83 74.17 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.67 0.388 . . . . 64.1 109.999 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.57 -30.16 68.87 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.436 0.694 . . . . 64.43 110.853 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.56 -47.92 62.04 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.603 -0.517 . . . . 74.14 109.603 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' THR . . . . . 0.405 ' O ' ' HG3' ' B' ' 114' ' ' MET . 89.9 m -58.36 -51.56 69.29 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.838 0.711 . . . . 34.23 111.728 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.42 HG12 HD13 ' B' ' 88' ' ' LEU . 35.1 m -64.77 -33.5 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 123.514 0.509 . . . . 74.13 110.942 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.33 86.57 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 123.646 0.591 . . . . 74.43 110.609 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -69.28 -25.7 64.38 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.266 0.626 . . . . 71.04 111.855 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' MET . . . . . 0.421 ' HE2' ' HB2' ' B' ' 114' ' ' MET . 41.3 mtm -75.26 -48.77 21.73 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.53 0.332 . . . . 60.25 110.302 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 19.0 pt -77.87 -31.83 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 116.013 -0.54 . . . . 71.12 111.729 -174.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -88.17 -15.58 35.67 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.41 0.684 . . . . 73.54 110.941 177.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.185 0 CA-C-O 119.05 -0.861 . . . . 71.44 113.218 -177.788 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 121.023 0.44 . . . . 73.02 110.756 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.3 mt -102.3 141.64 34.8 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.621 0.768 . . . . 73.24 109.025 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 m -107.99 138.11 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.951 0.901 . . . . 64.52 108.947 172.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.583 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 58.4 mttp -93.84 118.48 31.5 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.998 0.919 . . . . 72.24 110.101 -175.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -118.11 103.42 9.86 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.542 -0.91 . . . . 72.54 108.542 174.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' A' ' 13' ' ' VAL . 3.1 mp0 -70.74 143.65 51.2 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.08 -0.711 . . . . 74.23 109.08 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.7 p -88.77 174.05 8.21 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.159 -0.682 . . . . 62.24 109.159 171.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -62.22 -23.36 66.6 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.431 0.693 . . . . 74.33 110.33 170.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 23.0 t70 -86.61 6.47 30.77 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 125.081 1.352 . . . . 74.05 111.35 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 73.03 5.74 5.21 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.102 1.361 . . . . 74.3 113.668 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -84.25 123.82 30.54 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.52 0.328 . . . . 64.22 110.163 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.563 HG22 ' HG3' ' A' ' 7' ' ' GLU . 59.4 t -81.7 116.84 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.321 1.048 . . . . 44.31 109.627 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -106.01 101.49 10.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.551 0.741 . . . . 75.51 110.167 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.583 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 35.8 mt-10 -90.13 93.89 9.56 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.146 -0.933 . . . . 73.02 109.39 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.669 HD12 ' HB3' ' A' ' 55' ' ' LEU . 8.4 tt -99.22 156.97 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.652 0.781 . . . . 74.12 109.044 177.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.92 132.56 54.34 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.477 0.711 . . . . 74.41 109.63 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -61.11 -32.61 72.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.506 1.122 . . . . 72.41 111.983 -172.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.07 -34.58 77.96 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.131 0.572 . . . . 74.4 111.641 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 59' ' ' ARG . 33.6 mt -81.08 -29.93 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.444 0.698 . . . . 71.32 110.322 -177.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -20.71 65.65 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.464 0.706 . . . . 63.04 111.877 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.9 m -69.15 -23.34 63.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.793 0.837 . . . . 54.44 112.172 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.661 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 84.0 mtp -66.13 -33.85 76.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.187 0.595 . . . . 55.02 111.142 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.57 ' HA ' HG12 ' A' ' 100' ' ' ILE . 35.6 t -73.87 111.6 9.18 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.638 -1.245 . . . . 61.35 107.638 168.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.91 -43.64 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 123.727 0.642 . . . . 74.41 110.768 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.3 m -61.63 -52.08 65.85 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.278 0.631 . . . . 42.04 112.1 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.15 -45.1 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.877 0.471 . . . . 75.31 110.101 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -56.22 -53.31 58.66 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.163 0.985 . . . . 72.44 110.806 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.05 -38.62 83.35 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.949 0.78 . . . . 71.13 111.245 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.7 mtm -68.58 -39.61 80.9 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.509 0.505 . . . . 73.55 111.31 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.83 -41.74 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.632 -0.507 . . . . 71.2 109.632 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -72.07 -32.22 66.85 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.935 0.894 . . . . 70.42 111.656 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.94 -37.28 78.79 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.236 1.014 . . . . 73.13 110.32 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -80.36 -28.17 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 CA-C-N 115.24 -0.891 . . . . 41.33 109.964 174.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 -63.09 0.37 Allowed Glycine 0 C--N 1.343 0.935 0 N-CA-C 109.822 -1.311 . . . . 71.23 109.822 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -163.79 99.08 0.88 Allowed 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 107.543 -1.28 . . . . 74.23 107.543 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.1 t -79.64 103.67 9.71 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 122.77 0.428 . . . . 32.44 110.098 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -74.17 -27.77 60.98 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.593 0.757 . . . . 73.31 109.383 169.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.0 m -71.1 149.19 94.55 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-N 114.551 -1.204 . . . . 75.25 110.546 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 74.1 Cg_endo -70.76 144.81 49.68 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.657 2.238 . . . . 75.13 112.391 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.22 102.12 45.04 Favored Pre-proline 0 CA--C 1.55 0.971 0 N-CA-C 108.375 -0.972 . . . . 63.0 108.375 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.98 120.05 6.76 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.818 2.345 . . . . 74.3 111.161 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.493 HD13 HD21 ' A' ' 98' ' ' LEU . 67.5 mt -99.55 93.36 2.27 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 124.825 1.25 . . . . 63.41 109.141 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -83.83 -1.09 9.91 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.945 2.43 . . . . 64.2 114.373 -170.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -89.23 -40.11 13.07 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.016 0.436 . . . . 75.52 110.373 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG11 HD13 ' A' ' 51' ' ' LEU . 12.1 p -90.79 136.42 24.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 122.959 0.504 . . . . 62.32 110.269 -174.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.9 p -81.54 166.26 20.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.631 0.772 . . . . 61.32 110.218 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.541 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 63.7 p -66.83 -44.13 81.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.088 0.555 . . . . 74.31 112.133 -171.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.6 m -57.38 -40.9 79.16 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 124.243 0.964 . . . . 53.35 110.958 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.612 HG23 HD23 ' A' ' 91' ' ' LEU . 49.6 mm -78.22 -44.12 27.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.262 -0.881 . . . . 53.4 110.778 -176.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.429 HD13 HG11 ' A' ' 46' ' ' VAL . 29.0 tp -64.14 -37.03 85.97 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.977 -0.379 . . . . 65.4 109.977 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.32 -54.88 41.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.509 1.123 . . . . 65.31 111.325 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.81 -31.23 51.6 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.881 -1.054 . . . . 74.33 111.72 -170.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.12 -44.75 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.553 0.741 . . . . 72.04 110.082 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.669 ' HB3' HD12 ' A' ' 16' ' ' ILE . 66.2 mt -65.31 -36.39 83.9 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 123.515 0.51 . . . . 72.41 110.901 177.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -75.37 -32.15 60.73 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.158 0.583 . . . . 73.41 111.585 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -64.37 -48.23 76.27 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.037 -0.727 . . . . 65.35 109.037 173.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 80.9 m -60.51 -33.88 73.29 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 115.127 -0.942 . . . . 61.33 110.569 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.512 ' HA ' HD13 ' A' ' 20' ' ' ILE . 40.1 ttm105 -58.44 -52.44 65.62 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 123.191 0.596 . . . . 74.34 110.586 175.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -61.23 -41.55 97.07 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.695 0.622 . . . . 61.32 111.359 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -73.11 -22.87 60.47 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.23 0.612 . . . . 74.22 110.627 -176.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.661 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 39.9 t60 -76.9 -45.4 28.17 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.793 0.837 . . . . 73.11 110.084 176.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -69.4 -37.0 77.3 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.175 0.99 . . . . 75.23 110.501 -178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -124.36 88.81 52.72 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 123.83 0.852 . . . . 75.31 109.011 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -63.16 -20.33 70.73 Favored 'Trans proline' 0 C--N 1.381 2.28 0 C-N-CA 123.473 2.782 . . . . 70.34 112.93 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.07 -4.2 58.61 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-N 116.093 -0.503 . . . . 44.32 113.195 175.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.87 78.16 0.39 Allowed Glycine 0 C--N 1.357 1.714 0 N-CA-C 112.228 -0.349 . . . . 52.41 112.228 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.4 m -84.71 -5.9 59.34 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.721 0.808 . . . . 75.54 111.665 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.34 -84.02 0.97 Allowed Glycine 0 C--N 1.347 1.153 0 N-CA-C 111.759 -0.536 . . . . 61.32 111.759 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 54.3 tp -76.85 86.04 3.42 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 123.448 0.699 . . . . 72.14 109.917 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.0 t70 172.09 -58.87 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.942 1.697 . . . . 73.43 107.021 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -128.41 109.63 11.59 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 113.496 -1.684 . . . . 71.31 106.715 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.3 mm -84.7 109.94 23.87 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 109.614 -0.513 . . . . 74.15 109.614 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.44 153.52 35.17 Favored 'Trans proline' 0 C--N 1.381 2.275 0 C-N-CA 123.008 2.472 . . . . 61.21 111.319 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -59.73 -61.21 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.287 0 C-N-CA 122.851 2.367 . . . . 64.35 113.082 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -60.43 -42.17 95.52 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.383 0.673 . . . . 74.33 111.144 -177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -28.7 67.54 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.69 0.796 . . . . 54.44 111.296 -173.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HG2' ' HE3' ' A' ' 82' ' ' LYS . 67.9 ttt180 -70.85 -45.19 64.92 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.988 0.515 . . . . 73.33 109.614 173.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -69.42 -23.52 63.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 115.56 -0.746 . . . . 74.21 111.308 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.1 -41.12 95.25 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.231 1.012 . . . . 72.13 110.25 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.2 m -70.21 -24.36 63.09 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.486 -0.779 . . . . 74.45 110.978 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.403 ' HE3' ' HG2' ' A' ' 78' ' ' ARG . 90.8 mttt -76.77 86.16 3.38 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 123.151 0.58 . . . . 72.01 109.712 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.1 m -132.49 162.95 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.883 0.873 . . . . 72.43 110.381 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -69.25 161.04 30.07 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.965 0.906 . . . . 64.3 109.069 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -57.91 -48.48 97.05 Favored Pre-proline 0 CA--C 1.572 1.798 0 CA-C-O 118.299 -0.857 . . . . 72.13 112.799 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.99 -40.0 22.23 Favored 'Trans proline' 0 C--N 1.397 3.123 0 C-N-CA 121.67 1.58 . . . . 72.41 111.917 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.4 m -63.21 -29.85 71.11 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.682 1.193 . . . . 63.23 111.513 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.49 -45.06 76.97 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.058 0.943 . . . . 72.34 109.471 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.471 ' HD2' HD13 ' B' ' 115' ' ' ILE . 22.1 m-85 -70.98 -30.07 66.23 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.559 -0.746 . . . . 72.53 110.94 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.542 ' HB3' HG13 ' A' ' 50' ' ' ILE . 21.0 mm-40 -60.62 -38.84 86.08 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.442 0.697 . . . . 74.44 110.871 171.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.612 HD23 HG23 ' A' ' 50' ' ' ILE . 82.7 mt -64.62 -38.43 90.99 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.273 0.629 . . . . 65.12 110.995 175.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.447 HG22 ' SG ' ' B' ' 108' ' ' CYS . 39.2 mt -67.23 -41.33 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.169 0.588 . . . . 72.13 110.191 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.88 -39.59 94.56 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.692 0.797 . . . . 73.25 110.837 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.98 -35.27 62.06 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.517 0.727 . . . . 43.01 111.634 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.535 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.3 -29.19 63.62 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.272 0.629 . . . . 75.32 111.245 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -75.95 -49.35 17.98 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.003 0.921 . . . . 73.53 109.621 172.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.411 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 65.7 t80 -60.15 -41.07 91.96 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.478 1.111 . . . . 70.23 112.212 -176.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.493 HD21 HD13 ' A' ' 43' ' ' LEU . 88.3 mt -94.83 -12.33 27.19 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.859 0.864 . . . . 75.44 111.148 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 50.32 73.91 0.25 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.215 1.406 . . . . 55.43 111.231 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.57 HG12 ' HA ' ' A' ' 24' ' ' SER . 34.4 mt -119.32 108.61 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 108.224 -1.028 . . . . 72.11 108.224 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -58.41 -48.22 97.36 Favored Pre-proline 0 CA--C 1.565 1.537 0 CA-C-O 117.847 -1.073 . . . . 75.42 112.816 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -55.29 -45.2 42.03 Favored 'Trans proline' 0 C--N 1.402 3.363 0 C-N-CA 122.257 1.971 . . . . 72.3 113.379 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.535 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -65.72 -52.71 49.05 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.276 0.63 . . . . 74.52 109.326 -176.384 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.34 -48.15 83.0 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 124.421 1.076 . . . . 64.55 110.803 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.85 -50.81 69.45 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.243 0.964 . . . . 64.34 110.973 -175.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.14 -43.93 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 123.46 0.704 . . . . 73.12 111.075 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.3 m -71.82 -31.73 66.83 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 123.411 0.684 . . . . 73.53 111.473 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.47 ' SG ' HG22 ' B' ' 92' ' ' ILE . 71.1 m -73.22 -31.63 64.27 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.513 0.725 . . . . 64.21 110.316 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.77 -31.28 61.73 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.384 0.674 . . . . 51.21 110.239 175.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.405 ' O ' ' HG3' ' A' ' 114' ' ' MET . 48.2 m -60.51 -52.41 65.29 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.967 0.507 . . . . 75.42 110.729 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.88 -33.62 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 122.837 0.455 . . . . 72.11 111.488 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.83 78.74 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.251 0.62 . . . . 75.1 110.965 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -72.99 -31.71 64.68 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.474 0.71 . . . . 52.3 111.205 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 110' ' ' THR . 50.9 mtm -66.1 -39.4 89.95 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.316 0.385 . . . . 71.12 110.795 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.498 HD13 ' HD2' ' B' ' 89' ' ' PHE . 50.7 pt -89.26 -7.73 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 116.156 -0.474 . . . . 75.34 111.993 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -83.94 86.54 7.16 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.812 -0.44 . . . . 75.34 109.812 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 CA-C-O 119.413 -0.66 . . . . 64.34 111.974 178.269 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.3 p . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.766 0.317 . . . . 62.25 110.407 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.9 mt -104.0 141.2 36.59 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.73 0.812 . . . . 73.21 109.146 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.7 m -107.33 137.5 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.842 0.857 . . . . 75.32 109.194 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.573 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 58.3 mttp -93.48 118.24 31.08 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.963 0.905 . . . . 73.51 110.141 -175.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.97 103.72 10.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.434 -0.95 . . . . 73.43 108.434 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.538 ' HG3' HG22 ' B' ' 13' ' ' VAL . 3.1 mp0 -71.09 144.42 50.32 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.143 -0.688 . . . . 71.42 109.143 173.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.5 p -89.75 174.52 7.67 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.105 -0.702 . . . . 64.14 109.105 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -62.4 -23.49 66.86 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.687 -0.688 . . . . 75.12 110.296 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.536 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 23.9 t70 -85.79 4.87 35.03 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 125.261 1.425 . . . . 72.23 111.455 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 72.32 8.74 5.83 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.943 1.297 . . . . 75.44 113.466 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.19 123.78 31.85 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 110.054 -0.35 . . . . 72.45 110.054 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.538 HG22 ' HG3' ' B' ' 7' ' ' GLU . 61.5 t -81.42 117.2 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.194 0.997 . . . . 62.24 109.845 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.89 100.97 10.44 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.521 0.728 . . . . 74.15 110.12 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.573 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.6 mt-10 -89.75 94.1 9.71 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.178 -0.919 . . . . 61.51 109.154 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.666 HD12 ' HB3' ' B' ' 55' ' ' LEU . 8.3 tt -99.22 157.16 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 N-CA-C 108.966 -0.753 . . . . 53.41 108.966 177.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.17 132.85 55.22 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.348 0.659 . . . . 72.22 109.724 176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.92 -33.42 73.12 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.403 1.081 . . . . 74.12 111.662 -171.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.79 -35.5 80.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.337 0.655 . . . . 64.33 111.439 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' B' ' 59' ' ' ARG . 33.0 mt -80.77 -29.79 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 123.185 0.594 . . . . 71.3 110.181 -177.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.18 -20.65 65.6 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.469 0.708 . . . . 72.0 111.865 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 56.3 m -69.09 -24.08 64.09 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.667 0.787 . . . . 72.11 112.047 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' MET . . . . . 0.659 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 85.3 mtp -65.49 -34.0 77.25 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.134 0.574 . . . . 73.25 111.256 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.575 ' HA ' HG12 ' B' ' 100' ' ' ILE . 35.3 t -73.57 112.07 9.31 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 107.556 -1.275 . . . . 75.44 107.556 168.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.48 -43.78 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.749 0.655 . . . . 61.34 110.717 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 92.9 m -61.43 -52.38 64.82 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.235 0.614 . . . . 54.54 111.986 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 70.2 mt -61.0 -44.96 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.826 0.45 . . . . 74.24 110.135 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -56.29 -53.23 59.66 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.077 0.951 . . . . 42.44 110.59 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -59.68 -38.92 82.86 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 124.035 0.834 . . . . 54.45 111.197 -176.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 73.3 mtm -68.6 -40.23 80.54 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 123.744 0.652 . . . . 74.14 111.291 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.16 -42.22 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 109.671 -0.492 . . . . 74.23 109.671 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -72.18 -31.86 66.31 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.074 0.95 . . . . 31.3 111.627 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.57 -36.51 76.35 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.296 1.038 . . . . 74.21 110.433 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -80.91 -27.85 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 CA-C-N 115.006 -0.997 . . . . 65.11 109.751 173.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.9 -63.83 0.34 Allowed Glycine 0 C--N 1.343 0.946 0 N-CA-C 109.942 -1.263 . . . . 75.13 109.942 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -162.98 97.38 0.93 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.494 1.117 . . . . 61.52 108.087 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 34.4 t -77.88 103.67 7.96 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.881 0.472 . . . . 41.13 110.561 -177.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -74.5 -26.52 60.05 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.629 0.771 . . . . 60.44 109.662 170.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.9 m -72.49 148.58 90.62 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 124.592 1.157 . . . . 54.15 110.628 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.49 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 67.9 Cg_endo -69.99 144.11 51.78 Favored 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.775 2.317 . . . . 75.0 112.439 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mp -107.42 101.89 41.41 Favored Pre-proline 0 CA--C 1.552 1.037 0 N-CA-C 108.565 -0.902 . . . . 61.32 108.565 177.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.9 119.06 6.04 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.887 2.391 . . . . 62.13 111.268 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.497 HD13 HD21 ' B' ' 98' ' ' LEU . 69.3 mt -98.97 92.9 1.78 Allowed Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 124.732 1.213 . . . . 71.3 109.299 176.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -83.62 -1.27 10.07 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.947 2.431 . . . . 74.34 114.283 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -88.93 -39.21 13.92 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.505 0.322 . . . . 64.51 110.433 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.417 HG11 HD13 ' B' ' 51' ' ' LEU . 11.9 p -91.57 136.68 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.075 0.55 . . . . 60.22 110.371 -174.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.0 p -81.46 166.01 20.72 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.472 0.709 . . . . 75.44 110.261 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.536 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.8 p -66.26 -44.06 84.7 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.016 0.526 . . . . 43.13 112.192 -172.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 35.5 m -56.55 -42.19 78.1 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.239 0.962 . . . . 42.3 111.105 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.614 HG23 HD23 ' B' ' 91' ' ' LEU . 49.7 mm -77.8 -43.94 28.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 114.968 -1.014 . . . . 74.53 110.74 -175.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.417 HD13 HG11 ' B' ' 46' ' ' VAL . 28.9 tp -64.42 -36.43 84.13 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 110.005 -0.369 . . . . 55.42 110.005 -178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.46 -54.37 47.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.285 1.034 . . . . 72.31 111.204 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -31.49 53.06 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.827 -1.079 . . . . 62.34 111.717 -170.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.28 -44.89 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.558 0.743 . . . . 64.43 110.174 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.666 ' HB3' HD12 ' B' ' 16' ' ' ILE . 69.7 mt -65.26 -36.31 83.73 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 122.879 0.472 . . . . 74.32 110.99 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -75.4 -32.26 60.71 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.042 0.537 . . . . 71.34 111.48 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -64.07 -48.47 76.11 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 109.017 -0.734 . . . . 75.2 109.017 172.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 80.1 m -60.16 -33.94 72.88 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 115.058 -0.973 . . . . 74.44 110.632 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.513 ' HA ' HD13 ' B' ' 20' ' ' ILE . 40.5 ttm105 -58.38 -52.77 64.2 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 123.102 0.561 . . . . 72.44 110.65 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -61.5 -41.35 97.15 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.666 0.604 . . . . 75.4 111.259 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -72.64 -22.59 60.92 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.233 0.613 . . . . 74.23 110.835 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' HIS . . . . . 0.659 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 42.4 t60 -77.74 -43.81 29.73 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.884 0.874 . . . . 74.11 110.087 176.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.68 -35.84 73.0 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.116 0.966 . . . . 62.32 110.796 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -125.88 89.5 52.26 Favored Pre-proline 0 C--O 1.24 0.582 0 C-N-CA 124.116 0.967 . . . . 71.53 108.938 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -62.61 -21.01 72.43 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 123.288 2.659 . . . . 73.33 112.848 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.91 -3.39 55.54 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 115.777 -0.647 . . . . 72.25 113.671 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.06 78.71 0.65 Allowed Glycine 0 C--N 1.355 1.587 0 N-CA-C 111.895 -0.482 . . . . 74.11 111.895 173.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.1 m -84.28 -5.98 59.33 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.661 0.784 . . . . 40.31 111.59 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.62 -83.85 1.11 Allowed Glycine 0 C--N 1.35 1.352 0 N-CA-C 111.722 -0.551 . . . . 63.42 111.722 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 53.5 tp -77.11 84.41 3.6 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.733 0.813 . . . . 73.32 109.836 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.3 t70 173.78 -57.09 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 126.085 1.754 . . . . 71.2 107.197 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -131.68 106.43 8.15 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 113.559 -1.655 . . . . 74.11 106.868 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.7 mm -83.23 108.96 14.54 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 123.505 0.722 . . . . 72.31 109.732 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.19 154.44 37.01 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.063 2.509 . . . . 54.2 111.444 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -61.29 -60.31 0.24 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.931 2.421 . . . . 64.15 112.931 -172.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.17 -42.2 94.47 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.507 0.723 . . . . 74.52 111.446 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -29.3 67.97 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.005 0.922 . . . . 73.24 111.242 -173.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.4 ' HG2' ' HE3' ' B' ' 82' ' ' LYS . 68.3 ttt180 -70.36 -45.29 66.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.076 0.551 . . . . 70.25 109.92 173.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.5 -23.33 63.61 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.447 -0.797 . . . . 70.4 111.381 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -65.13 -41.34 94.91 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.046 0.938 . . . . 63.43 110.201 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 59.3 m -69.98 -24.47 63.32 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.338 -0.846 . . . . 75.21 110.94 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.4 ' HE3' ' HG2' ' B' ' 78' ' ' ARG . 90.6 mttt -76.8 87.38 3.4 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 109.53 -0.544 . . . . 73.3 109.53 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 10.4 m -132.4 165.46 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.987 0.915 . . . . 65.12 110.421 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -71.21 161.41 31.14 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.957 0.903 . . . . 64.13 108.996 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -57.72 -48.63 96.87 Favored Pre-proline 0 CA--C 1.569 1.678 0 CA-C-O 118.405 -0.807 . . . . 62.32 112.642 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.73 -39.5 20.28 Favored 'Trans proline' 0 C--N 1.397 3.096 0 C-N-CA 121.521 1.481 . . . . 33.21 112.056 173.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 15.3 m -63.32 -29.88 71.11 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.667 1.187 . . . . 64.21 111.487 -177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tt -67.58 -45.0 76.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.129 0.972 . . . . 42.11 109.464 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.498 ' HD2' HD13 ' A' ' 115' ' ' ILE . 22.0 m-85 -70.95 -29.97 66.13 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.56 -0.745 . . . . 73.14 111.152 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.543 ' HB3' HG13 ' B' ' 50' ' ' ILE . 20.2 mm-40 -60.43 -39.08 86.2 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.597 0.759 . . . . 72.21 111.153 171.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.614 HD23 HG23 ' B' ' 50' ' ' ILE . 83.2 mt -64.54 -38.64 91.71 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.116 0.567 . . . . 61.23 110.931 175.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.47 HG22 ' SG ' ' A' ' 108' ' ' CYS . 39.7 mt -66.9 -41.16 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.167 0.587 . . . . 73.1 110.273 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.11 -39.46 94.09 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.62 0.768 . . . . 53.01 110.944 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.08 -35.48 61.8 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.555 0.742 . . . . 75.1 111.483 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.549 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -71.93 -29.25 64.09 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.344 0.658 . . . . 44.22 111.289 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -76.65 -48.16 19.9 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.12 0.968 . . . . 75.21 110.019 173.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' TYR . . . . . 0.407 ' HE1' ' HB3' ' B' ' 43' ' ' LEU . 68.0 t80 -60.62 -41.67 95.32 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.477 1.111 . . . . 73.05 111.907 -176.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.497 HD21 HD13 ' B' ' 43' ' ' LEU . 88.6 mt -94.39 -12.65 27.47 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.651 0.78 . . . . 75.44 111.09 -178.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 33.5 t70 50.14 74.98 0.19 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.261 1.424 . . . . 71.34 111.179 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.575 HG12 ' HA ' ' B' ' 24' ' ' SER . 34.0 mt -120.11 108.17 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 108.063 -1.088 . . . . 54.52 108.063 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.01 -48.45 97.07 Favored Pre-proline 0 CA--C 1.566 1.577 0 CA-C-O 117.851 -1.071 . . . . 70.41 112.782 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -55.22 -44.84 45.25 Favored 'Trans proline' 0 C--N 1.401 3.29 0 C-N-CA 122.38 2.053 . . . . 75.3 113.519 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.549 HD12 ' HB2' ' B' ' 95' ' ' ALA . 0.3 OUTLIER -66.14 -52.26 50.03 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.306 0.642 . . . . 72.33 109.409 -176.545 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 42.5 tp -60.58 -48.89 79.79 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.32 1.048 . . . . 75.14 110.81 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.1 -50.68 70.97 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.355 1.034 . . . . 71.02 111.016 -175.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 42.6 t -58.21 -43.9 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.591 0.756 . . . . 73.24 111.247 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.8 m -71.99 -31.5 66.3 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.514 0.726 . . . . 65.4 111.451 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.447 ' SG ' HG22 ' A' ' 92' ' ' ILE . 71.3 m -73.46 -31.49 63.81 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.58 0.752 . . . . 62.01 110.314 176.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.13 -31.57 61.14 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.439 0.696 . . . . 75.35 110.136 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 51.2 m -60.06 -52.28 66.04 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.897 0.479 . . . . 72.24 110.867 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 31.6 m -64.12 -33.71 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.83 0.452 . . . . 74.23 111.435 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.33 77.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.264 0.626 . . . . 43.44 110.87 177.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.91 -32.11 65.1 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.605 0.762 . . . . 71.41 111.361 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 46.9 mtm -66.01 -39.66 90.44 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.563 0.539 . . . . 72.14 110.67 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.471 HD13 ' HD2' ' A' ' 89' ' ' PHE . 48.5 pt -88.92 -8.2 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 116.077 -0.51 . . . . 65.34 111.977 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -83.15 87.41 6.92 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.697 -0.483 . . . . 72.21 109.697 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 CA-C-O 119.305 -0.719 . . . . 71.2 111.823 178.369 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 120.596 0.236 . . . . 73.42 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt -82.22 117.75 22.58 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.023 0.529 . . . . 52.35 110.335 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 m -85.29 120.91 36.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 108.877 -0.786 . . . . 72.52 108.877 170.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.544 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 91.1 mttt -84.24 121.67 27.8 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.991 -1.004 . . . . 65.44 108.861 -176.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.9 mt -118.86 104.01 10.15 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.982 0.513 . . . . 72.55 109.74 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG3' HG22 ' A' ' 13' ' ' VAL . 3.0 mp0 -72.74 143.97 47.79 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.136 -0.69 . . . . 75.24 109.136 169.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.4 p -92.15 -177.16 4.59 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 115.277 -0.874 . . . . 72.01 110.112 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.9 p -66.77 -26.08 66.8 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.087 0.555 . . . . 74.3 110.049 168.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -83.26 -4.47 58.46 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.606 1.162 . . . . 71.12 110.808 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 75.27 -1.16 3.12 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 125.816 1.646 . . . . 72.51 114.054 172.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -72.54 132.92 44.44 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.464 0.575 . . . . 72.34 109.68 173.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG22 ' HG3' ' A' ' 7' ' ' GLU . 43.3 t -84.33 138.81 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.648 1.179 . . . . 51.15 110.395 -174.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -130.33 101.46 5.77 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.803 0.841 . . . . 74.25 109.258 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.544 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 29.7 mt-10 -86.48 87.09 7.37 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.029 -0.987 . . . . 74.24 109.391 -175.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.612 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.7 tt -99.29 152.25 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.514 0.725 . . . . 71.32 109.483 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' HB3' ' OE2' ' A' ' 19' ' ' GLU . 34.0 mp0 -60.19 135.35 57.7 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.856 0.863 . . . . 74.05 109.945 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.34 -43.22 95.31 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.262 0.625 . . . . 74.41 111.574 -173.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.419 ' OE2' ' HB3' ' A' ' 17' ' ' GLU . 2.8 pm0 -57.11 -30.01 64.02 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.873 0.869 . . . . 74.45 112.211 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.559 HD13 ' HA ' ' A' ' 59' ' ' ARG . 36.8 mt -77.43 -42.02 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.466 0.706 . . . . 45.0 109.79 176.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.79 -2.39 17.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.992 0.917 . . . . 72.14 112.59 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.2 m -74.09 -23.45 59.33 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.503 0.721 . . . . 71.4 111.979 175.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.2 mtm -69.48 -25.01 63.86 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 120.719 0.295 . . . . 62.33 110.765 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 t -74.54 99.1 3.51 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.633 -1.247 . . . . 72.32 107.633 166.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.1 -35.32 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 123.57 0.544 . . . . 74.13 110.804 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.7 m -60.95 -53.17 60.51 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.369 0.668 . . . . 75.44 111.615 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.6 mt -66.6 -39.44 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 123.287 0.635 . . . . 75.45 109.985 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -57.37 -49.49 76.0 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.062 0.945 . . . . 74.44 110.593 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -64.58 -36.13 83.25 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.484 0.714 . . . . 74.31 111.113 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.97 -42.95 97.11 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.311 0.645 . . . . 72.41 110.92 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.425 HG23 ' H ' ' A' ' 37' ' ' SER . 79.8 mt -67.49 -47.39 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 115.679 -0.692 . . . . 63.12 110.357 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.82 -37.31 81.57 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.25 1.02 . . . . 65.34 111.506 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.47 -45.07 92.69 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.211 1.004 . . . . 62.13 110.904 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -88.97 -11.85 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 114.843 -1.071 . . . . 63.12 110.744 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.15 -76.53 0.45 Allowed Glycine 0 C--N 1.344 1.028 0 N-CA-C 109.92 -1.272 . . . . 14.21 109.92 -173.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -143.19 103.15 4.1 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.47 1.108 . . . . 64.35 108.837 171.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.425 ' H ' HG23 ' A' ' 31' ' ' ILE . 49.2 m -68.2 101.87 1.25 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.892 0.877 . . . . 64.42 111.011 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -83.9 -32.08 25.33 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.647 0.779 . . . . 63.05 110.473 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.5 p -72.57 139.96 81.37 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.421 -0.809 . . . . 70.42 109.776 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.5 142.68 89.49 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.795 2.33 . . . . 70.42 113.124 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.41 105.94 36.26 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 108.616 -0.883 . . . . 62.43 108.616 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.403 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.1 Cg_exo -76.83 126.68 8.96 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.109 2.539 . . . . 74.31 110.969 174.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.7 mt -112.16 94.17 24.88 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 124.112 0.965 . . . . 63.33 110.274 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -83.09 69.57 7.03 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 123.269 2.646 . . . . 74.23 112.527 -177.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -166.75 -66.58 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.329 -0.85 . . . . 64.13 108.819 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.53 124.38 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.485 -0.779 . . . . 70.12 110.596 -176.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.1 p -71.29 167.46 19.41 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.512 0.725 . . . . 73.32 110.727 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.3 p -66.55 -38.68 87.63 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.006 0.522 . . . . 75.24 111.56 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.3 m -63.78 -47.58 80.38 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.623 0.769 . . . . 75.3 110.804 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.588 HG23 HD23 ' A' ' 91' ' ' LEU . 48.4 mm -71.33 -46.05 66.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 115.313 -0.858 . . . . 73.54 110.431 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.7 tp -59.73 -38.07 80.7 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.68 0.792 . . . . 74.23 110.604 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -58.58 -51.02 71.66 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.973 0.796 . . . . 71.45 110.078 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -65.52 -47.72 74.96 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 124.083 0.864 . . . . 44.53 112.056 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.6 t -61.39 -46.7 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.665 0.786 . . . . 73.53 110.54 -176.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.612 ' HB3' HD12 ' A' ' 16' ' ' ILE . 78.0 mt -65.8 -44.39 85.84 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.917 0.487 . . . . 74.11 110.946 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.45 -37.62 84.24 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.151 0.98 . . . . 72.21 111.079 -176.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD1' HD23 ' A' ' 103' ' ' LEU . 57.9 t80 -66.54 -46.36 76.39 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.589 -0.732 . . . . 73.45 109.932 174.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.578 ' SG ' HG21 ' A' ' 100' ' ' ILE . 93.1 m -60.33 -31.93 70.76 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.703 -0.68 . . . . 64.41 111.396 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.559 ' HA ' HD13 ' A' ' 20' ' ' ILE . 37.7 mtp180 -61.27 -44.16 97.69 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.784 -0.45 . . . . 74.2 109.784 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.79 -41.56 91.8 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.628 -0.715 . . . . 72.3 110.996 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -71.53 -20.55 62.03 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.146 0.578 . . . . 74.0 111.405 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.444 ' CG ' HG12 ' A' ' 20' ' ' ILE . 77.3 t60 -78.39 -41.09 34.17 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.989 -0.375 . . . . 72.42 109.989 174.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 12.3 mm100 -70.43 -27.76 64.52 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.715 -0.675 . . . . 73.44 110.317 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -126.79 81.1 69.73 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.036 0.934 . . . . 64.24 108.755 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.88 83.91 1.53 Allowed 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 122.648 2.232 . . . . 71.45 112.053 -175.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.65 -105.7 0.2 Allowed Glycine 0 C--N 1.34 0.772 0 CA-C-N 115.939 -0.573 . . . . 35.4 112.817 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.49 83.72 1.61 Allowed Glycine 0 C--N 1.346 1.137 0 N-CA-C 110.402 -1.079 . . . . 71.22 110.402 -170.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.6 m -84.41 -25.6 28.92 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.103 0.961 . . . . 72.42 112.677 -171.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.32 -52.39 3.77 Favored Glycine 0 C--N 1.342 0.889 0 N-CA-C 111.07 -0.812 . . . . 41.32 111.07 -170.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.2 1.58 24.08 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.097 0.959 . . . . 55.05 112.373 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -84.03 14.55 4.06 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.7 0.8 . . . . 75.14 112.0 -177.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.3 t70 84.31 -30.2 0.08 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.918 1.687 . . . . 74.52 111.647 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.424 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 39.9 mm 63.42 104.86 0.03 OUTLIER Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 124.926 1.29 . . . . 74.32 110.629 -178.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 73' ' ' ILE . 9.6 Cg_endo -52.46 140.73 53.39 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.096 2.531 . . . . 70.22 112.663 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 89.0 Cg_exo -49.85 -35.84 41.1 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 123.688 2.926 . . . . 75.21 114.809 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -58.28 -49.56 76.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.75 0.42 . . . . 71.1 111.37 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.71 -30.97 68.72 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.952 0.901 . . . . 74.2 111.192 -172.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -72.51 -50.18 27.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.192 0.997 . . . . 73.12 110.4 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.458 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 12.4 m-20 -77.64 -14.26 59.68 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.289 1.435 . . . . 71.05 112.481 -176.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.455 ' CE2' HD21 ' A' ' 103' ' ' LEU . 71.3 t80 -52.93 -35.94 59.14 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.31 0.644 . . . . 72.22 110.49 171.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.2 m -68.63 -18.16 64.25 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.776 1.23 . . . . 42.24 112.367 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 34.9 mmtp -74.61 79.99 1.99 Allowed 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.485 0.66 . . . . 74.35 110.253 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -138.84 162.68 28.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 C-N-CA 124.776 1.23 . . . . 61.04 108.751 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -64.28 157.7 25.31 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.719 0.808 . . . . 75.54 110.157 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -54.28 51.93 Favored Pre-proline 0 CA--C 1.571 1.767 0 C-N-CA 123.864 0.866 . . . . 72.02 112.004 -169.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.412 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 57.9 Cg_endo -69.19 -31.63 22.63 Favored 'Trans proline' 0 C--N 1.393 2.869 0 CA-C-N 121.1 1.429 . . . . 54.41 112.379 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.5 m -62.46 -31.07 71.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.449 1.1 . . . . 75.05 111.512 -178.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.55 -41.09 89.19 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.922 0.889 . . . . 63.02 109.688 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -72.45 -29.01 63.29 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.891 -0.595 . . . . 73.4 111.43 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 15.1 mm-40 -61.67 -36.49 81.02 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.662 0.385 . . . . 64.45 110.529 172.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.588 HD23 HG23 ' A' ' 50' ' ' ILE . 97.5 mt -65.36 -37.4 86.91 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.577 0.751 . . . . 71.54 111.153 174.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.3 mt -68.77 -43.91 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 123.301 0.64 . . . . 73.41 110.475 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.24 -38.21 90.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.567 0.747 . . . . 72.31 110.621 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.61 -41.73 68.55 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.638 0.775 . . . . 72.12 111.228 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.14 83.33 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.458 0.703 . . . . 44.13 111.277 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.475 HD21 ' HA ' ' B' ' 105' ' ' ASP . 47.7 t30 -78.62 -37.3 42.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.033 0.833 . . . . 72.52 110.458 177.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.4 -34.73 78.38 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.63 0.772 . . . . 72.54 111.121 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.7 mt -97.36 -13.3 21.96 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.68 0.792 . . . . 70.41 111.264 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 59.3 33.55 22.57 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.473 1.109 . . . . 53.43 111.768 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.578 HG21 ' SG ' ' A' ' 58' ' ' CYS . 31.6 mt -75.31 93.6 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.624 -0.88 . . . . 73.14 108.624 174.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -54.2 -49.96 87.31 Favored Pre-proline 0 CA--C 1.572 1.8 0 C-N-CA 124.345 1.058 . . . . 62.2 111.86 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.9 -50.91 10.13 Favored 'Trans proline' 0 C--N 1.399 3.193 0 C-N-CA 121.629 1.553 . . . . 62.22 113.323 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 57' ' ' TYR . 2.3 tm? -68.13 -39.4 82.72 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.763 0.425 . . . . 73.22 110.263 -176.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.567 HD21 HD21 ' B' ' 104' ' ' LEU . 61.8 tp -57.83 -46.63 84.44 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.769 0.828 . . . . 74.41 110.572 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.512 ' HA ' HD21 ' B' ' 96' ' ' ASN . 19.1 t70 -66.75 -51.69 52.99 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 124.218 0.948 . . . . 74.53 110.381 -174.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.3 t -55.99 -46.87 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 124.01 0.819 . . . . 44.23 111.307 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -70.96 -34.73 71.72 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.412 0.685 . . . . 75.2 111.954 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 91.6 m -72.28 -37.24 69.08 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.971 0.509 . . . . 72.14 110.694 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 105' ' ' ASP . 33.0 mmtp -68.37 -33.34 74.1 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.274 0.63 . . . . 72.32 109.786 177.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.0 m -58.62 -47.78 83.23 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 123.337 0.655 . . . . 74.2 111.11 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.5 t -64.81 -41.82 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 O-C-N 123.399 0.437 . . . . 61.51 110.312 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.84 73.0 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.953 -1.021 . . . . 72.11 111.319 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -81.07 -24.57 37.69 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.299 1.04 . . . . 52.43 111.818 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 47.0 mtm -71.85 -50.28 30.9 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.483 -0.562 . . . . 74.51 109.483 176.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.4 pt -77.48 -30.7 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 115.679 -0.691 . . . . 72.22 110.874 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 55.69 64.31 1.78 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.658 1.183 . . . . 72.31 110.6 -172.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.311 0 CA-C-N 114.395 -1.275 . . . . 61.22 112.653 -178.241 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.53 0.205 . . . . 50.03 110.744 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 91.5 mt -82.36 117.6 22.55 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.134 0.574 . . . . 74.44 110.279 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -84.47 121.63 36.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.975 -0.75 . . . . 73.01 108.975 169.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.554 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 91.0 mttt -85.02 122.3 29.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.969 -1.014 . . . . 75.12 108.714 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.5 mt -119.59 103.99 9.9 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.072 0.549 . . . . 71.22 109.765 -175.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.408 ' HG3' HG22 ' B' ' 13' ' ' VAL . 4.4 mp0 -72.37 142.9 48.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.016 -0.735 . . . . 74.45 109.016 169.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 28.3 p -91.38 -177.37 4.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.287 -0.869 . . . . 65.2 110.128 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 59.4 p -67.19 -23.57 65.77 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.213 0.605 . . . . 70.23 110.252 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -85.75 -4.06 59.06 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.434 1.093 . . . . 52.45 110.864 175.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 75.09 -0.62 3.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.762 1.625 . . . . 74.33 114.133 172.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -73.36 132.77 43.42 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.517 -0.549 . . . . 51.43 109.517 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.408 HG22 ' HG3' ' B' ' 7' ' ' GLU . 43.6 t -83.93 140.11 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.836 1.254 . . . . 75.13 110.25 -175.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -131.28 101.55 5.61 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.714 0.806 . . . . 70.52 109.1 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.554 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 27.3 mt-10 -86.09 86.44 7.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.044 0.937 . . . . 33.42 109.502 -176.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' B' ' 55' ' ' LEU . 12.8 tt -98.37 152.37 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.482 0.713 . . . . 54.13 109.559 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 -60.48 135.71 57.83 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.812 0.845 . . . . 74.23 109.896 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.21 -44.94 90.38 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.257 0.623 . . . . 73.12 111.506 -173.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -55.54 -30.98 61.71 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.175 0.99 . . . . 44.23 111.976 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' B' ' 59' ' ' ARG . 36.9 mt -76.96 -41.92 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 C-N-CA 123.223 0.609 . . . . 74.34 109.893 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.25 -2.83 17.41 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.897 0.879 . . . . 45.24 112.541 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.0 m -72.96 -23.77 60.71 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.295 0.638 . . . . 55.33 112.059 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 70.6 mtm -68.93 -25.44 64.57 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 118.043 0.383 . . . . 54.15 110.826 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.7 t -74.36 99.91 3.63 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.745 -1.206 . . . . 73.51 107.745 166.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.38 -35.45 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.091 0.557 . . . . 73.43 110.814 -175.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.6 m -60.99 -53.15 60.83 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.396 0.679 . . . . 75.14 111.668 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.56 -39.55 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.14 0.576 . . . . 64.01 109.972 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -57.33 -49.64 75.49 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.104 0.962 . . . . 72.15 110.675 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -64.24 -35.54 81.14 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.506 0.723 . . . . 75.12 111.178 -178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 67.0 mtt -64.74 -43.11 94.4 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 123.695 0.622 . . . . 71.23 110.762 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.422 HG23 ' H ' ' B' ' 37' ' ' SER . 79.8 mt -67.79 -46.47 82.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.589 -0.732 . . . . 72.22 110.19 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.29 -38.17 85.84 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.945 0.898 . . . . 75.12 111.354 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.89 -44.89 91.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.443 1.097 . . . . 71.43 110.94 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 60.3 mt -89.49 -9.93 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 124.434 1.094 . . . . 64.22 110.674 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.15 -75.63 0.67 Allowed Glycine 0 C--N 1.344 0.992 0 N-CA-C 110.016 -1.234 . . . . 73.52 110.016 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -143.35 103.02 4.06 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.986 0.914 . . . . 73.4 108.904 171.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.422 ' H ' HG23 ' B' ' 31' ' ' ILE . 43.2 m -68.14 102.03 1.27 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.768 0.827 . . . . 61.1 110.644 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -83.13 -33.43 26.28 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.411 0.684 . . . . 73.32 110.108 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.1 p -71.12 141.05 85.98 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 123.417 0.687 . . . . 74.11 110.01 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.92 140.45 92.08 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.728 2.285 . . . . 33.14 113.271 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.14 105.95 28.07 Favored Pre-proline 0 CA--C 1.554 1.099 0 N-CA-C 108.699 -0.852 . . . . 74.22 108.699 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.24 126.54 8.57 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.956 2.437 . . . . 72.32 110.927 174.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.406 HD13 HD21 ' B' ' 98' ' ' LEU . 79.8 mt -111.95 95.06 27.47 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.18 0.992 . . . . 75.23 110.244 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -83.78 70.93 6.04 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 123.195 2.596 . . . . 61.32 112.256 -177.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -167.89 -66.43 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.364 -0.834 . . . . 62.53 109.061 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.09 124.68 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 115.205 -0.907 . . . . 45.24 110.59 -176.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 78.0 p -71.87 167.68 19.5 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.526 0.731 . . . . 72.5 110.688 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.7 p -67.65 -37.7 82.79 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.829 0.452 . . . . 75.14 111.313 -176.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 19.3 m -62.58 -48.83 77.73 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.922 0.763 . . . . 75.05 110.662 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.623 HG23 HD23 ' B' ' 91' ' ' LEU . 48.2 mm -71.7 -45.39 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 115.275 -0.875 . . . . 54.21 110.414 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 37.8 tp -60.37 -37.89 82.18 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.673 0.789 . . . . 72.21 110.613 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.7 -50.9 72.2 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 123.985 0.803 . . . . 74.03 110.049 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -65.43 -47.92 74.55 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 124.317 1.01 . . . . 72.3 111.82 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.72 -46.82 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.72 0.808 . . . . 72.43 110.498 -175.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.611 ' HB3' HD12 ' B' ' 16' ' ' ILE . 80.9 mt -65.48 -44.27 87.64 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.469 0.481 . . . . 72.43 111.067 177.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.06 -36.65 82.28 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.125 0.97 . . . . 70.52 111.029 -175.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' TYR . . . . . 0.456 ' CD1' HD23 ' B' ' 103' ' ' LEU . 57.6 t80 -67.41 -46.12 74.15 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.528 -0.76 . . . . 74.52 109.907 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.564 ' SG ' HG21 ' B' ' 100' ' ' ILE . 97.6 m -60.65 -32.0 71.19 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.659 -0.7 . . . . 64.11 111.466 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.576 ' HA ' HD13 ' B' ' 20' ' ' ILE . 36.6 mtp-105 -61.65 -43.44 98.84 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.823 -0.436 . . . . 72.22 109.823 176.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -66.14 -41.56 90.29 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.758 -0.655 . . . . 73.01 111.004 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -71.48 -19.58 62.19 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.187 0.595 . . . . 61.44 111.474 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' HIS . . . . . 0.438 ' CG ' HG12 ' B' ' 20' ' ' ILE . 79.8 t60 -79.11 -40.93 29.84 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 110.099 -0.334 . . . . 72.41 110.099 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 12.2 mm100 -71.08 -26.36 63.02 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.835 -0.62 . . . . 70.4 110.735 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -128.11 81.11 71.08 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 124.088 0.955 . . . . 73.11 108.576 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.09 83.42 1.64 Allowed 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.857 2.371 . . . . 31.04 112.006 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.8 -108.18 0.23 Allowed Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.822 -0.626 . . . . 55.53 112.46 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.4 81.65 1.59 Allowed Glycine 0 C--N 1.346 1.102 0 N-CA-C 110.171 -1.172 . . . . 51.0 110.171 -170.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.6 m -84.41 -24.3 29.66 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.955 0.902 . . . . 63.02 112.316 -171.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.56 -52.12 3.96 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 111.337 -0.705 . . . . 62.32 111.337 -171.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 3.2 pp -78.82 1.0 24.8 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.295 1.038 . . . . 72.15 112.679 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -82.93 12.93 4.32 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.451 0.701 . . . . 74.02 112.319 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 85.87 -31.54 0.05 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 126.251 1.82 . . . . 54.21 111.756 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.452 ' HA ' ' HD2' ' B' ' 74' ' ' PRO . 41.1 mm 64.39 104.61 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.312 0 C-N-CA 124.68 1.192 . . . . 62.43 110.839 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' B' ' 73' ' ' ILE . 9.9 Cg_endo -52.33 140.02 53.51 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.191 2.594 . . . . 75.11 112.786 176.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 74' ' ' PRO . 87.7 Cg_exo -49.68 -35.99 39.93 Favored 'Trans proline' 0 C--N 1.386 2.526 0 C-N-CA 123.76 2.973 . . . . 72.32 114.79 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.4 -49.36 77.53 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.684 0.394 . . . . 55.44 111.441 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.65 -31.31 69.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.916 0.886 . . . . 71.24 111.095 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -71.96 -50.1 31.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.315 1.046 . . . . 73.14 110.477 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.494 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 14.8 m-20 -77.57 -14.07 59.75 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.076 1.35 . . . . 73.52 112.527 -176.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.458 ' CE2' HD21 ' B' ' 103' ' ' LEU . 71.3 t80 -53.27 -35.42 60.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.1 0.56 . . . . 53.31 110.669 171.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 53.0 m -69.06 -16.98 63.82 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.793 1.237 . . . . 30.31 112.607 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.494 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 34.6 mmtp -75.49 78.27 2.53 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.333 0.653 . . . . 72.03 110.404 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -136.49 163.38 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.594 1.158 . . . . 74.14 108.867 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.86 157.28 25.05 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.63 0.772 . . . . 63.24 110.073 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -54.72 46.75 Favored Pre-proline 0 CA--C 1.572 1.805 0 C-N-CA 123.943 0.897 . . . . 73.05 111.876 -169.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.46 -30.65 23.34 Favored 'Trans proline' 0 C--N 1.391 2.776 0 CA-C-N 121.066 1.416 . . . . 62.42 112.426 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.2 m -63.14 -30.97 72.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.113 0.965 . . . . 61.42 111.451 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.16 -41.08 90.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.856 0.862 . . . . 75.15 109.596 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -72.2 -29.06 63.61 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.863 -0.608 . . . . 61.31 111.592 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -61.78 -36.52 81.32 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.623 0.369 . . . . 75.21 110.426 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.623 HD23 HG23 ' B' ' 50' ' ' ILE . 97.2 mt -65.72 -37.11 85.53 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.597 0.759 . . . . 74.14 110.937 175.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 58.4 mt -68.88 -44.04 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 123.427 0.691 . . . . 74.3 110.482 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.13 -38.31 90.62 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.534 0.733 . . . . 71.34 110.576 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.34 -41.54 69.66 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.98 0.8 . . . . 42.04 111.245 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.86 82.52 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.617 -0.72 . . . . 74.42 111.283 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ASN . . . . . 0.512 HD21 ' HA ' ' A' ' 105' ' ' ASP . 45.7 t30 -79.33 -36.83 38.88 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.726 0.81 . . . . 64.21 110.643 178.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -63.06 -36.48 83.71 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.641 0.776 . . . . 64.14 110.838 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.406 HD21 HD13 ' B' ' 43' ' ' LEU . 98.4 mt -96.09 -13.03 23.97 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.756 0.823 . . . . 73.33 111.279 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 59.12 33.44 22.83 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.384 1.074 . . . . 61.23 111.944 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.564 HG21 ' SG ' ' B' ' 58' ' ' CYS . 31.8 mt -75.3 93.76 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.664 -0.865 . . . . 63.52 108.664 174.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -54.24 -49.99 87.2 Favored Pre-proline 0 CA--C 1.57 1.72 0 C-N-CA 124.356 1.063 . . . . 63.32 111.928 -176.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.13 -50.61 10.76 Favored 'Trans proline' 0 C--N 1.397 3.121 0 C-N-CA 121.754 1.636 . . . . 72.13 113.268 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.458 HD21 ' CE2' ' B' ' 80' ' ' PHE . 2.4 tm? -68.27 -39.48 82.16 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.805 0.442 . . . . 72.4 110.126 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.567 HD21 HD21 ' A' ' 104' ' ' LEU . 61.0 tp -57.97 -46.63 84.86 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.626 0.77 . . . . 73.32 110.619 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.475 ' HA ' HD21 ' A' ' 96' ' ' ASN . 19.7 t70 -66.07 -51.81 54.71 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 124.261 0.976 . . . . 73.35 110.582 -175.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 77.9 t -56.32 -46.96 81.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 O-C-N 124.025 0.828 . . . . 40.55 111.128 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.2 m -70.78 -34.47 71.82 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.395 0.678 . . . . 50.34 111.898 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 90.8 m -72.43 -37.53 68.56 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.011 0.524 . . . . 63.43 110.725 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' B' ' 105' ' ' ASP . 32.8 mmtp -68.35 -32.98 73.47 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.175 0.59 . . . . 73.44 109.686 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 92.6 m -58.8 -47.71 83.8 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 123.324 0.65 . . . . 73.42 111.085 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t -65.1 -42.07 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 123.426 0.454 . . . . 74.2 110.092 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.16 -34.57 73.76 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.73 -1.123 . . . . 61.04 111.143 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -80.75 -24.48 38.65 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.211 1.004 . . . . 74.11 111.76 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 49.9 mtm -71.01 -51.27 26.37 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 109.27 -0.641 . . . . 72.5 109.27 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 40.8 pt -76.34 -30.94 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.489 -0.778 . . . . 63.32 110.736 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 54.28 67.17 1.05 Allowed 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.692 1.197 . . . . 75.54 110.484 -171.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 CA-C-N 114.632 -1.167 . . . . 75.04 112.498 -179.547 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 m . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.87 0.367 . . . . 71.22 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.4 115.87 13.28 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.599 -0.728 . . . . 72.22 109.962 171.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.5 m -80.01 125.89 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.46 -0.571 . . . . 75.42 109.46 175.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.605 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 89.5 mttt -93.82 110.85 22.48 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.672 -0.862 . . . . 73.52 108.672 -175.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.4 mt -111.09 101.03 9.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.703 0.801 . . . . 63.22 109.25 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -81.72 128.91 34.47 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.516 -0.549 . . . . 75.31 109.516 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.5 p -71.11 -179.49 2.37 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.284 0.634 . . . . 54.01 111.103 172.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.2 p -68.67 -18.44 64.27 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.95 0.5 . . . . 72.43 110.468 169.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 29.4 t70 -91.69 9.86 30.68 Favored 'General case' 0 CA--C 1.564 1.492 0 C-N-CA 124.276 1.03 . . . . 73.24 110.591 173.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 68.98 8.9 7.12 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 125.447 1.499 . . . . 64.31 113.872 168.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -76.1 122.64 24.57 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.792 0.437 . . . . 62.45 110.166 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG13 ' HB3' ' A' ' 5' ' ' LYS . 61.2 t -78.97 102.14 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.627 1.171 . . . . 74.31 110.024 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -93.21 88.79 6.17 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.094 0.557 . . . . 61.34 109.908 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.56 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 31.1 mt-10 -73.24 111.94 8.83 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.085 -0.961 . . . . 71.34 108.54 173.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.2 tt -139.98 155.8 24.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.238 0.615 . . . . 72.24 109.475 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.83 133.28 55.28 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.483 0.713 . . . . 74.53 110.151 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.53 -31.57 69.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.06 0.944 . . . . 70.44 111.918 -176.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -56.0 -35.99 67.42 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.144 0.978 . . . . 75.25 112.129 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.46 HD13 ' HB2' ' A' ' 59' ' ' ARG . 37.8 mt -80.37 -34.82 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.0 0.92 . . . . 74.04 110.052 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.6 68.39 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.525 -0.762 . . . . 72.13 111.334 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.403 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 84.4 m -75.1 -27.27 59.8 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.782 0.833 . . . . 53.4 111.48 174.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.49 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 86.1 mtp -65.27 -37.51 87.43 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.235 0.541 . . . . 64.22 110.109 173.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.615 ' HA ' HG12 ' A' ' 100' ' ' ILE . 43.1 t -70.48 115.99 10.29 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.809 -1.087 . . . . 55.35 108.391 170.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 86.2 t -60.47 -52.05 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.46 0.704 . . . . 64.22 111.381 -174.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.0 m -64.58 -44.21 91.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.215 0.606 . . . . 74.25 112.086 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.452 HG13 HD22 ' A' ' 98' ' ' LEU . 70.5 mt -65.04 -42.39 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 109.884 -0.413 . . . . 70.22 109.884 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 20.2 ttpp -56.26 -45.09 80.2 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.961 0.904 . . . . 71.04 110.539 174.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.18 -34.49 77.75 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.772 0.67 . . . . 35.25 110.649 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.9 mtm -72.45 -34.33 67.68 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.827 0.451 . . . . 60.52 111.08 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 27' ' ' ILE . 78.6 mt -68.67 -38.12 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 N-CA-C 109.233 -0.655 . . . . 62.11 109.233 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.76 -26.44 59.77 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.495 0.718 . . . . 74.42 111.254 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.44 -46.07 20.66 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.638 0.775 . . . . 73.44 111.118 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -89.08 -39.76 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 115.552 -0.749 . . . . 75.31 110.063 -174.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.07 -151.77 18.18 Favored Glycine 0 C--N 1.342 0.876 0 N-CA-C 110.619 -0.993 . . . . 44.12 110.619 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -80.26 74.11 7.1 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 121.48 0.657 . . . . 34.5 109.536 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -75.4 109.14 8.7 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.254 -0.885 . . . . 71.12 110.647 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.19 -28.26 63.09 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.348 0.659 . . . . 72.33 109.565 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 m -60.61 136.61 92.57 Favored Pre-proline 0 CA--C 1.547 0.854 0 CA-C-N 115.172 -0.922 . . . . 62.52 110.7 172.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.605 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.6 Cg_endo -68.78 143.19 54.84 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.716 2.278 . . . . 71.14 111.772 177.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.4 mm -104.23 102.05 30.32 Favored Pre-proline 0 CA--C 1.551 1.007 0 N-CA-C 109.469 -0.567 . . . . 73.12 109.469 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.98 136.42 10.41 Favored 'Trans proline' 0 C--N 1.372 1.77 0 C-N-CA 122.486 2.124 . . . . 71.31 111.985 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.2 mt -103.41 95.34 6.94 Favored Pre-proline 0 CA--C 1.557 1.213 0 C-N-CA 124.556 1.142 . . . . 75.1 108.248 172.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -82.78 42.3 1.27 Allowed 'Trans proline' 0 C--N 1.378 2.113 0 C-N-CA 123.636 2.891 . . . . 71.54 113.974 -170.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -142.73 -57.61 0.43 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.211 0.604 . . . . 72.24 109.89 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.39 127.62 34.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 115.883 -0.599 . . . . 71.12 110.105 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.7 p -75.05 171.07 14.77 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.531 0.732 . . . . 41.23 111.494 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 34.1 p -63.06 -48.02 80.48 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.767 0.827 . . . . 71.14 112.181 -175.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 62.7 p -57.15 -46.2 82.95 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 124.237 0.961 . . . . 73.25 110.881 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.589 HG23 HD23 ' A' ' 91' ' ' LEU . 46.8 mm -74.99 -46.69 39.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.756 -0.656 . . . . 73.11 110.924 -174.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.38 -36.82 84.99 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.107 0.563 . . . . 73.01 110.844 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.99 -49.88 76.19 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.26 0.624 . . . . 75.13 109.822 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 49' ' ' THR . 27.9 mtpp -64.29 -46.92 81.5 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.56 1.163 . . . . 65.2 111.781 -176.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.541 HG13 ' HG ' ' A' ' 103' ' ' LEU . 70.2 t -60.77 -44.94 98.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 123.608 0.763 . . . . 64.44 110.089 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.5 mt -70.07 -32.12 70.05 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.304 0.641 . . . . 75.23 111.516 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.57 -32.33 60.34 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.475 0.71 . . . . 70.25 111.213 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -75.1 -40.02 60.26 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.825 -0.435 . . . . 74.51 109.825 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.52 ' SG ' HD13 ' A' ' 100' ' ' ILE . 84.2 m -64.41 -37.61 88.13 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.007 -0.542 . . . . 74.33 110.404 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.46 ' HB2' HD13 ' A' ' 20' ' ' ILE . 6.5 ptm180 -72.41 -34.39 67.84 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.814 0.446 . . . . 55.03 110.124 178.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -58.85 -47.16 85.85 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.147 0.979 . . . . 65.42 110.52 171.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -78.49 -15.37 58.69 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.967 -1.015 . . . . 63.43 110.409 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.49 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 71.8 t60 -82.28 -38.83 23.82 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.662 0.385 . . . . 61.21 110.478 176.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 19.6 mm100 -73.91 -30.94 62.86 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.688 -0.687 . . . . 72.14 110.416 178.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -124.81 81.52 61.49 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 108.129 -1.063 . . . . 72.41 108.129 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -68.34 -62.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.383 2.388 0 C-N-CA 122.735 2.29 . . . . 75.13 111.505 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.46 -85.71 0.04 OUTLIER Glycine 0 C--N 1.357 1.699 0 O-C-N 124.125 0.891 . . . . 54.23 113.162 -177.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.57 -98.5 0.65 Allowed Glycine 0 C--N 1.343 0.935 0 N-CA-C 110.887 -0.885 . . . . 62.12 110.887 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.0 p -82.54 78.01 9.23 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 121.652 0.739 . . . . 70.32 109.87 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.73 47.2 0.74 Allowed Glycine 0 C--N 1.342 0.916 0 CA-C-N 115.215 -0.902 . . . . 64.25 111.957 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.0 mt -70.38 -20.07 62.98 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.354 0.661 . . . . 73.54 111.032 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -72.16 -23.39 61.28 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.605 1.162 . . . . 72.21 111.081 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -109.77 95.25 5.48 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 108.784 -0.821 . . . . 72.51 108.784 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.9 mm -104.46 112.03 65.31 Favored Pre-proline 0 N--CA 1.477 0.877 0 N-CA-C 109.404 -0.591 . . . . 65.12 109.404 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -61.56 142.48 94.95 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.201 1.934 . . . . 72.4 111.319 170.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.0 -32.47 58.17 Favored 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 123.4 2.733 . . . . 65.43 113.191 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -52.4 -41.25 63.01 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.943 0.897 . . . . 61.54 112.041 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -36.67 84.65 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.978 0.911 . . . . 73.32 110.525 -176.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -76.37 -34.96 58.91 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.557 -0.747 . . . . 75.32 110.544 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -70.67 -27.15 63.81 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.24 -0.436 . . . . 61.41 110.802 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -65.12 -39.47 93.13 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.354 1.061 . . . . 60.52 109.958 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 66.1 m -69.91 -20.82 63.34 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.377 -1.283 . . . . 75.22 112.06 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -76.06 82.88 2.91 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.19 0.596 . . . . 73.22 109.473 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.59 167.15 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.754 1.222 . . . . 60.11 109.105 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -70.74 157.84 37.33 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 109.197 -0.668 . . . . 73.51 109.197 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -57.27 -50.68 86.79 Favored Pre-proline 0 CA--C 1.566 1.576 0 N-CA-C 113.144 0.794 . . . . 60.3 113.144 -171.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.48 -37.07 31.51 Favored 'Trans proline' 0 C--N 1.388 2.639 0 C-N-CA 121.503 1.468 . . . . 72.53 112.421 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 28.6 m -60.21 -32.76 71.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.4 1.08 . . . . 62.14 111.599 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.48 -48.75 74.02 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.089 0.955 . . . . 71.23 109.402 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -66.83 -29.85 69.88 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.605 -0.725 . . . . 71.13 111.274 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' HB3' HG13 ' A' ' 50' ' ' ILE . 19.3 mm-40 -63.39 -38.51 91.41 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.147 0.579 . . . . 73.41 111.254 173.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.589 HD23 HG23 ' A' ' 50' ' ' ILE . 96.1 mt -64.94 -37.36 87.4 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.242 0.617 . . . . 74.14 110.621 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.3 mt -65.79 -45.07 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.553 0.741 . . . . 65.12 110.221 176.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.85 -39.45 90.79 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.879 0.871 . . . . 63.01 111.173 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.85 -34.74 66.97 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.534 0.734 . . . . 73.33 110.956 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.613 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -73.67 -28.83 61.96 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.53 0.732 . . . . 71.54 111.831 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -78.95 -38.9 35.97 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.432 0.693 . . . . 60.13 109.997 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -63.65 -41.3 98.23 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.007 0.923 . . . . 71.1 111.088 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.452 HD22 HG13 ' A' ' 27' ' ' ILE . 83.3 mt -94.26 -9.22 36.81 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.609 0.763 . . . . 73.01 111.204 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.511 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 25.0 t0 57.21 33.8 23.86 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.555 1.542 . . . . 53.04 112.03 176.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.615 HG12 ' HA ' ' A' ' 24' ' ' SER . 47.6 mt -81.68 105.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.526 -0.761 . . . . 73.3 109.186 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -61.12 -49.85 86.78 Favored Pre-proline 0 CA--C 1.566 1.573 0 CA-C-O 117.901 -1.047 . . . . 54.13 112.537 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -57.35 -39.15 91.77 Favored 'Trans proline' 0 C--N 1.408 3.673 0 C-N-CA 121.953 1.769 . . . . 73.23 113.485 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.613 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -68.87 -52.42 29.91 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.04 -0.726 . . . . 72.32 109.04 -179.56 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.564 HD21 HD21 ' B' ' 104' ' ' LEU . 41.9 tp -61.21 -43.94 98.08 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.632 -1.167 . . . . 61.51 111.306 -173.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.43 -49.43 66.77 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.98 0.8 . . . . 70.23 110.692 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.2 t -58.01 -44.26 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.43 0.692 . . . . 74.5 111.202 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.5 m -74.08 -31.02 62.65 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.483 0.713 . . . . 74.11 111.958 -177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 88.8 m -75.85 -29.7 58.66 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.945 0.498 . . . . 65.14 110.491 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -28.7 60.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.362 0.665 . . . . 74.35 110.177 175.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -56.88 -53.62 55.84 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.384 0.673 . . . . 72.21 111.101 174.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.4 m -66.68 -35.47 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 116.441 -0.345 . . . . 63.12 110.797 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.452 ' HB2' HD11 ' B' ' 93' ' ' LEU . . . -61.85 -36.19 80.49 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 124.056 0.847 . . . . 43.51 111.641 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -72.61 -43.0 63.87 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.298 0.639 . . . . 74.01 110.749 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 63.3 mtm -64.12 -38.44 91.05 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.313 0.645 . . . . 74.43 111.848 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' B' ' 86' ' ' PRO . 24.8 pt -83.06 -28.93 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 122.982 0.513 . . . . 72.05 111.217 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -80.27 97.06 6.81 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.779 -0.822 . . . . 73.23 108.779 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.699 0 CA-C-N 115.325 -0.852 . . . . 64.3 113.442 173.229 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 120.7 0.286 . . . . 73.12 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.91 116.6 12.5 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.779 -0.646 . . . . 52.12 109.707 171.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.58 125.31 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.477 0.656 . . . . 74.34 109.44 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.618 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 89.7 mttt -93.57 111.47 23.15 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.637 -0.875 . . . . 71.41 108.637 -175.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.2 mt -111.48 100.34 8.93 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.522 0.729 . . . . 73.01 109.298 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -80.57 128.18 33.3 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.613 -0.514 . . . . 63.04 109.613 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.9 p -70.57 179.64 2.47 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.064 0.545 . . . . 70.03 111.123 172.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.5 p -67.12 -20.29 65.75 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.033 0.533 . . . . 51.15 110.416 169.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 26.9 t70 -90.34 8.91 31.07 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 124.336 1.054 . . . . 73.22 110.714 174.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 69.23 11.04 8.09 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 125.372 1.469 . . . . 74.4 113.698 168.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -77.58 123.17 26.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.785 0.434 . . . . 71.52 110.111 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.428 HG13 ' HB3' ' B' ' 5' ' ' LYS . 59.7 t -79.91 101.62 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.263 1.025 . . . . 75.5 109.935 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -92.56 88.74 6.44 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.184 0.516 . . . . 74.31 109.842 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.557 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 32.2 mt-10 -72.76 112.38 8.76 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.211 -1.033 . . . . 71.12 108.211 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.0 tt -140.38 156.37 23.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 109.511 -0.551 . . . . 63.42 109.511 -176.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.96 133.86 55.92 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.293 0.637 . . . . 62.32 110.19 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -60.58 -31.25 70.4 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.266 1.026 . . . . 50.43 111.648 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -56.8 -36.09 69.51 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.006 0.923 . . . . 71.14 112.005 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.438 HD13 ' HB2' ' B' ' 59' ' ' ARG . 37.1 mt -79.54 -35.14 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.771 0.828 . . . . 74.45 110.077 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.56 -26.82 68.58 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.604 -0.725 . . . . 73.13 111.334 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 76.7 m -74.63 -28.97 61.11 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.665 0.786 . . . . 54.44 111.383 174.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 85.6 mtp -63.72 -37.07 85.98 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.093 0.473 . . . . 70.04 110.271 174.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.595 ' HA ' HG12 ' B' ' 100' ' ' ILE . 42.5 t -70.53 116.69 11.15 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.996 -1.002 . . . . 74.35 108.484 170.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 89.1 t -61.05 -52.32 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.39 0.676 . . . . 74.24 111.206 -174.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 84.9 m -64.23 -44.57 91.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.352 0.661 . . . . 55.35 112.241 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.471 HG13 HD22 ' B' ' 98' ' ' LEU . 70.7 mt -64.84 -42.2 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 109.894 -0.41 . . . . 61.34 109.894 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' B' ' 22' ' ' CYS . 20.4 ttpp -56.15 -45.19 79.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.923 0.889 . . . . 75.54 110.475 174.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.29 -34.37 77.54 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.916 0.76 . . . . 64.02 110.752 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 73.6 mtm -72.8 -34.38 66.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.041 0.536 . . . . 71.21 110.988 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 27' ' ' ILE . 77.9 mt -68.59 -37.1 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.319 0.648 . . . . 75.43 109.474 174.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -76.16 -26.27 56.08 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.557 0.743 . . . . 54.33 111.428 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -78.68 -46.35 19.31 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.758 0.823 . . . . 73.3 111.101 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 67.3 mt -87.96 -41.36 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.272 -0.877 . . . . 72.45 109.935 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.96 -151.17 18.34 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 110.761 -0.936 . . . . 64.53 110.761 -174.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -80.91 74.31 7.89 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.536 0.684 . . . . 74.43 109.382 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 28.6 p -75.94 109.86 9.92 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.009 -0.996 . . . . 53.34 110.009 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.93 -30.55 65.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.974 -0.75 . . . . 70.32 108.974 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 37.6 m -60.62 135.95 92.35 Favored Pre-proline 0 CA--C 1.544 0.712 0 O-C-N 124.389 1.056 . . . . 74.11 110.585 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.618 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 58.7 Cg_endo -67.75 143.75 62.84 Favored 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 122.853 2.369 . . . . 74.21 111.522 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mm -104.66 101.81 30.71 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 109.612 -0.514 . . . . 72.04 109.612 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.54 136.83 11.22 Favored 'Trans proline' 0 C--N 1.374 1.874 0 C-N-CA 122.326 2.018 . . . . 64.45 112.068 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 63.6 mt -104.07 94.46 6.66 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 124.498 1.119 . . . . 74.11 108.231 172.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -82.06 42.34 1.3 Allowed 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 123.463 2.775 . . . . 62.41 114.16 -171.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -142.54 -56.84 0.44 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.328 0.651 . . . . 75.33 109.878 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.61 126.91 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-N 115.982 -0.554 . . . . 73.14 110.062 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.9 p -74.45 169.9 16.77 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.805 0.842 . . . . 60.4 111.279 -176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 31.0 p -63.02 -47.79 81.57 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.756 0.823 . . . . 55.51 112.216 -174.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 66.1 p -57.2 -45.33 83.87 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 124.159 0.912 . . . . 72.4 111.145 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.575 HG23 HD23 ' B' ' 91' ' ' LEU . 47.3 mm -75.43 -46.47 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.579 -0.737 . . . . 73.24 110.797 -174.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.35 -36.86 85.1 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.625 0.578 . . . . 62.31 110.746 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.73 -49.81 76.25 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.325 0.65 . . . . 60.34 109.858 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' B' ' 49' ' ' THR . 28.1 mtpp -64.62 -46.47 82.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.934 -1.03 . . . . 62.53 111.979 -176.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.536 HG13 ' HG ' ' B' ' 103' ' ' LEU . 69.7 t -61.13 -45.28 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.63 0.772 . . . . 62.4 110.012 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 76.1 mt -69.61 -31.88 70.27 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.775 -0.648 . . . . 73.43 111.529 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -75.61 -32.66 60.37 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.479 0.712 . . . . 75.04 111.375 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -75.14 -39.77 60.22 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.898 -0.408 . . . . 71.33 109.898 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.507 ' SG ' HD13 ' B' ' 100' ' ' ILE . 84.7 m -64.65 -37.48 87.74 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.975 -0.557 . . . . 73.31 110.541 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.438 ' HB2' HD13 ' B' ' 20' ' ' ILE . 6.5 ptm180 -72.5 -34.39 67.62 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.803 0.441 . . . . 70.05 110.278 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -58.79 -47.86 83.28 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.266 1.027 . . . . 61.44 110.433 171.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -77.74 -15.63 58.99 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.238 -0.892 . . . . 64.11 110.48 -177.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' HIS . . . . . 0.478 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 70.7 t60 -82.22 -39.25 23.35 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.614 0.366 . . . . 64.31 110.496 176.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 17.2 mm100 -73.3 -31.24 63.92 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.782 -0.645 . . . . 73.13 110.395 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -124.46 81.6 59.3 Favored Pre-proline 0 C--O 1.244 0.783 0 N-CA-C 108.22 -1.03 . . . . 62.54 108.22 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.18 -61.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 122.691 2.261 . . . . 74.0 111.563 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.94 -85.81 0.05 OUTLIER Glycine 0 C--N 1.356 1.672 0 O-C-N 124.128 0.893 . . . . 74.42 112.698 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 122.57 -98.48 0.62 Allowed Glycine 0 C--N 1.343 0.94 0 N-CA-C 110.659 -0.976 . . . . 71.11 110.659 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 45.2 p -83.38 76.84 9.88 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.43 0.692 . . . . 72.43 109.884 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.32 45.81 0.88 Allowed Glycine 0 C--N 1.347 1.191 0 CA-C-N 115.398 -0.819 . . . . 71.11 112.189 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.92 -21.72 63.27 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.485 0.714 . . . . 72.01 111.114 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.85 -24.87 63.51 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.656 1.182 . . . . 72.41 111.182 174.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -108.76 95.96 6.0 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.644 0.778 . . . . 73.45 109.539 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.7 mm -104.09 113.26 65.44 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 109.043 -0.725 . . . . 70.12 109.043 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.95 141.85 90.86 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.322 2.015 . . . . 51.1 111.313 169.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.41 -32.03 50.43 Favored 'Trans proline' 0 C--N 1.382 2.332 0 C-N-CA 123.259 2.639 . . . . 74.4 113.409 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -52.58 -41.65 63.8 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.715 0.806 . . . . 62.45 112.092 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.6 -37.22 85.38 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.027 0.931 . . . . 54.31 110.692 -177.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -76.27 -35.29 58.98 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.287 -0.87 . . . . 71.34 110.912 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.09 -26.39 63.02 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.808 -0.633 . . . . 74.3 110.785 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -65.28 -39.65 92.84 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.244 1.018 . . . . 75.11 109.942 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.0 m -70.53 -18.98 62.93 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 114.286 -1.325 . . . . 73.4 112.261 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -77.28 82.22 3.76 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.33 0.652 . . . . 72.43 109.693 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 m -135.87 166.96 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.717 1.207 . . . . 44.54 109.093 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -70.38 157.69 37.33 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 109.284 -0.635 . . . . 62.3 109.284 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -57.09 -50.49 87.93 Favored Pre-proline 0 CA--C 1.566 1.592 0 C-N-CA 123.782 0.833 . . . . 44.25 113.036 -171.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.571 ' HA ' HD12 ' A' ' 115' ' ' ILE . 40.4 Cg_endo -65.49 -36.75 32.88 Favored 'Trans proline' 0 C--N 1.388 2.65 0 C-N-CA 121.48 1.453 . . . . 65.11 112.872 173.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 28.3 m -61.01 -31.86 71.46 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.39 1.076 . . . . 72.11 111.715 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.89 -49.05 72.0 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.024 0.93 . . . . 73.42 109.417 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.414 ' CD2' HD13 ' A' ' 115' ' ' ILE . 52.1 m-85 -67.22 -29.65 69.36 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.591 -0.732 . . . . 72.34 111.343 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.8 -38.61 91.36 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.274 0.63 . . . . 74.24 111.288 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.575 HD23 HG23 ' B' ' 50' ' ' ILE . 96.0 mt -65.06 -37.19 86.75 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.144 0.578 . . . . 72.43 110.637 175.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.4 HD12 ' HD1' ' B' ' 89' ' ' PHE . 62.7 mt -65.79 -45.0 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.583 0.753 . . . . 73.13 110.156 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 112' ' ' ALA . 96.1 mt -65.22 -40.63 94.38 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.926 0.89 . . . . 65.4 111.275 -178.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.19 -34.76 68.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.519 0.728 . . . . 75.53 110.982 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.599 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -73.71 -28.4 61.71 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.478 0.711 . . . . 74.13 111.664 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -79.14 -39.89 32.38 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.493 0.717 . . . . 72.32 109.933 174.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -63.11 -40.92 99.04 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.982 0.913 . . . . 73.22 111.106 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.471 HD22 HG13 ' B' ' 27' ' ' ILE . 83.3 mt -94.6 -8.46 38.03 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.614 0.765 . . . . 63.25 111.195 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.519 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 25.2 t0 56.34 34.24 23.77 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.478 1.511 . . . . 73.13 111.958 177.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.595 HG12 ' HA ' ' B' ' 24' ' ' SER . 46.6 mt -82.0 105.98 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 115.462 -0.79 . . . . 73.34 109.21 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -62.43 -48.99 85.72 Favored Pre-proline 0 CA--C 1.563 1.455 0 CA-C-O 117.88 -1.057 . . . . 72.12 112.446 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.15 -38.57 95.11 Favored 'Trans proline' 0 C--N 1.404 3.467 0 C-N-CA 121.894 1.73 . . . . 52.15 113.528 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.599 HD12 ' HB2' ' B' ' 95' ' ' ALA . 0.7 OUTLIER -69.73 -52.4 25.78 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.105 -0.702 . . . . 72.5 109.105 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.564 HD21 HD21 ' A' ' 104' ' ' LEU . 42.3 tp -61.24 -44.68 96.87 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.644 -1.162 . . . . 74.41 111.327 -173.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.05 -48.76 69.98 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.177 0.923 . . . . 62.2 110.433 -175.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.56 -44.55 89.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.407 0.683 . . . . 73.34 111.245 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -73.62 -30.85 63.22 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.542 0.737 . . . . 74.23 111.89 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.5 m -76.06 -29.37 57.98 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.121 0.568 . . . . 64.34 110.707 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.61 -28.57 58.91 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.403 0.681 . . . . 63.12 110.368 175.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 89.3 m -56.99 -53.86 53.21 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.387 0.675 . . . . 74.01 111.035 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.6 m -66.67 -35.49 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 O-C-N 123.178 0.299 . . . . 73.43 110.761 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.02 -35.6 79.03 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.9 0.75 . . . . 45.52 111.527 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -72.56 -43.79 62.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.194 0.598 . . . . 63.34 110.639 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 62.9 mtm -63.14 -38.94 93.15 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.089 0.556 . . . . 74.42 111.654 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 24.4 pt -82.67 -28.79 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 116.095 -0.502 . . . . 61.05 111.278 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -80.62 96.92 7.0 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.414 -0.587 . . . . 75.44 109.414 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.555 0 CA-C-O 119.182 -0.788 . . . . 75.12 113.533 174.207 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 110.732 -0.099 . . . . 72.4 110.732 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -93.3 118.3 31.11 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.34 0.656 . . . . 61.22 110.836 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.15 131.1 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.738 -0.838 . . . . 74.4 108.738 167.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.549 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 51.1 mttm -83.2 120.07 25.35 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.534 -0.913 . . . . 72.21 108.534 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.9 mt -120.79 102.81 8.62 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.126 0.571 . . . . 72.43 109.632 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -80.86 154.41 27.11 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.427 0.632 . . . . 64.31 110.272 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.3 p -91.98 -174.6 3.84 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-N 114.948 -1.024 . . . . 65.2 111.024 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 p -62.5 -32.9 73.89 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 115.487 -0.779 . . . . 75.11 109.906 166.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.14 -2.44 31.07 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.41 1.084 . . . . 72.41 111.952 173.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 66.55 12.48 8.76 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 125.199 1.4 . . . . 53.43 113.124 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -74.07 128.54 35.79 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.649 -0.5 . . . . 72.14 109.649 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.5 t -75.84 116.6 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.195 0.998 . . . . 72.44 110.678 -174.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -115.07 88.12 2.8 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.833 -0.803 . . . . 75.4 108.833 174.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.549 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 97.9 mt-10 -66.66 127.71 33.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.089 -0.96 . . . . 74.55 109.135 172.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.6 HD12 ' HB3' ' A' ' 55' ' ' LEU . 9.2 tt -142.48 148.17 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.348 -0.982 . . . . 70.54 108.348 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.71 132.05 52.71 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.855 -0.424 . . . . 73.24 109.855 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.63 -41.5 95.02 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.454 1.102 . . . . 73.45 111.441 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -61.75 -29.94 70.45 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.46 1.104 . . . . 75.32 112.014 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.552 HD13 ' HA ' ' A' ' 59' ' ' ARG . 43.3 mt -76.08 -41.46 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 109.467 -0.568 . . . . 74.01 109.467 174.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -16.96 62.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.939 0.896 . . . . 73.33 112.194 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.6 m -72.75 -22.58 60.83 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.291 0.637 . . . . 72.44 111.96 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.7 mtm -64.47 -29.33 70.37 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.522 0.677 . . . . 73.41 110.323 174.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t -71.17 111.97 6.94 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.06 -1.089 . . . . 63.21 108.06 164.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 99' ' ' ASP . 45.8 t -66.31 -35.37 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.389 0.431 . . . . 62.22 110.359 -176.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.7 m -62.58 -49.25 76.0 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.059 0.544 . . . . 52.12 111.504 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.16 -37.34 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 122.968 0.507 . . . . 62.41 109.838 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -61.0 -41.54 96.73 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.387 0.675 . . . . 75.23 110.2 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.94 -31.01 69.59 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.2 0.6 . . . . 64.31 110.987 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.7 mtt -66.92 -40.73 87.73 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.23 0.612 . . . . 65.05 109.918 173.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.21 -38.17 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 123.85 0.86 . . . . 72.52 110.477 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.32 -38.46 60.22 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.946 0.498 . . . . 73.01 111.659 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.9 -46.46 21.24 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.432 0.693 . . . . 74.33 111.556 -174.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -81.91 -19.31 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.524 0.73 . . . . 71.32 110.63 -176.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.43 26.83 29.23 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 116.407 -0.36 . . . . 73.0 112.239 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 76.27 127.5 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.283 1.833 . . . . 54.3 111.729 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.4 m -116.15 114.17 24.11 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.807 0.843 . . . . 64.05 109.669 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.18 -29.91 61.98 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.36 -0.978 . . . . 60.04 108.36 167.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 m -59.29 152.77 51.63 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.262 1.425 . . . . 70.24 111.796 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -67.15 142.64 61.87 Favored 'Trans proline' 0 C--N 1.373 1.845 0 C-N-CA 122.695 2.264 . . . . 75.31 112.492 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mm -123.56 117.53 27.7 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 124.194 0.998 . . . . 74.25 108.892 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -80.87 141.73 13.55 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.211 1.941 . . . . 61.32 111.561 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.466 HD23 HD21 ' A' ' 98' ' ' LEU . 6.9 mp -110.31 92.28 13.25 Favored Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 107.71 -1.219 . . . . 73.12 107.71 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.77 70.69 7.12 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.954 2.436 . . . . 64.52 112.068 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -169.12 -57.24 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.64 0.776 . . . . 72.02 109.812 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.402 HG11 HD13 ' A' ' 51' ' ' LEU . 7.4 p -88.17 128.64 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 CA-C-N 115.22 -0.9 . . . . 75.51 110.081 -174.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.7 p -71.81 165.79 23.37 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.515 0.726 . . . . 73.13 110.87 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.8 p -68.55 -39.44 81.1 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.594 0.59 . . . . 71.12 112.594 -174.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -64.16 -40.59 96.45 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.989 0.516 . . . . 74.33 110.932 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 54' ' ' VAL . 51.7 mm -74.73 -46.81 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.961 -0.563 . . . . 74.53 109.897 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.402 HD13 HG11 ' A' ' 46' ' ' VAL . 44.9 tp -64.23 -35.09 79.68 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.522 0.729 . . . . 74.43 111.239 -175.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -56.21 -50.15 72.07 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.769 0.668 . . . . 60.31 109.577 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -69.86 -34.55 73.75 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.492 1.12 . . . . 62.15 112.081 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 50' ' ' ILE . 55.6 t -65.94 -48.04 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.526 0.73 . . . . 75.45 109.728 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.6 ' HB3' HD12 ' A' ' 16' ' ' ILE . 76.1 mt -73.24 -28.28 62.06 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.472 -0.785 . . . . 73.12 111.209 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.88 -35.15 64.68 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.832 0.853 . . . . 71.02 111.225 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -69.79 -43.35 72.3 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.177 -0.675 . . . . 61.41 109.177 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' A' ' 100' ' ' ILE . 85.4 m -63.02 -41.91 99.67 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.376 -0.829 . . . . 64.14 110.521 175.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.552 ' HA ' HD13 ' A' ' 20' ' ' ILE . 45.8 ttp85 -60.0 -46.53 89.19 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.727 0.811 . . . . 72.22 109.7 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -59.53 -47.67 84.62 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 114.348 -1.296 . . . . 54.22 111.118 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -72.55 -31.22 65.11 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.583 0.552 . . . . 61.21 111.701 -171.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -80.5 -45.75 16.98 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.986 0.515 . . . . 75.44 110.745 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -77.35 -32.63 55.19 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.492 0.717 . . . . 70.15 111.084 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -127.15 90.58 48.81 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 124.276 1.031 . . . . 70.42 108.323 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -55.6 -23.98 42.8 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.31 2.674 . . . . 73.51 114.55 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.45 22.92 52.77 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 116.463 -0.335 . . . . 53.14 113.361 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.23 61.3 4.27 Favored Glycine 0 C--N 1.35 1.36 0 CA-C-N 116.818 0.309 . . . . 62.4 112.816 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.1 m -146.34 85.09 1.65 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.067 0.947 . . . . 63.11 109.389 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.76 92.7 0.1 Allowed Glycine 0 C--N 1.348 1.218 0 CA-C-N 115.366 -0.834 . . . . 70.14 112.245 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.61 70.72 5.0 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 108.416 -0.957 . . . . 51.4 108.416 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -179.88 -31.22 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.148 -1.387 . . . . 71.22 109.313 -168.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -52.01 -47.61 64.88 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.695 1.198 . . . . 75.0 111.991 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.6 mm 59.6 88.11 0.13 Allowed Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 124.856 1.262 . . . . 73.34 109.605 -173.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.66 129.33 33.1 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.632 2.221 . . . . 75.31 112.115 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -58.32 -18.78 39.72 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 123.163 2.575 . . . . 74.34 113.004 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.16 -54.76 36.46 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.984 0.913 . . . . 73.01 110.096 173.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.88 -29.27 64.17 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.963 0.905 . . . . 75.25 111.29 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -74.7 -36.55 62.73 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.923 -0.581 . . . . 71.21 110.588 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.594 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 10.7 m-20 -77.81 -22.99 49.21 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.107 -0.497 . . . . 62.3 111.188 173.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -61.13 -39.89 91.75 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 109.775 -0.454 . . . . 73.05 109.775 168.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 76.5 m -75.85 0.39 18.33 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.917 0.887 . . . . 34.41 112.556 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.594 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 34.2 mmtp -76.14 85.21 2.99 Favored 'General case' 0 C--N 1.362 1.139 0 N-CA-C 108.865 -0.791 . . . . 61.44 108.865 170.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.51 ' HB ' ' HB ' ' A' ' 87' ' ' THR . 13.9 m -135.73 151.99 30.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 C-N-CA 124.467 1.107 . . . . 63.13 109.091 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -75.39 170.58 15.82 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.38 -0.6 . . . . 75.33 109.38 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.08 -50.78 85.41 Favored Pre-proline 0 CA--C 1.563 1.479 0 CA-C-O 118.245 -0.883 . . . . 72.1 113.202 -175.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.411 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 36.5 Cg_endo -62.56 -34.44 75.11 Favored 'Trans proline' 0 C--N 1.389 2.66 0 CA-C-N 121.296 1.499 . . . . 71.25 112.362 174.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.51 ' HB ' ' HB ' ' A' ' 83' ' ' VAL . 4.1 m -68.85 -30.33 68.83 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 124.134 0.974 . . . . 73.41 111.295 -175.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.48 ' HG ' HG23 ' A' ' 83' ' ' VAL . 13.0 mt -54.96 -51.93 64.62 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.139 0.976 . . . . 55.25 109.891 170.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -69.0 -30.37 68.75 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.034 -0.984 . . . . 75.42 111.694 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 35.2 mm-40 -65.62 -36.22 83.08 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.765 0.426 . . . . 75.25 111.86 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.51 HD11 HG11 ' A' ' 83' ' ' VAL . 90.4 mt -68.89 -36.3 77.89 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.881 0.472 . . . . 74.31 110.641 174.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.73 -44.86 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.668 0.787 . . . . 61.31 110.162 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.5 mt -68.51 -38.27 80.77 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.843 0.857 . . . . 64.45 111.206 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.58 -38.94 70.86 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.395 0.678 . . . . 71.02 111.324 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.52 -30.17 65.62 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.379 0.672 . . . . 63.44 111.612 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.446 HD21 ' HA ' ' B' ' 105' ' ' ASP . 25.3 t30 -72.79 -44.38 61.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.769 0.827 . . . . 73.33 109.891 173.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -64.05 -35.48 80.88 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.984 0.913 . . . . 64.43 111.362 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.466 HD21 HD23 ' A' ' 43' ' ' LEU . 86.2 mt -103.5 1.95 33.0 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.177 0.591 . . . . 74.23 112.555 -177.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.416 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 3.9 m-20 61.3 18.47 9.25 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.562 0.745 . . . . 75.43 112.745 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.643 HD13 ' SG ' ' A' ' 58' ' ' CYS . 47.9 mt -80.74 89.01 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.484 0 N-CA-C 108.531 -0.915 . . . . 70.22 108.531 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 104' ' ' LEU . 42.6 mtpt -69.19 -33.2 3.81 Favored Pre-proline 0 CA--C 1.554 1.128 0 CA-C-O 117.613 -1.184 . . . . 75.14 113.422 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -48.06 -39.07 33.14 Favored 'Trans proline' 0 C--N 1.397 3.092 0 C-N-CA 121.976 1.784 . . . . 72.34 112.993 166.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 33.0 tp -81.26 -48.77 11.59 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.206 0.602 . . . . 75.11 111.069 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 101' ' ' LYS . 54.9 tp -56.88 -48.97 76.92 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.28 1.032 . . . . 70.13 111.278 -173.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 27.8 t70 -62.04 -50.69 70.99 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 114.551 -1.204 . . . . 75.05 110.643 -176.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.55 -45.45 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 O-C-N 124.214 0.946 . . . . 75.44 112.115 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 91' ' ' LEU . 58.8 m -66.38 -46.78 75.5 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.553 0.341 . . . . 41.23 110.959 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.3 m -66.87 -29.41 69.31 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.705 -0.679 . . . . 65.24 111.191 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 105' ' ' ASP . 0.8 OUTLIER -72.5 -46.81 52.94 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 109.173 -0.677 . . . . 64.42 109.173 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.7 m -61.44 -50.04 74.38 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 124.157 0.911 . . . . 74.11 111.302 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.52 -33.31 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 123.392 0.433 . . . . 73.23 110.767 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.84 -35.33 67.24 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 123.404 0.682 . . . . 73.24 111.125 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 116' ' ' ARG . 90.1 m-20 -72.67 -24.39 61.02 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.369 0.667 . . . . 64.21 111.478 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 46.4 mtm -63.88 -39.24 93.72 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.646 0.378 . . . . 72.41 110.639 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 31.9 pt -92.79 -22.72 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.304 0.642 . . . . 60.15 111.221 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.469 ' HB3' ' HA ' ' A' ' 113' ' ' ASN . 60.6 ttt180 -74.88 -48.25 25.8 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.252 1.021 . . . . 73.1 110.446 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 N-CA-C 110.687 -0.965 . . . . 38.08 110.687 -176.638 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.588 -0.152 . . . . 75.3 110.588 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 69.5 mt -91.2 120.61 32.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.457 0.703 . . . . 61.43 110.708 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 m -90.77 132.0 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 108.92 -0.77 . . . . 62.41 108.92 166.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.54 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 50.9 mttm -83.31 119.63 24.83 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 108.549 -0.908 . . . . 71.32 108.549 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -120.69 103.29 9.0 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.171 0.589 . . . . 72.33 109.705 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -81.96 154.5 25.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.367 0.604 . . . . 62.11 110.346 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.9 p -92.03 -174.65 3.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.946 -1.025 . . . . 64.03 110.967 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.7 p -64.05 -31.07 72.13 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 115.589 -0.732 . . . . 73.33 109.834 167.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.405 ' HB2' ' HB3' ' B' ' 48' ' ' SER . 3.5 m-20 -77.33 -2.65 36.01 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.638 1.175 . . . . 73.1 111.652 173.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 66.94 12.23 8.83 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 125.276 1.43 . . . . 74.51 113.274 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -73.84 128.48 35.64 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.51 -0.552 . . . . 75.52 109.51 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.76 117.98 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.257 1.023 . . . . 64.43 110.602 -175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -116.67 87.9 2.79 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.923 -0.769 . . . . 72.42 108.923 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.54 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 98.2 mt-10 -67.51 128.16 35.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.913 -1.039 . . . . 75.22 108.873 173.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' B' ' 55' ' ' LEU . 9.1 tt -143.04 149.04 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.238 -1.023 . . . . 74.24 108.238 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.13 132.83 55.2 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.91 -0.404 . . . . 70.42 109.91 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.85 -41.58 96.13 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.348 1.059 . . . . 73.44 111.392 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.43 -30.45 70.58 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.069 0.856 . . . . 70.14 112.076 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.563 HD13 ' HA ' ' B' ' 59' ' ' ARG . 43.7 mt -75.63 -40.96 41.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 CA-C-O 121.205 0.526 . . . . 74.42 109.656 174.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.411 ' HB1' HG21 ' B' ' 27' ' ' ILE . . . -71.77 -16.52 62.2 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.856 0.863 . . . . 52.24 112.263 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -73.78 -21.96 60.0 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.457 0.703 . . . . 44.24 112.275 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 20.6 mtm -64.77 -29.33 70.3 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.566 0.698 . . . . 62.31 110.161 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.7 t -71.76 110.87 6.59 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.731 -1.122 . . . . 75.44 108.029 164.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.02 -34.67 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 123.346 0.404 . . . . 54.3 110.528 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 35.3 m -62.99 -49.36 74.99 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.024 0.53 . . . . 73.12 111.439 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.411 HG21 ' HB1' ' B' ' 21' ' ' ALA . 89.4 mt -64.96 -37.46 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.146 0.578 . . . . 63.34 109.836 178.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -61.17 -41.57 97.03 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.39 0.676 . . . . 74.14 110.14 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.12 -30.45 68.72 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.285 0.634 . . . . 75.25 111.03 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 67.7 mtt -67.09 -40.83 87.04 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.167 0.587 . . . . 64.13 109.823 173.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.2 -38.1 81.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.855 0.862 . . . . 73.32 110.632 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.94 -36.22 59.43 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.484 0.314 . . . . 74.15 111.704 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -78.84 -46.42 18.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.083 0.553 . . . . 72.23 111.62 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 57.5 mt -82.69 -18.42 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.667 0.787 . . . . 71.43 110.309 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.54 28.13 30.66 Favored Glycine 0 C--N 1.347 1.17 0 CA-C-N 116.156 -0.475 . . . . 63.43 111.986 -176.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 76.07 128.21 0.04 OUTLIER 'General case' 0 C--N 1.353 0.75 0 C-N-CA 126.433 1.893 . . . . 63.34 111.894 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 25.2 m -116.31 113.58 23.15 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 123.989 0.916 . . . . 74.2 109.621 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -73.35 -30.3 63.23 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 108.41 -0.959 . . . . 73.35 108.41 167.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.4 m -59.3 153.16 49.47 Favored Pre-proline 0 CA--C 1.557 1.231 0 CA-C-N 114.021 -1.445 . . . . 72.43 111.914 173.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.98 141.43 53.29 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.68 2.254 . . . . 73.41 113.03 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 48.2 mm -122.37 117.58 29.15 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.008 0.923 . . . . 61.13 108.85 -177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -81.15 141.46 12.97 Favored 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.173 1.915 . . . . 61.21 111.563 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.475 HD23 HD21 ' B' ' 98' ' ' LEU . 6.8 mp -109.87 92.7 13.1 Favored Pre-proline 0 CA--C 1.552 1.037 0 N-CA-C 107.641 -1.244 . . . . 75.13 107.641 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -82.15 68.14 7.92 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 123.038 2.492 . . . . 71.44 112.334 -174.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -166.91 -57.38 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.48 -0.782 . . . . 70.21 109.687 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.412 HG11 HD13 ' B' ' 51' ' ' LEU . 7.5 p -87.62 128.72 39.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-N 115.339 -0.846 . . . . 73.13 110.005 -174.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 72.0 p -71.67 166.55 21.69 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.663 0.785 . . . . 74.05 110.964 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' B' ' 10' ' ' ASP . 63.3 p -69.47 -38.31 77.65 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.729 0.641 . . . . 43.34 112.729 -173.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 23.4 p -64.54 -42.01 95.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.234 0.614 . . . . 74.42 110.777 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.445 ' O ' HG23 ' B' ' 54' ' ' VAL . 51.9 mm -74.07 -46.62 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 115.883 -0.598 . . . . 72.32 109.95 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.412 HD13 HG11 ' B' ' 46' ' ' VAL . 44.6 tp -64.48 -34.92 79.34 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.429 0.692 . . . . 74.44 111.288 -175.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -56.58 -49.24 75.44 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 123.53 0.519 . . . . 75.53 109.649 173.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -70.72 -34.31 71.77 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 124.31 1.006 . . . . 74.25 112.176 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 50' ' ' ILE . 55.7 t -66.01 -47.98 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.677 0.791 . . . . 72.14 109.763 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.599 ' HB3' HD12 ' B' ' 16' ' ' ILE . 76.7 mt -73.51 -28.55 61.96 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.418 -0.81 . . . . 75.52 111.159 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -74.43 -34.55 63.25 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.701 0.8 . . . . 64.13 111.155 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -69.17 -43.72 73.69 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.04 -0.726 . . . . 73.03 109.04 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.651 ' SG ' HD13 ' B' ' 100' ' ' ILE . 85.7 m -62.98 -41.98 99.71 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 115.32 -0.854 . . . . 65.33 110.555 175.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.563 ' HA ' HD13 ' B' ' 20' ' ' ILE . 44.2 ttp85 -59.55 -47.0 87.23 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.707 0.803 . . . . 74.12 109.837 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -58.72 -47.66 83.81 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 114.355 -1.293 . . . . 72.3 111.229 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -73.1 -30.57 63.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.076 0.551 . . . . 64.24 111.911 -171.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -80.69 -46.32 15.75 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.768 0.427 . . . . 75.11 110.679 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -76.96 -33.45 57.65 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.553 -0.749 . . . . 64.31 110.86 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -126.47 91.19 48.14 Favored Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 124.198 0.999 . . . . 72.21 108.309 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.02 -24.67 41.04 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.46 2.773 . . . . 63.1 114.683 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.05 23.13 50.29 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-N 116.436 -0.347 . . . . 62.5 113.382 176.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.35 63.77 3.62 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 116.704 0.252 . . . . 72.11 112.788 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 70.0 m -148.31 85.21 1.52 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.05 0.94 . . . . 75.23 109.4 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.14 92.64 0.11 Allowed Glycine 0 C--N 1.349 1.262 0 CA-C-N 115.309 -0.86 . . . . 72.11 112.355 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.47 69.17 4.62 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 108.501 -0.926 . . . . 62.22 108.501 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -178.46 -31.43 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.155 1.382 . . . . 75.13 109.264 -167.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -53.16 -46.76 69.02 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.716 1.206 . . . . 72.23 111.86 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.8 mm 58.61 88.49 0.12 Allowed Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.677 1.191 . . . . 63.13 109.616 -173.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' B' ' 75' ' ' PRO . 39.4 Cg_exo -58.13 129.2 31.88 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 122.616 2.211 . . . . 71.34 112.036 -177.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 74' ' ' PRO . 39.7 Cg_exo -58.24 -19.2 41.14 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 123.429 2.752 . . . . 73.44 113.18 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -61.43 -54.48 43.02 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.214 1.006 . . . . 73.23 110.074 173.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.51 -29.46 63.63 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.026 0.931 . . . . 75.22 111.399 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -74.77 -36.7 62.55 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.877 -0.601 . . . . 75.34 110.456 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.599 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 11.5 m-20 -77.37 -23.24 50.84 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.006 -0.543 . . . . 60.22 111.249 173.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.4 -40.44 94.37 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 109.683 -0.488 . . . . 74.3 109.683 168.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.43 0.75 15.95 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.013 0.925 . . . . 51.34 112.52 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.599 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 34.3 mmtp -75.74 86.69 2.76 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 108.638 -0.875 . . . . 73.51 108.638 170.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.521 HG11 HD11 ' B' ' 91' ' ' LEU . 14.5 m -136.61 152.31 29.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 C-N-CA 124.416 1.086 . . . . 70.21 108.777 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -75.67 169.97 17.09 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.175 -0.676 . . . . 74.12 109.175 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -56.26 -50.82 85.35 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 118.269 -0.872 . . . . 73.02 113.334 -175.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -63.19 -33.36 72.37 Favored 'Trans proline' 0 C--N 1.389 2.663 0 C-N-CA 121.595 1.53 . . . . 73.23 112.14 174.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' THR . . . . . 0.478 ' HB ' ' HB ' ' B' ' 83' ' ' VAL . 4.2 m -69.4 -30.37 68.32 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.236 1.014 . . . . 53.52 111.498 -175.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.49 ' HG ' HG23 ' B' ' 83' ' ' VAL . 13.3 mt -54.39 -51.96 63.2 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.177 0.991 . . . . 75.34 109.974 170.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -68.91 -30.35 68.81 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.079 -0.964 . . . . 75.41 111.677 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -65.07 -36.41 84.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.842 0.457 . . . . 70.45 111.797 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.521 HD11 HG11 ' B' ' 83' ' ' VAL . 90.6 mt -69.21 -36.4 77.22 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.911 0.484 . . . . 74.35 110.608 175.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.5 -44.91 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.745 0.818 . . . . 75.14 110.241 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.63 -38.15 80.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.902 0.881 . . . . 73.0 111.141 -178.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.81 71.0 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.434 0.693 . . . . 65.54 111.29 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.86 -29.97 64.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.367 0.667 . . . . 34.33 111.683 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -73.04 -43.38 62.07 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.797 0.839 . . . . 54.1 109.92 173.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -64.02 -37.76 88.62 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.161 0.985 . . . . 70.42 111.174 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.475 HD21 HD23 ' B' ' 43' ' ' LEU . 86.1 mt -102.3 1.63 35.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.313 0.645 . . . . 73.12 112.408 -176.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 61.4 18.44 9.32 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.507 0.723 . . . . 54.21 112.89 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.651 HD13 ' SG ' ' B' ' 58' ' ' CYS . 48.2 mt -80.24 89.3 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.465 0 N-CA-C 108.538 -0.912 . . . . 64.24 108.538 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.462 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 42.0 mtpt -69.36 -33.19 3.7 Favored Pre-proline 0 CA--C 1.553 1.07 0 CA-C-O 117.616 -1.183 . . . . 71.45 113.445 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -47.96 -39.45 32.5 Favored 'Trans proline' 0 C--N 1.397 3.081 0 C-N-CA 121.941 1.76 . . . . 60.34 112.989 166.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 34.0 tp -80.96 -49.08 11.4 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.103 0.561 . . . . 75.21 110.957 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' B' ' 101' ' ' LYS . 54.6 tp -56.6 -48.54 77.19 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.399 1.079 . . . . 64.32 111.27 -173.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' B' ' 109' ' ' LYS . 29.1 t70 -62.23 -50.97 69.64 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.573 1.17 . . . . 61.2 110.702 -176.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.28 -45.36 96.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 O-C-N 124.109 0.88 . . . . 62.41 112.05 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.494 HG21 ' HB2' ' B' ' 91' ' ' LEU . 57.0 m -66.58 -46.8 74.78 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.486 0.314 . . . . 75.44 111.039 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 72.9 m -67.03 -29.41 69.22 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.742 -0.663 . . . . 63.41 111.198 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' B' ' 105' ' ' ASP . 0.8 OUTLIER -72.28 -46.9 53.88 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.264 -0.643 . . . . 63.21 109.264 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 96.6 m -61.46 -50.41 72.88 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.206 0.941 . . . . 64.03 111.28 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.43 -33.56 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 O-C-N 123.428 0.455 . . . . 62.2 110.681 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.11 -35.52 69.19 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.242 0.617 . . . . 71.1 111.22 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.509 ' HA ' ' HB3' ' B' ' 116' ' ' ARG . 88.8 m-20 -72.5 -25.03 61.25 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.316 0.646 . . . . 73.33 111.28 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 48.0 mtm -63.21 -38.16 90.07 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.725 0.41 . . . . 75.32 110.712 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 29.8 pt -94.11 -23.18 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.131 0.572 . . . . 45.44 111.084 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ARG . . . . . 0.509 ' HB3' ' HA ' ' B' ' 113' ' ' ASN . 60.2 ttt180 -74.68 -46.68 36.29 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.324 1.049 . . . . 75.33 110.813 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.252 0 N-CA-C 110.657 -0.977 . . . . 72.41 110.657 -176.649 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 110.221 -0.289 . . . . 61.12 110.221 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.45 118.44 9.41 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.266 0.626 . . . . 73.54 110.045 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 38' ' ' ASP . 21.9 m -69.28 121.22 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.472 0.653 . . . . 55.45 109.441 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.551 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 64.9 mttm -81.13 83.42 6.79 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.925 -1.034 . . . . 65.33 110.517 -171.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.2 mt -76.0 86.85 2.92 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.457 0.646 . . . . 74.43 110.161 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.16 113.63 16.28 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.708 -1.133 . . . . 70.44 109.751 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.8 p -72.91 175.2 6.79 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.601 0.76 . . . . 64.01 112.296 -176.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 t -61.17 -29.46 69.81 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.032 0.933 . . . . 74.33 110.892 172.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.4 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 32.4 t70 -87.95 11.95 14.54 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.059 0.944 . . . . 62.41 111.012 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 74.07 -2.39 2.8 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.667 1.587 . . . . 72.01 113.667 172.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -78.6 123.19 26.85 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 109.968 -0.382 . . . . 63.14 109.968 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 5' ' ' LYS . 83.9 t -91.2 100.63 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.516 1.126 . . . . 24.05 110.619 -171.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -90.28 93.21 9.25 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.301 0.64 . . . . 75.53 110.166 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.551 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 46.3 mt-10 -74.1 83.97 1.81 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.258 -0.883 . . . . 75.24 109.962 176.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.3 tp -92.66 156.05 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.526 -0.916 . . . . 73.43 108.526 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.62 136.4 58.0 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 109.927 -0.397 . . . . 73.0 109.927 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -56.31 -41.23 75.64 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.056 0.942 . . . . 74.31 111.23 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -60.39 -32.32 71.2 Favored 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.234 0.959 . . . . 75.12 112.668 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 50.2 mt -81.18 -34.17 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.38 0.672 . . . . 73.53 110.052 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.19 -18.8 62.46 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.159 0.584 . . . . 44.43 111.52 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.1 m -71.32 -25.38 62.38 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.251 0.62 . . . . 71.44 111.636 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.459 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 86.6 mtp -61.02 -36.88 80.7 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.098 0.559 . . . . 72.33 110.311 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.491 ' HA ' HG12 ' A' ' 100' ' ' ILE . 47.4 t -68.79 109.41 3.85 Favored 'General case' 0 C--N 1.343 0.286 0 N-CA-C 108.41 -0.959 . . . . 74.12 108.41 168.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.465 ' HB ' ' HB2' ' A' ' 99' ' ' ASP . 95.5 t -61.97 -43.36 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 123.731 0.645 . . . . 73.44 110.595 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.0 m -63.47 -50.38 69.92 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.465 0.706 . . . . 64.43 111.914 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.54 -41.22 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 C-N-CA 122.807 0.443 . . . . 74.45 110.113 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -61.77 -40.04 93.76 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.593 0.558 . . . . 73.44 110.465 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -69.61 -29.45 66.97 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.771 0.428 . . . . 72.33 111.026 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.7 mtt -68.54 -39.55 81.06 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.195 0.598 . . . . 70.45 110.259 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.13 -52.94 52.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 124.042 0.937 . . . . 73.43 109.893 176.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.39 -28.95 69.63 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.575 1.15 . . . . 73.21 111.567 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.48 -44.07 97.27 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.724 0.81 . . . . 61.22 110.933 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.13 10.63 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 124.221 1.009 . . . . 72.22 109.403 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.95 -66.58 3.54 Favored Glycine 0 C--N 1.349 1.257 0 N-CA-C 109.547 -1.421 . . . . 65.32 109.547 -172.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -155.8 151.27 27.02 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 123.863 0.865 . . . . 71.11 109.157 168.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.6 m -143.9 89.21 2.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.521 0.729 . . . . 63.14 110.113 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.45 ' HA ' HG12 ' A' ' 4' ' ' VAL . 18.7 t70 -74.09 -27.04 60.7 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.215 1.006 . . . . 63.53 109.623 174.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.0 p -62.47 161.35 27.08 Favored Pre-proline 0 CA--C 1.565 1.549 0 C-N-CA 125.574 1.55 . . . . 75.13 112.641 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 9.4 Cg_endo -50.56 110.22 0.37 Allowed 'Trans proline' 0 C--N 1.391 2.779 0 C-N-CA 123.642 2.895 . . . . 73.04 114.851 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -89.79 112.55 52.66 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 108.732 -0.84 . . . . 75.01 108.732 173.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -82.49 129.51 5.8 Favored 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 122.728 2.285 . . . . 64.44 111.656 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.62 88.92 4.63 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 108.094 -1.076 . . . . 52.35 108.094 171.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.19 -12.82 21.16 Favored 'Trans proline' 0 C--N 1.379 2.177 0 C-N-CA 122.729 2.286 . . . . 72.3 113.263 -173.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -78.2 -58.21 3.38 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.152 0.581 . . . . 72.22 110.344 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.2 p -89.06 135.66 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 CA-C-O 121.133 0.492 . . . . 63.52 111.235 -172.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.9 p -80.07 175.17 10.87 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.085 0.954 . . . . 73.41 111.336 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 64.2 p -66.24 -47.76 72.74 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.9 0.88 . . . . 64.14 112.555 -174.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.1 p -59.26 -43.43 92.47 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.691 0.796 . . . . 73.42 111.46 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.526 HG23 HD23 ' A' ' 91' ' ' LEU . 46.4 mm -75.65 -47.94 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.242 -0.89 . . . . 72.42 110.276 -177.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.2 tp -61.77 -38.69 88.96 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.402 0.681 . . . . 64.02 111.185 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.19 -51.59 69.11 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.994 0.918 . . . . 63.53 110.61 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -61.9 -45.28 94.4 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 124.42 1.075 . . . . 54.3 111.35 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.28 -40.39 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 123.153 0.581 . . . . 75.25 111.143 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.1 mt -73.0 -35.17 66.78 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.018 0.527 . . . . 63.23 111.427 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.64 -32.64 66.05 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.278 0.631 . . . . 72.42 110.021 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -71.75 -46.85 57.15 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.163 0.585 . . . . 74.14 109.744 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.551 ' SG ' HG21 ' A' ' 100' ' ' ILE . 97.1 m -62.14 -32.0 72.54 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 123.759 0.662 . . . . 71.1 110.766 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 33.2 ttp180 -65.46 -45.94 81.8 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 123.551 0.532 . . . . 75.1 110.491 174.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -65.05 -35.29 80.68 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 123.273 0.358 . . . . 75.1 110.759 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -79.08 -15.84 57.61 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.368 0.667 . . . . 71.12 110.391 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.459 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 42.9 t60 -81.89 -35.36 29.31 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.222 0.609 . . . . 72.42 109.69 173.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 9.2 mm100 -71.05 -33.8 70.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 116.006 -0.543 . . . . 72.33 109.783 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -131.02 91.67 35.7 Favored Pre-proline 0 N--CA 1.475 0.819 0 N-CA-C 108.141 -1.059 . . . . 74.53 108.141 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -61.71 -14.62 37.11 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 123.032 2.488 . . . . 72.51 113.58 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.03 -42.47 0.07 OUTLIER Glycine 0 C--N 1.34 0.794 0 N-CA-C 111.338 -0.705 . . . . 51.42 111.338 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.92 133.51 5.66 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 111.982 -0.447 . . . . 54.21 111.982 -177.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 m -75.0 -5.63 45.02 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.164 0.586 . . . . 73.53 112.228 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.4 104.42 1.21 Allowed Glycine 0 C--N 1.348 1.211 0 O-C-N 123.577 0.548 . . . . 51.52 112.897 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.72 84.7 0.11 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.784 0.833 . . . . 71.23 110.794 174.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.0 t70 65.38 9.25 5.56 Favored 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.987 1.315 . . . . 74.45 110.609 -172.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -92.5 93.65 8.67 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.327 1.051 . . . . 72.23 108.258 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.1 mt -72.55 119.17 73.59 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 114.384 -1.28 . . . . 74.41 109.3 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.86 148.69 91.5 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.712 2.275 . . . . 73.21 111.9 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.93 -35.73 61.39 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.398 2.732 . . . . 65.02 113.761 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -56.27 -55.66 30.58 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 123.914 0.759 . . . . 73.35 110.739 175.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.74 -28.44 64.71 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 124.132 0.895 . . . . 74.13 110.912 -170.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -71.67 -51.03 25.15 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.533 0.733 . . . . 64.14 110.601 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -71.42 -22.27 61.87 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.246 0.619 . . . . 51.35 111.454 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.24 -45.95 89.77 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.795 0.838 . . . . 73.31 110.058 174.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.549 ' HB3' HG21 ' A' ' 110' ' ' THR . 67.4 m -70.62 -18.22 62.88 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 114.694 -1.139 . . . . 71.41 111.699 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -80.65 77.43 7.48 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 121.821 0.819 . . . . 72.24 110.064 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.39 173.59 11.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 C-N-CA 124.531 1.132 . . . . 62.3 108.754 174.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.7 158.87 29.06 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.628 -0.508 . . . . 74.41 109.628 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -62.58 -42.71 80.92 Favored Pre-proline 0 CA--C 1.572 1.803 0 CA-C-O 118.276 -0.869 . . . . 74.01 112.367 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.24 -43.89 32.14 Favored 'Trans proline' 0 C--N 1.393 2.879 0 C-N-CA 121.944 1.763 . . . . 64.53 111.966 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.0 m -65.29 -29.88 70.68 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.189 0.996 . . . . 43.45 111.288 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.5 tt -67.92 -44.93 75.74 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.194 0.998 . . . . 73.42 108.782 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -68.21 -30.37 69.43 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.606 -0.724 . . . . 74.11 111.166 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -61.98 -40.54 95.96 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.906 0.483 . . . . 51.01 111.006 173.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.526 HD23 HG23 ' A' ' 50' ' ' ILE . 98.5 mt -65.55 -42.64 91.65 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 123.481 0.488 . . . . 71.44 110.289 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.2 mt -60.49 -42.43 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.631 0.772 . . . . 71.2 110.629 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 99.3 mt -73.41 -27.86 61.68 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.787 0.835 . . . . 72.33 111.264 -178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.55 -45.54 68.54 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.887 0.475 . . . . 63.22 109.901 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.51 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -70.81 -27.81 64.17 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.582 0.753 . . . . 75.44 111.52 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -69.75 -41.76 74.78 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.531 1.132 . . . . 71.44 109.589 175.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -74.77 -35.11 62.55 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.442 1.097 . . . . 74.25 111.825 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.9 mt -100.87 -4.74 27.22 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.552 0.575 . . . . 74.15 112.552 -174.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.465 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 65.8 m-20 55.42 31.22 16.45 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.79 1.236 . . . . 52.24 112.346 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.551 HG21 ' SG ' ' A' ' 58' ' ' CYS . 59.3 mt -79.78 94.73 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 109.093 -0.706 . . . . 73.23 109.093 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -57.17 -43.31 99.19 Favored Pre-proline 0 CA--C 1.559 1.324 0 CA-C-O 117.119 -1.42 . . . . 61.24 112.682 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -49.35 -51.5 10.56 Favored 'Trans proline' 0 C--N 1.401 3.312 0 C-N-CA 122.491 2.127 . . . . 72.23 113.901 173.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.51 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.5 tm? -74.56 -41.05 61.22 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.133 0.573 . . . . 73.1 110.019 -174.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.491 HD11 HD11 ' B' ' 104' ' ' LEU . 43.6 tp -61.62 -47.47 85.26 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.808 0.843 . . . . 73.13 110.421 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.52 -52.58 65.04 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.044 -0.98 . . . . 64.14 110.66 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.11 -51.07 47.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 O-C-N 124.18 0.925 . . . . 64.25 112.413 -173.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.7 m -68.72 -40.34 79.96 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 122.725 0.41 . . . . 75.23 111.976 -171.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.5 m -70.87 -30.75 67.22 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.046 0.451 . . . . 73.32 110.94 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' A' ' 109' ' ' LYS . 34.9 ttmt -74.87 -31.93 61.74 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.577 0.751 . . . . 73.53 110.497 178.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.549 HG21 ' HB3' ' A' ' 81' ' ' CYS . 98.8 m -69.54 -46.28 66.82 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.344 0.658 . . . . 55.51 110.66 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.2 p -63.48 -31.92 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-O 120.956 0.408 . . . . 74.43 110.128 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.2 -46.74 79.47 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.463 -0.789 . . . . 63.24 110.587 171.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.4 -34.06 73.39 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.241 0.616 . . . . 74.44 111.545 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 110' ' ' THR . 36.6 mtm -67.9 -43.47 79.2 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.037 0.535 . . . . 65.2 111.194 -178.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.9 pt -75.69 -29.48 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 122.94 0.15 . . . . 73.0 110.783 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -77.41 88.5 3.79 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.302 0.641 . . . . 60.12 109.752 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 N-CA-C 110.547 -1.021 . . . . 44.44 110.547 174.922 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.288 -0.264 . . . . 44.43 110.288 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.62 119.5 11.25 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.603 0.761 . . . . 70.33 109.979 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' B' ' 38' ' ' ASP . 22.0 m -70.04 120.92 18.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 121.516 0.674 . . . . 71.03 109.711 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.549 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 65.5 mttm -80.52 83.85 6.24 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.814 -1.085 . . . . 72.13 110.403 -171.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -76.14 86.81 3.0 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.292 0.567 . . . . 74.05 110.16 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.66 113.92 15.99 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.973 -1.012 . . . . 73.44 109.566 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.3 p -72.85 175.6 6.39 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.404 0.682 . . . . 75.24 112.455 -176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.0 t -60.81 -29.95 69.78 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.926 -1.033 . . . . 65.22 110.999 172.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.417 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 32.9 t70 -88.87 13.68 12.1 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.358 1.063 . . . . 50.43 110.911 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 72.63 -2.31 2.7 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 125.577 1.551 . . . . 74.54 113.667 172.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -78.8 122.79 26.49 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.174 0.443 . . . . 65.41 109.818 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.2 t -90.31 103.71 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.54 1.136 . . . . 64.03 110.397 -172.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -93.13 92.82 7.96 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.71 0.804 . . . . 75.31 110.202 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.549 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 46.8 mt-10 -73.56 84.33 1.54 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.367 -0.833 . . . . 50.23 110.321 176.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.4 tp -93.16 155.95 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 108.533 -0.914 . . . . 41.4 108.533 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.9 135.73 57.69 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 109.717 -0.475 . . . . 74.54 109.717 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -55.54 -41.69 73.56 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.513 1.125 . . . . 75.33 111.176 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -59.22 -33.81 71.43 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.258 1.023 . . . . 74.23 112.407 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 50.0 mt -80.41 -34.22 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.557 0.743 . . . . 65.42 110.046 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.35 -18.69 62.36 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.291 0.637 . . . . 74.41 111.558 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 73.1 m -71.27 -25.2 62.35 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.04 0.536 . . . . 73.44 111.539 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' MET . . . . . 0.438 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 86.1 mtp -61.7 -36.34 80.63 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 121.221 0.534 . . . . 73.23 110.266 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.498 ' HA ' HG12 ' B' ' 100' ' ' ILE . 47.3 t -69.04 109.02 3.78 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.316 -0.994 . . . . 53.42 108.316 168.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.492 ' HB ' ' HB2' ' B' ' 99' ' ' ASP . 91.6 t -61.5 -43.81 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 123.786 0.679 . . . . 73.31 110.609 -177.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 35.6 m -63.09 -50.28 71.16 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.417 0.687 . . . . 70.31 111.9 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 81.9 mt -62.6 -40.93 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 122.876 0.471 . . . . 72.5 110.272 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -62.06 -40.05 94.47 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 123.011 0.525 . . . . 73.24 110.412 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -69.43 -29.85 67.66 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.63 0.372 . . . . 73.24 111.195 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 66.0 mtt -68.16 -39.43 82.59 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.33 0.652 . . . . 75.5 110.248 174.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.407 HG23 ' H ' ' B' ' 37' ' ' SER . 97.4 mt -63.29 -52.85 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 124.011 0.924 . . . . 74.21 109.937 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.13 -28.73 69.63 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.481 1.112 . . . . 75.33 111.413 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.5 -43.52 96.97 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.648 0.779 . . . . 73.41 110.934 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 27.9 mt -91.53 9.26 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 CA-C-N 114.986 -1.006 . . . . 71.52 109.372 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.9 -65.79 3.2 Favored Glycine 0 C--N 1.347 1.147 0 N-CA-C 110.051 -1.22 . . . . 61.11 110.051 -173.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -157.0 149.32 23.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.714 0.805 . . . . 72.41 108.917 167.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.407 ' H ' HG23 ' B' ' 31' ' ' ILE . 74.6 m -142.37 89.62 2.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.489 0.716 . . . . 72.31 110.412 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.446 ' HA ' HG12 ' B' ' 4' ' ' VAL . 18.1 t70 -74.03 -27.84 61.14 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.123 0.969 . . . . 73.12 109.641 174.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.2 p -61.99 160.12 31.96 Favored Pre-proline 0 CA--C 1.564 1.483 0 C-N-CA 125.713 1.605 . . . . 75.44 112.735 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.447 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 9.7 Cg_endo -49.71 110.42 0.37 Allowed 'Trans proline' 0 C--N 1.391 2.81 0 C-N-CA 123.677 2.918 . . . . 75.12 114.874 -177.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mm -89.94 112.12 50.41 Favored Pre-proline 0 CA--C 1.545 0.786 0 N-CA-C 108.851 -0.796 . . . . 74.33 108.851 173.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -82.5 129.54 5.79 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.826 2.351 . . . . 72.32 111.405 177.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.41 88.99 4.47 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 108.071 -1.085 . . . . 71.2 108.071 171.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.41 -11.68 20.75 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.816 2.344 . . . . 62.55 113.415 -173.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -79.47 -57.3 3.76 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.349 0.659 . . . . 52.4 110.536 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 11.3 p -89.49 134.23 29.31 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 CA-C-N 115.984 -0.553 . . . . 72.13 111.235 -172.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.5 p -78.85 174.77 11.15 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.236 1.014 . . . . 74.3 111.158 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.9 p -66.69 -46.71 74.72 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.592 0.757 . . . . 70.32 112.488 -173.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 58.4 p -59.41 -43.41 93.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.642 0.777 . . . . 54.01 111.554 -175.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.533 HG23 HD23 ' B' ' 91' ' ' LEU . 46.1 mm -75.46 -47.92 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.23 -0.895 . . . . 51.43 110.34 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.89 -39.35 91.65 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.349 0.66 . . . . 73.53 111.168 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.59 -51.49 69.29 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.156 0.982 . . . . 74.12 110.525 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -62.01 -44.96 95.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.843 -1.072 . . . . 74.13 111.536 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.8 -39.78 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.124 0.57 . . . . 72.54 111.029 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.95 -35.81 67.04 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.073 0.549 . . . . 74.23 111.403 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -72.58 -32.6 66.13 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.241 0.616 . . . . 73.13 110.162 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -71.52 -46.91 58.35 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.932 -0.576 . . . . 74.42 109.805 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.541 ' SG ' HG21 ' B' ' 100' ' ' ILE . 97.2 m -62.2 -31.64 72.19 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.78 0.675 . . . . 73.13 110.781 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 34.0 ttp180 -65.85 -45.88 80.53 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.614 0.571 . . . . 74.25 110.339 174.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -64.67 -35.47 81.13 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.32 0.388 . . . . 71.22 110.799 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -79.29 -15.5 57.86 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.669 0.787 . . . . 74.53 110.511 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' HIS . . . . . 0.438 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 45.7 t60 -81.66 -36.45 28.77 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.29 0.636 . . . . 72.22 109.596 172.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 8.8 mm100 -70.53 -34.38 72.22 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.652 0.595 . . . . 73.43 109.619 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -129.76 92.7 36.6 Favored Pre-proline 0 N--CA 1.474 0.728 0 N-CA-C 108.248 -1.019 . . . . 61.43 108.248 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.05 -11.62 25.75 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.145 2.563 . . . . 72.41 113.693 -177.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -144.49 -41.45 0.05 OUTLIER Glycine 0 C--N 1.342 0.912 0 N-CA-C 111.596 -0.602 . . . . 45.32 111.596 173.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.05 135.86 6.59 Favored Glycine 0 C--N 1.345 1.045 0 C-N-CA 123.187 0.422 . . . . 71.45 112.15 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 25.2 m -76.24 -5.93 49.13 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.665 0.786 . . . . 72.23 111.753 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.31 103.24 0.91 Allowed Glycine 0 C--N 1.348 1.202 0 CA-C-O 119.615 -0.547 . . . . 72.43 112.873 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.94 85.1 0.08 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.859 0.864 . . . . 45.5 110.698 173.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.9 t70 65.45 7.33 4.26 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.889 1.276 . . . . 63.22 110.707 -172.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -91.24 93.62 9.17 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.087 -1.079 . . . . 52.22 108.087 -173.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 65.0 mt -71.95 119.98 77.57 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 114.329 -1.305 . . . . 71.43 109.275 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.25 148.08 93.86 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.653 2.235 . . . . 31.01 112.084 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.54 -34.61 52.88 Favored 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 123.539 2.826 . . . . 64.24 113.829 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -57.09 -55.92 28.41 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 123.039 0.535 . . . . 73.45 110.784 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.39 -28.22 64.92 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.074 0.95 . . . . 62.2 110.942 -170.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -71.87 -51.42 22.42 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.476 0.711 . . . . 70.42 110.625 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -71.17 -22.59 62.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.288 0.635 . . . . 74.32 111.509 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -59.07 -46.03 89.3 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.954 0.902 . . . . 62.01 109.992 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' CYS . . . . . 0.542 ' HB3' HG21 ' B' ' 110' ' ' THR . 69.9 m -70.52 -18.39 62.94 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.718 -1.128 . . . . 45.15 111.596 -178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -79.76 75.52 6.44 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 121.663 0.744 . . . . 74.43 110.684 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 m -123.7 174.3 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.183 0.993 . . . . 54.32 108.781 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.86 157.83 29.49 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.695 -0.483 . . . . 73.3 109.695 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -61.7 -43.03 86.66 Favored Pre-proline 0 CA--C 1.569 1.683 0 CA-C-O 118.428 -0.796 . . . . 74.15 112.281 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.39 -44.12 35.43 Favored 'Trans proline' 0 C--N 1.396 3.041 0 C-N-CA 121.858 1.705 . . . . 74.21 112.23 169.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 14.0 m -66.07 -29.42 69.75 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.98 0.912 . . . . 63.23 111.336 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.51 -45.12 76.71 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.154 0.981 . . . . 73.44 108.79 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -68.46 -30.35 69.19 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.631 -0.713 . . . . 74.23 111.093 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -61.99 -40.29 95.12 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.837 0.455 . . . . 72.24 111.027 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.533 HD23 HG23 ' B' ' 50' ' ' ILE . 98.3 mt -65.81 -42.61 90.44 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.575 0.547 . . . . 72.15 110.324 175.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.24 -42.32 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.596 0.758 . . . . 51.01 110.686 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.73 -27.67 61.31 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.67 0.788 . . . . 75.2 111.217 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.64 67.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.858 0.463 . . . . 75.44 109.789 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.505 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -70.47 -28.09 64.74 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.644 0.777 . . . . 71.21 111.441 177.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -69.9 -41.75 74.3 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.514 1.125 . . . . 62.52 109.431 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -74.74 -34.94 62.63 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.42 1.088 . . . . 72.44 111.646 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.99 -4.69 27.02 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 112.436 0.532 . . . . 72.33 112.436 -173.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.492 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 65.4 m-20 55.81 30.03 15.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.869 1.268 . . . . 74.01 112.526 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.541 HG21 ' SG ' ' B' ' 58' ' ' CYS . 60.0 mt -78.85 94.58 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 109.185 -0.672 . . . . 75.52 109.185 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -56.61 -42.94 98.84 Favored Pre-proline 0 CA--C 1.562 1.405 0 CA-C-O 117.222 -1.37 . . . . 72.41 112.975 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -49.4 -51.95 9.72 Favored 'Trans proline' 0 C--N 1.401 3.3 0 C-N-CA 122.613 2.209 . . . . 53.4 113.935 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.505 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.5 tm? -74.57 -40.81 61.41 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.148 0.579 . . . . 72.3 109.935 -174.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.491 HD11 HD11 ' A' ' 104' ' ' LEU . 42.9 tp -61.53 -47.63 84.7 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.78 0.832 . . . . 75.24 110.53 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.92 -52.58 65.15 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 114.957 -1.02 . . . . 70.12 110.695 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 76.1 t -68.32 -51.28 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 123.995 0.809 . . . . 75.15 112.31 -174.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 32.2 m -68.67 -40.05 80.31 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 122.792 0.437 . . . . 64.34 112.096 -171.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 72.8 m -71.24 -30.83 66.81 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 120.937 0.399 . . . . 64.32 111.014 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -74.81 -31.91 61.83 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.573 0.749 . . . . 71.12 110.568 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' THR . . . . . 0.542 HG21 ' HB3' ' B' ' 81' ' ' CYS . 99.7 m -69.3 -46.25 67.63 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 123.476 0.711 . . . . 61.53 110.647 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 6.7 p -63.87 -31.98 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-O 120.899 0.38 . . . . 75.35 110.101 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.05 78.32 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 115.435 -0.802 . . . . 73.31 110.571 171.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.01 -34.44 73.35 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.114 0.566 . . . . 62.1 111.318 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' B' ' 110' ' ' THR . 35.2 mtm -67.59 -43.85 79.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.082 0.553 . . . . 75.35 111.019 -178.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.0 pt -75.25 -29.47 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 122.225 0.21 . . . . 62.23 110.487 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 -77.69 89.43 3.97 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.09 0.556 . . . . 74.0 109.851 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.901 0 N-CA-C 110.494 -1.042 . . . . 74.22 110.494 174.937 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 120.792 0.33 . . . . 74.11 110.278 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.501 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 84.0 mt -88.66 119.47 29.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.733 0.813 . . . . 74.04 109.752 177.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.2 m -79.15 127.22 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 121.337 0.589 . . . . 75.14 109.853 173.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.496 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 65.3 mttm -79.94 91.82 5.47 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.309 1.044 . . . . 75.34 110.634 -173.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.6 HD21 HD13 ' A' ' 27' ' ' ILE . 10.7 mp -89.78 90.92 8.41 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.098 0.559 . . . . 75.04 109.739 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -77.65 126.3 30.67 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.697 -0.683 . . . . 73.21 109.331 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.1 p -79.18 174.71 11.29 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.053 0.941 . . . . 63.32 110.767 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.5 p -66.14 -21.03 66.32 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.323 0.649 . . . . 72.23 111.244 173.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.52 13.85 9.36 Favored 'General case' 0 CA--C 1.562 1.408 0 C-N-CA 123.848 0.859 . . . . 72.12 110.779 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 67.97 10.86 8.08 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 125.144 1.377 . . . . 44.32 113.057 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -90.34 122.45 33.24 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.58 -0.526 . . . . 61.51 109.58 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.6 t -90.24 98.68 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 123.792 0.837 . . . . 75.44 110.204 -172.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -90.72 96.0 10.42 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.532 0.733 . . . . 75.31 109.45 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.501 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 39.3 mt-10 -78.89 85.29 4.87 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 114.95 -1.023 . . . . 73.35 109.888 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.562 HD12 ' HB3' ' A' ' 55' ' ' LEU . 6.8 tt -86.45 156.11 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.612 0.765 . . . . 74.52 109.579 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.82 134.32 56.92 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 123.56 0.744 . . . . 73.23 109.587 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -63.08 -38.55 91.64 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.328 1.051 . . . . 62.1 112.508 -169.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -64.39 -31.13 72.21 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.206 0.603 . . . . 62.0 111.664 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.0 mt -81.54 -34.04 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 123.652 0.781 . . . . 71.2 110.973 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -27.72 69.53 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.105 0.562 . . . . 62.45 111.794 177.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 81.1 m -66.56 -22.17 66.15 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.046 0.938 . . . . 72.12 112.714 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 77.6 mtp -63.91 -25.55 68.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.159 0.584 . . . . 70.31 112.101 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 t -80.93 130.17 34.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.573 -0.899 . . . . 72.31 108.573 169.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 57.3 t -63.07 -51.99 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 123.579 0.549 . . . . 64.54 110.108 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 98' ' ' LEU . 87.8 m -60.88 -47.38 86.65 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 123.906 0.754 . . . . 74.12 112.023 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.6 HD13 HD21 ' A' ' 6' ' ' LEU . 83.6 mt -64.73 -42.54 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 122.541 0.337 . . . . 54.31 110.574 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -58.9 -47.58 84.48 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.461 0.704 . . . . 74.31 110.171 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -67.11 -30.41 70.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.342 1.057 . . . . 62.21 111.288 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.2 mmt -65.31 -50.51 65.4 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.475 -0.565 . . . . 72.23 109.475 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.57 -45.01 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.665 0.786 . . . . 70.22 110.248 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.71 -42.2 86.74 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.525 0.73 . . . . 70.23 111.828 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.34 -41.73 89.15 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.721 0.809 . . . . 72.3 110.759 -177.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.5 mt -71.14 -22.32 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.065 0.946 . . . . 63.43 110.515 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.37 60.16 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-N 116.344 -0.389 . . . . 61.43 112.334 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 75.63 116.52 0.06 Allowed 'General case' 0 C--N 1.353 0.724 0 C-N-CA 126.377 1.871 . . . . 75.04 110.633 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.4 m -144.56 150.24 37.16 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.132 0.973 . . . . 53.54 109.387 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -81.48 -3.35 52.79 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.334 0.654 . . . . 71.33 111.074 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 m -52.68 131.07 46.63 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.654 1.181 . . . . 75.12 111.436 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 33.3 Cg_exo -59.5 106.76 0.33 Allowed 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.633 2.222 . . . . 61.43 111.421 176.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.6 mm -66.62 110.2 4.54 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 124.108 0.963 . . . . 75.32 110.152 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -84.31 133.19 5.4 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.293 1.995 . . . . 75.5 111.556 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -118.47 89.43 36.54 Favored Pre-proline 0 CA--C 1.547 0.863 0 N-CA-C 108.483 -0.932 . . . . 73.12 108.483 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -81.61 57.47 6.38 Favored 'Trans proline' 0 C--N 1.378 2.123 0 C-N-CA 123.516 2.81 . . . . 72.13 112.352 -174.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -159.88 -62.47 0.07 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.493 -0.928 . . . . 74.23 108.493 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.02 124.21 37.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 115.623 -0.717 . . . . 75.21 110.018 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.5 p -76.96 175.08 9.88 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.916 0.886 . . . . 74.44 110.731 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 p -64.93 -46.64 80.8 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.853 0.461 . . . . 50.45 111.946 -175.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.9 p -61.39 -43.66 98.48 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.532 0.733 . . . . 73.31 111.222 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.631 HG23 HD23 ' A' ' 91' ' ' LEU . 51.8 mm -73.07 -44.57 56.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.737 -0.665 . . . . 73.33 110.409 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 tp -65.02 -34.09 77.61 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.947 0.499 . . . . 62.44 110.952 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.14 -50.58 72.38 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.037 0.935 . . . . 63.11 109.767 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HD2' HD21 ' A' ' 91' ' ' LEU . 67.6 mttm -61.62 -48.31 81.47 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.31 1.006 . . . . 74.34 111.249 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.477 HG11 HD12 ' A' ' 98' ' ' LEU . 55.6 t -58.61 -49.03 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.256 -0.883 . . . . 71.34 111.015 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 16' ' ' ILE . 68.9 mt -71.13 -29.57 65.4 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.64 0.587 . . . . 74.53 111.976 -176.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -72.09 -40.05 68.49 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.174 0.589 . . . . 73.31 109.416 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -71.54 -37.4 71.14 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.296 0.638 . . . . 75.5 110.925 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 96.3 m -60.99 -39.53 90.01 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.569 0.543 . . . . 43.32 109.677 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 44.3 ttm180 -61.68 -48.1 82.3 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 122.913 0.485 . . . . 60.03 110.85 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -54.46 -48.71 71.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.626 0.77 . . . . 73.24 111.635 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -75.09 -17.33 60.47 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.224 -0.898 . . . . 73.13 110.887 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.478 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 16.9 t60 -80.92 -40.32 24.79 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.799 0.44 . . . . 65.42 110.16 176.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 10.9 mm100 -75.6 -27.88 58.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.454 0.702 . . . . 64.25 110.234 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -124.58 75.21 63.29 Favored Pre-proline 0 CA--C 1.551 1.013 0 N-CA-C 108.411 -0.959 . . . . 73.2 108.411 173.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -95.61 25.57 0.3 Allowed 'Trans proline' 0 C--N 1.382 2.326 0 C-N-CA 123.487 2.791 . . . . 71.34 112.829 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.73 -66.88 2.2 Favored Glycine 0 C--N 1.351 1.371 0 O-C-N 123.612 0.57 . . . . 74.11 112.136 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.46 -1.18 29.5 Favored Glycine 0 C--N 1.351 1.408 0 N-CA-C 114.354 0.502 . . . . 62.34 114.354 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.0 p -83.08 72.21 10.12 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.988 0.915 . . . . 53.5 109.652 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.35 -48.2 3.88 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 114.83 -1.077 . . . . 74.04 112.502 -174.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 pp 48.11 26.98 1.13 Allowed 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 126.173 1.789 . . . . 75.23 113.195 -173.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.22 -82.83 0.02 OUTLIER 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.09 1.356 . . . . 74.25 110.776 -175.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -148.66 163.76 36.35 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 107.439 -1.319 . . . . 73.15 107.439 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mm -58.73 116.16 14.38 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 123.042 0.537 . . . . 61.23 110.528 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.74 154.11 51.56 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 123.152 2.568 . . . . 62.02 112.945 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.65 -37.98 54.54 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 123.843 3.029 . . . . 72.24 113.267 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -53.3 -50.91 63.94 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.912 0.757 . . . . 73.22 111.66 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.22 -33.38 74.31 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.844 0.857 . . . . 74.21 111.023 -172.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -64.39 -49.02 73.24 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.454 -0.794 . . . . 63.32 109.975 173.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.85 -23.47 63.29 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.553 -0.748 . . . . 64.41 112.182 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -64.74 -42.68 95.02 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.752 0.821 . . . . 72.23 109.59 172.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.422 ' HB3' HG21 ' A' ' 110' ' ' THR . 84.9 m -79.2 -17.68 54.4 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.017 -0.992 . . . . 72.22 111.946 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -76.33 82.22 3.09 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.406 -0.59 . . . . 71.1 109.406 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.1 m -126.45 175.62 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.05 0.94 . . . . 61.13 109.722 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.49 151.4 46.46 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 109.163 -0.681 . . . . 71.44 109.163 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -61.84 -53.36 61.06 Favored Pre-proline 0 CA--C 1.568 1.67 0 CA-C-O 118.374 -0.822 . . . . 72.22 112.167 -164.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.484 ' HA ' HD12 ' B' ' 115' ' ' ILE . 36.5 Cg_endo -66.5 -30.27 43.73 Favored 'Trans proline' 0 C--N 1.387 2.563 0 CA-C-N 121.557 1.592 . . . . 71.14 113.072 172.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.3 m -61.31 -31.29 71.14 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.947 0.899 . . . . 72.0 111.372 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.69 -43.22 98.02 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.806 0.842 . . . . 50.24 109.413 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.502 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 41.7 m-85 -74.63 -31.1 61.88 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.633 -0.712 . . . . 70.14 111.706 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 37.2 mm-40 -63.84 -32.01 73.38 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.858 0.463 . . . . 63.22 110.33 173.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.631 HD23 HG23 ' A' ' 50' ' ' ILE . 69.7 mt -71.49 -36.78 71.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.83 0.852 . . . . 71.34 111.264 172.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.68 -43.08 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 123.428 0.691 . . . . 75.23 110.005 174.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 84.2 mt -69.56 -37.78 77.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.686 0.795 . . . . 64.31 110.662 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.97 -32.3 61.66 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.564 0.746 . . . . 70.14 111.616 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.504 ' HB2' HD22 ' A' ' 103' ' ' LEU . . . -74.21 -28.51 61.29 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.125 0.57 . . . . 75.2 111.08 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -78.84 -36.74 41.99 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.697 0.799 . . . . 55.31 110.287 171.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -65.63 -37.93 87.98 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.554 1.142 . . . . 71.42 111.129 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.477 HD12 HG11 ' A' ' 54' ' ' VAL . 87.9 mt -100.68 -9.33 21.96 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.818 0.847 . . . . 75.45 111.088 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.496 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 29.9 t0 59.57 37.19 22.76 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.346 1.458 . . . . 71.11 112.35 173.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -83.41 105.12 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.806 -0.813 . . . . 64.43 108.806 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -59.13 -48.66 96.04 Favored Pre-proline 0 CA--C 1.565 1.554 0 CA-C-O 117.931 -1.033 . . . . 72.13 112.602 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.81 -50.7 10.83 Favored 'Trans proline' 0 C--N 1.402 3.354 0 C-N-CA 122.324 2.016 . . . . 75.03 112.679 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.504 HD22 ' HB2' ' A' ' 95' ' ' ALA . 3.6 tt -65.22 -43.97 89.76 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.945 0.498 . . . . 73.33 110.23 -175.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.565 HD21 HD21 ' B' ' 104' ' ' LEU . 40.5 tp -63.04 -41.7 99.56 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.154 0.582 . . . . 54.14 110.666 -178.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.94 -53.08 35.33 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.55 0.532 . . . . 53.52 110.187 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.58 -47.41 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.782 0.833 . . . . 75.23 111.66 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.0 m -72.13 -39.89 68.5 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.83 0.452 . . . . 73.34 111.701 -175.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 82.6 m -67.45 -30.88 70.72 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.492 0.317 . . . . 72.42 111.121 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -71.71 -39.13 70.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.236 0.614 . . . . 60.35 110.188 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.422 HG21 ' HB3' ' A' ' 81' ' ' CYS . 98.8 m -57.03 -48.01 79.53 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.208 0.603 . . . . 74.02 111.413 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.443 HG21 ' CZ ' ' A' ' 89' ' ' PHE . 7.7 p -72.75 -35.15 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 116.344 -0.389 . . . . 72.1 111.219 177.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 116' ' ' ARG . . . -60.83 -48.03 83.67 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 123.144 0.578 . . . . 60.42 111.024 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -59.72 -28.42 67.33 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.95 0.9 . . . . 74.4 112.392 -173.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 43.1 mtm -66.78 -43.83 82.95 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.175 0.59 . . . . 72.2 110.372 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.5 pt -101.38 -2.95 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.057 0.943 . . . . 74.45 111.84 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' A' ' 112' ' ' ALA . 1.8 tmt_? -96.98 41.13 1.12 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 108.14 -1.059 . . . . 70.14 108.14 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.509 0 N-CA-C 116.206 1.242 . . . . 50.14 116.206 178.089 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.055 0.455 . . . . 71.13 110.641 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.506 ' HB3' ' HB3' ' B' ' 15' ' ' GLU . 88.0 mt -88.86 118.73 28.78 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.288 -0.869 . . . . 55.34 109.811 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.2 m -78.86 126.44 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-O 121.204 0.526 . . . . 64.42 109.914 173.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.508 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 64.6 mttm -78.84 92.09 4.82 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.336 1.054 . . . . 74.11 110.736 -174.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.598 HD21 HD13 ' B' ' 27' ' ' ILE . 10.6 mp -89.73 91.03 8.48 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.619 -0.511 . . . . 73.51 109.619 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.9 126.6 31.08 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.749 -0.66 . . . . 75.22 109.51 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.2 p -79.46 175.63 10.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.983 0.913 . . . . 63.23 110.752 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.2 p -67.24 -21.02 65.75 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.492 0.717 . . . . 71.02 111.491 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -87.43 13.56 9.76 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 123.981 0.912 . . . . 63.25 110.732 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 68.2 10.9 8.12 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.109 1.364 . . . . 73.12 113.07 173.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -90.62 122.6 33.55 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.853 0.461 . . . . 72.35 109.82 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 48.8 t -89.78 98.05 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 123.997 0.919 . . . . 74.31 110.596 -173.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -90.32 96.76 10.82 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.501 0.72 . . . . 73.34 109.242 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.508 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 39.5 mt-10 -80.52 84.73 6.06 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.372 -0.831 . . . . 72.15 109.798 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' B' ' 55' ' ' LEU . 6.7 tt -85.72 155.92 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 115.637 -0.71 . . . . 53.23 109.621 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.05 133.51 56.16 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 123.574 0.75 . . . . 75.11 109.759 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -62.1 -39.2 91.69 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.466 1.106 . . . . 70.34 112.52 -169.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.72 -31.38 72.53 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.346 0.658 . . . . 71.13 111.873 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mt -81.66 -33.6 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.704 0.802 . . . . 75.4 110.907 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.68 69.4 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.011 0.524 . . . . 65.5 111.849 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 64.2 m -66.62 -22.68 66.11 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.126 0.971 . . . . 55.3 112.63 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 80.3 mtp -62.4 -29.64 70.64 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.289 0.635 . . . . 64.44 111.87 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.422 ' HA ' HG12 ' B' ' 100' ' ' ILE . 29.1 t -77.66 129.36 35.47 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.61 -0.885 . . . . 54.02 108.61 170.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 58.5 t -63.83 -50.52 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 123.705 0.628 . . . . 72.13 110.133 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.425 ' HB ' ' HA ' ' B' ' 98' ' ' LEU . 87.4 m -61.43 -47.99 83.24 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.341 0.656 . . . . 72.53 112.091 -177.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.598 HD13 HD21 ' B' ' 6' ' ' LEU . 83.2 mt -64.25 -42.37 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 122.623 0.369 . . . . 61.11 110.497 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -59.08 -47.6 84.65 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.364 0.665 . . . . 64.15 110.276 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -66.91 -30.4 70.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.181 0.992 . . . . 73.44 111.31 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 21.9 mmt -65.1 -50.47 65.98 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 109.605 -0.517 . . . . 64.32 109.605 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -59.05 -44.65 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.649 0.78 . . . . 74.43 110.225 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -66.54 -41.71 88.29 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.36 0.664 . . . . 62.42 111.628 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.64 -42.15 82.74 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.692 0.797 . . . . 71.3 110.741 -176.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 86.4 mt -69.84 -23.04 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 CA-C-N 115.019 -0.991 . . . . 74.33 110.471 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.71 18.62 58.05 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.208 -0.451 . . . . 71.45 112.261 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 74.7 114.95 0.06 Allowed 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.328 1.851 . . . . 74.21 111.114 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 66.2 m -143.38 151.0 39.9 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 124.284 1.034 . . . . 64.03 109.567 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -81.1 -5.11 57.27 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.594 0.758 . . . . 64.32 111.064 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -51.86 131.04 38.65 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.384 1.073 . . . . 64.31 111.457 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 32.4 Cg_exo -59.62 106.37 0.31 Allowed 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.755 2.303 . . . . 71.22 111.726 177.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 45.5 mm -66.54 109.77 3.88 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 124.118 0.967 . . . . 74.12 110.099 -177.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.65 132.69 4.96 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 122.314 2.009 . . . . 72.41 111.281 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.4 mt -117.7 89.71 33.82 Favored Pre-proline 0 CA--C 1.55 0.95 0 N-CA-C 108.701 -0.851 . . . . 64.52 108.701 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -81.38 57.4 6.41 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.722 2.948 . . . . 71.23 112.585 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -159.83 -63.69 0.07 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.326 -0.99 . . . . 72.41 108.326 -175.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -78.7 124.33 36.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 CA-C-N 115.817 -0.629 . . . . 65.24 110.175 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 73.8 p -76.54 175.1 9.56 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.888 0.875 . . . . 43.51 110.972 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 71.1 p -65.22 -46.1 82.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.943 0.497 . . . . 74.2 111.897 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.402 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 35.2 p -61.1 -43.86 98.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.521 0.729 . . . . 72.21 111.188 -178.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.631 HG23 HD23 ' B' ' 91' ' ' LEU . 51.7 mm -73.67 -44.66 52.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 115.689 -0.687 . . . . 64.32 110.404 -175.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.79 -34.08 77.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.039 0.536 . . . . 64.15 110.753 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.0 -51.41 69.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.916 0.886 . . . . 71.1 109.357 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.53 ' HD2' HD21 ' B' ' 91' ' ' LEU . 67.4 mttm -60.58 -48.8 80.15 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.294 -0.867 . . . . 73.14 111.303 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.486 HG11 HD12 ' B' ' 98' ' ' LEU . 55.5 t -58.33 -49.4 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 124.323 1.014 . . . . 73.31 111.084 -174.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.561 ' HB3' HD12 ' B' ' 16' ' ' ILE . 68.7 mt -70.62 -29.42 65.8 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.222 0.609 . . . . 65.31 112.061 -175.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -72.48 -39.75 67.46 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.4 0.68 . . . . 74.13 109.694 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -72.11 -37.2 69.55 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.699 -0.682 . . . . 74.35 111.009 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 95.3 m -60.99 -39.84 91.21 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.632 0.582 . . . . 72.55 109.664 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.47 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 45.0 ttm180 -61.52 -47.87 83.62 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.414 0.446 . . . . 74.12 110.852 175.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -54.58 -48.77 71.7 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.625 0.77 . . . . 72.34 111.581 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -74.95 -16.87 60.63 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.245 -0.889 . . . . 74.43 111.019 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' HIS . . . . . 0.47 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 15.7 t60 -82.09 -38.45 24.84 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.974 0.51 . . . . 71.44 110.497 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 10.6 mm100 -76.29 -27.96 56.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.46 0.704 . . . . 70.24 110.162 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -125.46 76.49 69.11 Favored Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 108.408 -0.96 . . . . 75.11 108.408 173.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -96.72 28.48 0.19 Allowed 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 123.488 2.792 . . . . 54.33 112.642 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.76 -66.53 2.25 Favored Glycine 0 C--N 1.35 1.336 0 N-CA-C 111.684 -0.567 . . . . 71.2 111.684 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.05 -1.6 23.64 Favored Glycine 0 C--N 1.35 1.336 0 N-CA-C 114.422 0.529 . . . . 63.44 114.422 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.6 p -82.66 74.09 9.65 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.192 0.997 . . . . 72.51 109.262 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.24 -47.92 3.93 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 114.981 -1.009 . . . . 50.44 112.675 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp 47.03 26.71 0.65 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 126.539 1.936 . . . . 72.33 113.294 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 63.15 -82.54 0.02 OUTLIER 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.197 1.399 . . . . 60.43 110.486 -175.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -147.98 164.56 33.4 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.802 1.241 . . . . 70.12 107.751 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 37.8 mm -59.78 115.94 14.85 Favored Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 123.895 0.747 . . . . 44.4 110.314 177.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.9 152.61 56.59 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.188 2.592 . . . . 71.23 112.932 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -49.0 -39.64 40.59 Favored 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 123.554 2.836 . . . . 70.03 113.24 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -52.27 -51.09 60.48 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.463 0.705 . . . . 73.41 111.742 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.48 -32.94 74.12 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.866 0.866 . . . . 62.32 111.242 -172.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -64.95 -48.45 74.02 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.408 -0.815 . . . . 52.11 109.975 173.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -70.34 -23.65 62.85 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.837 0.71 . . . . 70.22 111.915 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -64.57 -42.31 95.72 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.639 0.776 . . . . 63.44 109.652 172.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' CYS . . . . . 0.401 ' HB3' HG21 ' B' ' 110' ' ' THR . 73.8 m -80.06 -15.49 57.06 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.169 -0.923 . . . . 55.34 111.887 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -77.9 83.37 4.23 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 109.388 -0.597 . . . . 63.34 109.388 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 24.7 m -127.91 175.44 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.149 0.98 . . . . 71.11 109.934 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.9 151.21 46.23 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.605 0.762 . . . . 72.24 109.244 175.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -54.79 49.21 Favored Pre-proline 0 CA--C 1.567 1.602 0 CA-C-O 118.378 -0.82 . . . . 64.23 112.218 -165.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.418 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 38.1 Cg_endo -66.69 -29.43 43.1 Favored 'Trans proline' 0 C--N 1.387 2.574 0 CA-C-N 121.585 1.602 . . . . 73.03 112.621 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -60.84 -31.38 70.82 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.043 0.937 . . . . 75.32 111.39 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.13 -43.19 99.27 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.133 0.973 . . . . 74.31 109.392 175.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.461 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 48.8 m-85 -73.81 -31.09 63.07 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.563 -0.744 . . . . 51.31 111.552 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 37.2 mm-40 -64.15 -32.25 73.75 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.931 0.492 . . . . 71.51 110.492 174.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.631 HD23 HG23 ' B' ' 50' ' ' ILE . 70.2 mt -71.34 -36.97 71.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.879 0.871 . . . . 73.22 111.215 172.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.53 -43.78 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 123.51 0.724 . . . . 72.51 109.999 174.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 90.0 mt -69.24 -37.26 77.9 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.767 0.827 . . . . 74.23 110.625 -177.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.09 -32.33 61.42 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.388 0.675 . . . . 52.4 111.586 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.506 ' HB2' HD22 ' B' ' 103' ' ' LEU . . . -74.47 -28.82 61.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.073 0.549 . . . . 72.23 111.174 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -78.35 -36.85 45.59 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.637 0.775 . . . . 71.34 110.199 170.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -65.06 -38.09 89.68 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.192 0.997 . . . . 64.51 111.22 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.486 HD12 HG11 ' B' ' 54' ' ' VAL . 89.7 mt -100.5 -8.77 22.77 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.817 0.847 . . . . 71.0 111.112 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.495 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 24.0 t0 59.73 35.85 22.24 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.449 1.5 . . . . 64.41 112.105 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' B' ' 24' ' ' SER . 54.8 mt -82.59 105.81 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.788 -0.819 . . . . 74.14 108.788 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.414 ' HB2' ' HD3' ' B' ' 102' ' ' PRO . 72.9 mmtt -59.28 -49.51 92.33 Favored Pre-proline 0 CA--C 1.566 1.564 0 CA-C-O 118.202 -0.904 . . . . 71.53 112.724 -174.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' B' ' 101' ' ' LYS . 50.9 Cg_exo -56.7 -50.52 11.46 Favored 'Trans proline' 0 C--N 1.401 3.302 0 C-N-CA 122.315 2.01 . . . . 75.12 112.695 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' B' ' 95' ' ' ALA . 3.6 tt -65.32 -43.99 89.25 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.979 0.512 . . . . 75.2 110.195 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 104' ' ' LEU . 39.9 tp -63.34 -41.56 98.87 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.197 0.599 . . . . 74.1 110.673 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -67.24 -52.2 43.83 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.591 0.557 . . . . 70.32 110.286 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.65 -47.85 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.816 0.847 . . . . 73.32 111.75 -176.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 33.6 m -71.79 -40.05 69.47 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 122.839 0.456 . . . . 74.5 111.648 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 78.5 m -67.52 -30.78 70.53 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.569 0.348 . . . . 64.21 111.173 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -71.49 -38.75 71.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.112 0.565 . . . . 73.4 110.285 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' THR . . . . . 0.401 HG21 ' HB3' ' B' ' 81' ' ' CYS . 99.2 m -57.18 -47.85 80.22 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.082 0.553 . . . . 72.54 111.319 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.02 -34.28 38.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 115.946 -0.57 . . . . 65.54 111.168 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' B' ' 116' ' ' ARG . . . -61.7 -47.49 85.05 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.105 0.562 . . . . 73.4 111.045 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -59.28 -28.27 66.59 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.921 0.888 . . . . 75.35 112.257 -173.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 44.5 mtm -67.23 -44.23 79.99 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.421 0.689 . . . . 75.43 110.417 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 86' ' ' PRO . 27.9 pt -101.29 -7.78 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.179 -0.919 . . . . 63.52 112.432 -172.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' B' ' 112' ' ' ALA . 2.2 tmt_? -81.48 -9.33 59.73 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.279 0.631 . . . . 61.32 110.112 -175.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 118.555 2.182 . . . . 55.52 118.555 174.714 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 110.338 -0.245 . . . . 44.31 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.3 mt -80.0 128.76 33.87 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.376 0.67 . . . . 74.33 109.643 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 m -89.49 127.31 42.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 121.361 0.601 . . . . 62.05 109.468 175.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.554 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 60.6 mttp -82.88 109.08 16.69 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.332 1.053 . . . . 74.3 110.317 -175.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.521 HD21 HD13 ' A' ' 27' ' ' ILE . 11.3 mp -105.48 99.02 8.64 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.199 0.6 . . . . 63.41 109.395 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -79.06 124.18 28.04 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.24 -0.652 . . . . 65.33 109.24 174.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 p -82.2 179.96 7.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.553 0.741 . . . . 65.34 111.163 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 m -68.19 -17.93 64.45 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.045 0.938 . . . . 75.3 111.72 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.545 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 31.1 t70 -95.15 14.76 21.01 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.924 0.89 . . . . 74.54 110.163 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 67.02 12.97 9.29 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 124.781 1.232 . . . . 64.25 112.931 175.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -92.28 121.86 34.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.146 0.579 . . . . 73.51 110.049 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.5 t -90.21 119.85 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 123.786 0.834 . . . . 71.43 109.492 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -112.01 104.14 12.38 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.051 0.94 . . . . 74.13 108.497 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 32.8 mt-10 -82.93 78.5 9.5 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.725 0.81 . . . . 62.25 109.58 -177.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.454 HD12 ' HB3' ' A' ' 55' ' ' LEU . 6.2 tt -79.75 149.54 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.308 -0.86 . . . . 71.31 109.735 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -57.66 124.51 19.34 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.936 0.894 . . . . 72.42 109.697 171.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -55.57 -41.81 73.86 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.102 0.961 . . . . 63.44 112.022 -173.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.05 -35.11 70.86 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.158 0.983 . . . . 51.44 111.573 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 59' ' ' ARG . 51.6 mt -81.72 -35.22 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.951 -1.022 . . . . 72.45 110.78 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.76 -17.86 64.68 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.414 0.685 . . . . 71.31 111.739 175.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 70.9 m -70.17 -23.69 63.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.853 0.861 . . . . 65.32 112.632 176.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.0 mtm -66.44 -29.97 70.22 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 121.085 0.469 . . . . 71.34 110.545 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.581 ' HA ' HG12 ' A' ' 100' ' ' ILE . 48.1 t -76.26 114.54 15.05 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 108.109 -1.071 . . . . 72.53 108.109 168.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 35.7 t -63.43 -47.66 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 O-C-N 123.672 0.608 . . . . 64.12 110.437 -175.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.3 m -62.55 -49.8 73.88 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.267 0.627 . . . . 60.34 112.106 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.521 HD13 HD21 ' A' ' 6' ' ' LEU . 97.6 mt -61.5 -43.46 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 123.072 0.549 . . . . 70.43 110.312 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 23.3 ttpp -59.01 -45.33 90.94 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.485 0.714 . . . . 74.45 110.483 176.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -69.28 -30.3 68.36 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.406 0.682 . . . . 72.22 111.368 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.2 mtt -63.76 -47.0 82.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.244 0.618 . . . . 75.23 109.542 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.82 -44.53 98.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.892 0.877 . . . . 64.22 110.259 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.94 -40.35 91.29 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.58 0.752 . . . . 75.15 111.466 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -66.02 -44.19 85.45 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.782 0.833 . . . . 73.03 110.524 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.2 mm -66.9 -32.01 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.502 0.721 . . . . 62.44 110.108 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.15 16.98 65.89 Favored Glycine 0 C--N 1.348 1.236 0 N-CA-C 111.349 -0.701 . . . . 53.24 111.349 -169.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 71.92 141.05 0.05 Allowed 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.436 1.894 . . . . 64.31 111.139 -175.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.5 t -150.1 160.91 43.29 Favored 'General case' 0 C--O 1.244 0.77 0 C-N-CA 123.268 0.627 . . . . 73.33 109.386 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -76.05 -12.98 60.22 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.5 -0.773 . . . . 42.55 110.51 172.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -64.98 123.91 85.18 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 123.469 0.708 . . . . 65.14 110.696 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -59.07 117.84 4.64 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.834 2.356 . . . . 74.13 111.846 173.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.75 110.51 3.5 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.686 0.794 . . . . 73.34 109.736 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -90.01 116.61 0.64 Allowed 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.635 2.223 . . . . 71.12 111.902 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -98.25 100.46 9.06 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 108.593 -0.891 . . . . 71.33 108.593 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -87.77 41.86 0.71 Allowed 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 123.309 2.673 . . . . 74.33 112.549 -174.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -140.05 -54.2 0.53 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.769 0.827 . . . . 74.24 109.368 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.404 HG11 HD13 ' A' ' 51' ' ' LEU . 12.6 p -88.49 130.58 37.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 123.182 0.593 . . . . 72.23 110.782 -174.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.3 p -78.64 175.27 10.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.232 1.013 . . . . 74.43 111.092 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.545 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 52.0 p -63.29 -48.49 77.89 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.784 0.661 . . . . 53.22 112.784 -174.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 58.3 p -65.79 -39.98 91.49 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.121 0.568 . . . . 71.12 110.95 -176.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.582 HG23 HD23 ' A' ' 91' ' ' LEU . 50.2 mm -74.8 -41.95 47.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.764 -0.653 . . . . 50.21 110.397 -176.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 6' ' ' LEU . 44.7 tp -66.63 -44.53 81.76 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.83 -0.433 . . . . 62.2 109.83 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -55.16 -45.5 75.69 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.82 0.7 . . . . 73.14 110.303 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 49' ' ' THR . 25.1 tttp -66.56 -46.52 75.77 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 114.055 -1.43 . . . . 74.11 110.559 -173.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.425 HG11 HD12 ' A' ' 98' ' ' LEU . 55.3 t -63.09 -47.91 90.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.106 0.879 . . . . 41.1 110.719 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 82.5 mt -65.17 -42.59 93.55 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.707 0.629 . . . . 75.44 110.945 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.44 -32.81 66.61 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.697 0.799 . . . . 71.34 110.72 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.448 ' HA ' ' HE2' ' A' ' 76' ' ' TYR . 78.4 t80 -62.76 -45.67 91.62 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.532 -0.758 . . . . 75.33 110.282 171.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 99.2 m -63.55 -37.25 86.6 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 124.222 0.951 . . . . 62.01 110.577 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.59 ' HA ' HD13 ' A' ' 20' ' ' ILE . 75.3 mtp180 -67.49 -47.91 68.65 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.07 0.548 . . . . 75.2 110.246 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -61.36 -43.16 99.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.811 0.844 . . . . 62.55 111.249 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -73.79 -25.44 60.13 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.629 -0.714 . . . . 74.54 110.095 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -76.77 -31.89 57.34 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.867 0.467 . . . . 75.22 110.1 174.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -82.73 -10.88 58.7 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.561 0.744 . . . . 73.42 111.33 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -130.03 75.31 79.61 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 123.772 0.829 . . . . 73.15 109.359 171.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.43 100.46 1.37 Allowed 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 122.767 2.311 . . . . 75.45 110.35 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.26 -96.08 0.1 Allowed Glycine 0 C--N 1.336 0.582 0 N-CA-C 111.754 -0.538 . . . . 34.41 111.754 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.27 61.3 3.73 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 112.328 -0.309 . . . . 74.45 112.328 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.7 m -138.82 98.11 3.48 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.979 0.512 . . . . 65.1 111.856 -174.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.407 ' N ' ' HB2' ' A' ' 72' ' ' ASP . . . 71.17 -82.76 0.43 Allowed Glycine 0 C--N 1.35 1.311 0 CA-C-N 115.96 -0.564 . . . . 62.33 113.976 173.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.2 mt -75.95 -47.97 23.02 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.442 0.697 . . . . 72.52 110.051 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -95.41 18.5 12.48 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.694 0.798 . . . . 75.24 110.783 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' HB2' ' N ' ' A' ' 69' ' ' GLY . 20.4 t70 -64.65 -47.48 78.32 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.963 0.905 . . . . 74.31 110.924 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.7 mt -115.94 89.35 24.23 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 108.026 -1.101 . . . . 73.12 108.026 170.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.58 152.33 56.25 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.367 2.711 . . . . 51.54 112.619 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -46.75 -52.13 8.04 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.945 3.096 . . . . 75.12 113.537 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.448 ' HE2' ' HA ' ' A' ' 57' ' ' TYR . 81.4 t80 -62.04 -41.63 98.32 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.934 0.493 . . . . 71.55 111.803 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.84 -28.25 68.84 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.977 0.511 . . . . 72.31 110.909 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.34 -39.15 54.74 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.601 0.76 . . . . 63.43 109.388 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -69.51 -22.93 63.55 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 123.781 0.833 . . . . 75.52 111.283 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -65.41 -34.08 77.45 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.442 1.097 . . . . 71.43 110.102 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 63.6 m -80.14 -7.33 58.87 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.096 0.959 . . . . 74.3 111.96 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -79.94 72.92 6.72 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.734 0.814 . . . . 73.32 110.921 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 m -142.72 156.87 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.812 0.845 . . . . 64.23 110.393 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.37 158.83 33.24 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.237 -0.892 . . . . 74.0 109.357 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -51.0 -55.57 26.8 Favored Pre-proline 0 CA--C 1.564 1.49 0 CA-C-O 117.163 -1.399 . . . . 74.34 113.44 -173.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.493 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 72.2 Cg_exo -51.46 -48.21 22.39 Favored 'Trans proline' 0 C--N 1.393 2.875 0 C-N-CA 121.988 1.792 . . . . 72.03 112.025 176.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.5 m -63.02 -33.39 75.32 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.027 0.931 . . . . 73.11 111.781 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 tt -72.33 -43.84 63.52 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.206 1.003 . . . . 64.5 109.626 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -73.45 -26.55 60.98 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.305 0.642 . . . . 71.25 111.007 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 56.5 mm-40 -60.73 -35.08 75.47 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.811 0.444 . . . . 73.33 111.008 169.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.582 HD23 HG23 ' A' ' 50' ' ' ILE . 96.4 mt -68.26 -34.37 76.08 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.236 0.615 . . . . 72.41 111.304 175.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.3 mt -70.54 -42.77 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 123.539 0.736 . . . . 71.54 110.276 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.37 -35.92 82.44 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.87 0.868 . . . . 72.44 110.335 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.96 -33.61 59.79 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.468 0.707 . . . . 41.12 110.908 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.72 70.15 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.732 0.413 . . . . 53.02 110.956 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -79.69 -42.25 25.13 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.81 0.844 . . . . 75.43 110.602 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.17 -40.78 90.75 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.854 0.862 . . . . 74.22 110.944 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.425 HD12 HG11 ' A' ' 54' ' ' VAL . 72.7 mt -90.97 -5.51 55.32 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.52 0.728 . . . . 73.14 110.945 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 5.8 t70 62.32 26.86 16.07 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.365 1.466 . . . . 62.4 111.577 172.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.581 HG12 ' HA ' ' A' ' 24' ' ' SER . 14.3 mt -81.92 89.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.566 0 N-CA-C 108.379 -0.971 . . . . 74.34 108.379 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -58.77 -42.79 96.11 Favored Pre-proline 0 CA--C 1.565 1.545 0 CA-C-O 117.924 -1.036 . . . . 72.03 113.485 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 106' ' ' VAL . 18.2 Cg_endo -59.63 -40.93 60.7 Favored 'Trans proline' 0 C--N 1.388 2.615 0 CA-C-N 121.543 1.587 . . . . 61.2 112.695 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.15 -44.24 84.7 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.145 0.578 . . . . 73.23 110.386 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.43 -45.09 76.79 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.435 1.085 . . . . 71.12 110.076 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.27 -48.85 74.12 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.061 0.944 . . . . 63.42 111.477 -177.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 102' ' ' PRO . 74.0 t -57.02 -48.93 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.343 0.657 . . . . 72.41 110.929 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.6 m -70.41 -31.18 68.27 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.275 0.63 . . . . 42.42 111.824 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 88.7 m -72.72 -29.5 63.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.5 0.72 . . . . 74.15 111.244 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -39.73 63.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.041 0.536 . . . . 70.24 109.696 174.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -59.26 -49.89 76.09 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.528 0.731 . . . . 72.11 111.686 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.5 m -63.14 -37.8 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 122.412 0.285 . . . . 74.54 110.735 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.39 -27.9 68.21 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.548 0.739 . . . . 61.43 111.767 178.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -80.55 -33.49 36.2 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.772 0.829 . . . . 72.42 111.53 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 49.7 mtm -71.23 -39.18 71.86 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.088 0.471 . . . . 75.01 110.704 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' B' ' 86' ' ' PRO . 19.7 pt -89.29 -2.35 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.479 0.712 . . . . 62.44 111.586 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -59.48 98.69 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.398 0.679 . . . . 62.35 111.516 -168.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 CA-C-N 115.323 -0.853 . . . . 55.2 111.349 177.07 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 120.941 0.401 . . . . 64.15 111.337 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 78.8 mt -77.98 128.04 33.28 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.954 -0.567 . . . . 72.44 109.623 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.7 m -89.59 126.95 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-O 121.388 0.613 . . . . 65.24 109.369 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.553 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 61.3 mttp -82.44 110.38 17.51 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.113 0.965 . . . . 72.11 110.52 -176.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.542 HD21 HD13 ' B' ' 27' ' ' ILE . 11.2 mp -106.36 98.67 8.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.484 0.714 . . . . 60.12 109.422 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -79.38 123.63 27.67 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.351 -0.611 . . . . 74.21 109.351 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 64.1 p -82.09 -179.95 7.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.602 0.761 . . . . 63.2 111.389 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -67.65 -20.46 65.32 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.718 0.807 . . . . 72.33 111.644 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.543 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 36.3 t70 -92.14 13.23 19.6 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.177 0.991 . . . . 75.23 110.62 175.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 68.43 11.9 8.52 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 125.022 1.329 . . . . 75.44 113.028 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -90.51 121.84 32.81 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.281 0.632 . . . . 73.2 110.012 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 51.7 t -90.13 118.82 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.825 0.85 . . . . 51.3 109.521 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -111.35 104.87 13.36 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 124.127 0.971 . . . . 64.54 108.386 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.553 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 32.6 mt-10 -84.16 78.99 9.67 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.356 -0.838 . . . . 75.04 109.352 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.438 HD12 ' HB3' ' B' ' 55' ' ' LEU . 6.0 tt -79.71 149.49 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.298 -0.865 . . . . 72.31 109.69 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.31 124.44 18.9 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.083 0.953 . . . . 74.52 109.686 171.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -55.84 -41.55 74.44 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.959 0.904 . . . . 75.21 112.059 -173.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -58.39 -34.4 70.68 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.989 0.915 . . . . 64.12 111.67 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' B' ' 59' ' ' ARG . 50.5 mt -82.31 -34.76 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 115.056 -0.975 . . . . 64.34 110.818 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.37 -17.77 64.32 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.392 0.677 . . . . 64.12 111.74 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' CYS . . . . . 0.478 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 85.9 m -70.44 -23.23 62.68 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.966 0.906 . . . . 64.33 112.828 176.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 19.5 mtm -66.33 -29.96 70.26 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.151 0.501 . . . . 72.54 110.689 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.591 ' HA ' HG12 ' B' ' 100' ' ' ILE . 48.3 t -76.75 114.46 15.54 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.003 -1.11 . . . . 74.14 108.003 168.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.415 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 37.8 t -63.34 -47.48 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 O-C-N 123.837 0.711 . . . . 73.25 110.529 -175.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 89.0 m -62.16 -50.38 72.07 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.335 0.654 . . . . 60.44 112.182 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.542 HD13 HD21 ' B' ' 6' ' ' LEU . 97.5 mt -61.51 -43.5 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.251 0.62 . . . . 74.23 110.239 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.478 ' HB2' ' HA ' ' B' ' 22' ' ' CYS . 22.9 ttpp -59.04 -45.46 90.71 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.488 0.715 . . . . 74.41 110.512 176.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -69.08 -29.9 68.1 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.429 0.692 . . . . 72.25 111.419 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.5 mtt -64.18 -47.02 81.43 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.192 0.597 . . . . 73.02 109.612 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 82.8 mt -63.52 -44.8 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 C-N-CA 123.977 0.911 . . . . 62.42 110.145 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.18 -39.11 89.47 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.563 0.745 . . . . 74.24 111.666 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.7 -43.89 79.01 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.544 0.738 . . . . 74.45 110.442 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.79 -31.72 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.464 0.706 . . . . 65.43 110.218 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.64 18.1 66.75 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.781 -0.645 . . . . 70.41 111.663 -169.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 71.16 141.49 0.05 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.619 1.968 . . . . 74.12 111.245 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 44.5 t -151.18 160.48 43.83 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.67 0.788 . . . . 60.22 109.427 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.57 -11.07 59.82 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.253 0.621 . . . . 74.25 110.67 173.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -65.4 124.09 86.15 Favored Pre-proline 0 CA--C 1.559 1.323 0 C-N-CA 123.544 0.738 . . . . 65.31 110.214 175.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.78 117.67 4.43 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.947 2.431 . . . . 75.04 111.862 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -62.84 110.58 3.6 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 123.938 0.895 . . . . 75.22 109.468 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -91.25 114.7 0.41 Allowed 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.497 2.132 . . . . 73.25 112.072 -178.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mp -96.19 101.47 8.66 Favored Pre-proline 0 CA--C 1.558 1.287 0 N-CA-C 108.761 -0.829 . . . . 75.02 108.761 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -88.05 42.52 0.74 Allowed 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.551 2.834 . . . . 63.42 112.49 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -141.67 -52.68 0.44 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.552 0.741 . . . . 53.22 109.959 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.414 HG11 HD13 ' B' ' 51' ' ' LEU . 12.7 p -89.86 130.68 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 CA-C-N 115.651 -0.704 . . . . 71.43 110.777 -175.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 68.3 p -78.88 175.57 10.39 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.917 0.887 . . . . 52.34 110.987 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.543 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 43.3 p -62.61 -49.19 76.21 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.192 0.597 . . . . 52.41 112.582 -174.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' B' ' 53' ' ' LYS . 56.4 p -65.58 -40.46 92.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.213 0.605 . . . . 74.33 110.986 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.573 HG23 HD23 ' B' ' 91' ' ' LEU . 50.6 mm -74.73 -41.52 47.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 CA-C-N 115.924 -0.58 . . . . 73.24 110.329 -176.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' B' ' 6' ' ' LEU . 46.1 tp -66.87 -44.85 79.87 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.805 -0.443 . . . . 65.31 109.805 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -55.1 -45.25 75.47 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.525 0.73 . . . . 75.32 110.039 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' B' ' 49' ' ' THR . 23.4 tttp -66.46 -46.38 76.57 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.234 -1.348 . . . . 75.14 110.62 -172.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.432 HG11 HD12 ' B' ' 98' ' ' LEU . 54.8 t -63.36 -47.7 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 124.15 0.906 . . . . 65.25 110.699 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' B' ' 59' ' ' ARG . 82.0 mt -65.49 -42.62 91.99 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.598 0.561 . . . . 73.23 110.839 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.94 -32.52 67.41 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.758 0.823 . . . . 63.52 110.437 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' TYR . . . . . 0.45 ' HA ' ' HE2' ' B' ' 76' ' ' TYR . 78.5 t80 -63.65 -45.86 88.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.748 0.819 . . . . 73.31 110.297 171.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.17 -37.65 88.05 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.223 0.952 . . . . 54.23 110.512 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.577 ' HA ' HD13 ' B' ' 20' ' ' ILE . 76.3 mtp180 -66.88 -47.64 71.21 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.042 0.537 . . . . 64.4 110.397 179.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -61.24 -43.77 98.34 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.63 0.772 . . . . 61.42 111.553 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -74.07 -25.06 59.62 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.518 -0.764 . . . . 65.25 109.908 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -76.67 -32.6 58.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.85 0.46 . . . . 41.05 110.111 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 82.3 mm-40 -81.6 -11.9 58.94 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.644 0.778 . . . . 72.33 111.453 177.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -129.04 76.81 78.81 Favored Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 123.978 0.911 . . . . 73.31 109.477 171.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.95 100.13 1.33 Allowed 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 122.886 2.391 . . . . 72.54 111.176 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -169.06 -95.05 0.1 OUTLIER Glycine 0 C--N 1.338 0.677 0 CA-C-N 115.927 -0.578 . . . . 71.22 111.691 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.25 62.98 3.45 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.615 -0.594 . . . . 70.31 111.615 -174.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 50.2 m -138.61 96.73 3.2 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.141 0.576 . . . . 51.41 111.969 -175.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.42 ' N ' ' HB2' ' B' ' 72' ' ' ASP . . . 71.85 -81.92 0.53 Allowed Glycine 0 C--N 1.349 1.255 0 CA-C-N 116.062 -0.517 . . . . 71.24 113.934 172.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 77.3 mt -76.06 -48.08 22.2 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.637 0.775 . . . . 52.34 110.019 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -96.25 18.7 13.19 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.886 0.875 . . . . 63.34 110.701 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ASP . . . . . 0.42 ' HB2' ' N ' ' B' ' 69' ' ' GLY . 21.5 t70 -64.88 -47.54 77.46 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.266 1.027 . . . . 44.44 110.752 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 55.1 mt -115.51 89.61 22.89 Favored Pre-proline 0 CA--C 1.551 0.982 0 N-CA-C 108.084 -1.08 . . . . 74.13 108.084 170.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.5 151.43 61.96 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.415 2.744 . . . . 72.13 112.719 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -45.75 -52.56 6.71 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.911 3.074 . . . . 75.23 113.619 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' TYR . . . . . 0.45 ' HE2' ' HA ' ' B' ' 57' ' ' TYR . 81.6 t80 -61.21 -41.91 97.67 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.178 0.591 . . . . 73.33 111.792 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.96 -28.35 68.84 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.211 0.604 . . . . 75.52 110.821 -177.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -75.91 -39.17 56.84 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.55 0.74 . . . . 74.32 109.48 173.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -70.03 -22.95 63.05 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.796 0.838 . . . . 63.3 111.471 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.8 -34.72 79.03 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.362 1.065 . . . . 75.25 110.019 176.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.9 m -79.17 -8.72 59.22 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.091 -0.959 . . . . 74.41 111.89 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -79.13 74.31 5.69 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.766 0.826 . . . . 65.55 110.886 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 m -143.86 157.67 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.931 0.892 . . . . 71.22 109.954 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -75.13 158.88 32.36 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.955 0.902 . . . . 64.31 109.462 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.401 ' O ' ' HD2' ' B' ' 89' ' ' PHE . 15.7 mm100 -50.78 -54.87 31.91 Favored Pre-proline 0 N--CA 1.489 1.483 0 CA-C-O 117.269 -1.348 . . . . 73.31 113.087 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.684 ' HA ' HD12 ' A' ' 115' ' ' ILE . 72.9 Cg_exo -50.98 -50.04 15.12 Favored 'Trans proline' 0 C--N 1.394 2.971 0 CA-C-N 121.981 1.743 . . . . 64.25 112.518 175.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.0 m -62.06 -33.02 73.62 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 123.972 0.909 . . . . 62.23 111.97 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tt -72.67 -44.16 62.17 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.02 0.928 . . . . 75.32 109.854 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' A' ' 115' ' ' ILE . 97.2 m-85 -74.5 -26.09 59.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.974 -0.557 . . . . 72.24 111.266 177.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 52.9 mm-40 -59.89 -34.74 73.58 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.641 0.376 . . . . 75.5 110.887 169.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.573 HD23 HG23 ' B' ' 50' ' ' ILE . 96.4 mt -68.43 -34.36 75.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.333 0.653 . . . . 50.31 111.43 174.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 54.4 mt -70.7 -42.34 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 C-N-CA 123.63 0.772 . . . . 75.05 110.089 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.46 -36.53 84.18 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.981 0.913 . . . . 75.11 110.469 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.97 -33.39 59.77 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.547 0.739 . . . . 71.12 110.86 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.3 -31.87 70.65 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.783 0.433 . . . . 63.52 111.035 177.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -79.78 -42.43 24.48 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.561 0.744 . . . . 63.41 110.294 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -66.76 -37.69 85.1 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.513 0.725 . . . . 63.43 111.243 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.432 HD12 HG11 ' B' ' 54' ' ' VAL . 74.1 mt -93.23 -3.99 52.73 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.279 0.632 . . . . 73.42 111.017 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.415 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 9.8 t70 60.87 26.13 16.02 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.298 1.439 . . . . 62.13 111.697 173.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.591 HG12 ' HA ' ' B' ' 24' ' ' SER . 14.3 mt -81.36 89.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 108.472 -0.936 . . . . 63.34 108.472 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -58.67 -42.6 95.22 Favored Pre-proline 0 CA--C 1.564 1.489 0 C-N-CA 124.252 1.021 . . . . 73.15 113.497 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' PRO . . . . . 0.424 ' O ' HG23 ' B' ' 106' ' ' VAL . 18.1 Cg_endo -59.6 -40.98 60.54 Favored 'Trans proline' 0 C--N 1.39 2.712 0 CA-C-N 121.641 1.622 . . . . 53.41 112.876 175.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 62.4 tp -66.19 -44.37 84.14 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.105 0.562 . . . . 75.33 110.312 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -54.59 -45.97 73.68 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.388 1.055 . . . . 61.03 110.238 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.46 -47.61 78.41 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.351 1.032 . . . . 63.54 111.315 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 102' ' ' PRO . 72.8 t -57.87 -49.18 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.181 0.593 . . . . 61.1 110.765 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 8.9 m -70.27 -30.76 67.87 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 123.323 0.649 . . . . 71.33 111.926 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.8 -29.44 63.26 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.585 0.754 . . . . 74.54 111.182 176.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -74.19 -40.1 62.74 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.932 0.493 . . . . 54.05 109.711 174.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.2 m -58.96 -49.71 76.83 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 123.458 0.703 . . . . 72.52 111.57 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 30.9 m -63.37 -37.8 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.371 0.268 . . . . 74.21 111.014 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.49 -28.81 68.86 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.563 0.745 . . . . 53.45 111.393 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.29 -34.4 42.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.965 0.906 . . . . 70.35 111.696 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' MET . . . . . 0.403 ' HB2' ' HE2' ' B' ' 114' ' ' MET . 51.4 mtm -70.76 -39.03 73.5 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 121.09 0.471 . . . . 74.0 110.588 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.8 pt -89.14 -1.38 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.683 0.793 . . . . 72.11 111.642 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -60.61 96.76 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.479 0.712 . . . . 71.11 111.593 -170.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 CA-C-N 115.451 -0.795 . . . . 64.41 111.122 176.787 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.473 0.686 0 N-CA-C 110.124 -0.324 . . . . 75.31 110.124 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 mt -73.44 117.41 15.16 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 122.86 0.464 . . . . 73.22 110.465 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.8 m -83.65 126.11 40.15 Favored 'Isoleucine or valine' 0 C--O 1.244 0.816 0 N-CA-C 108.767 -0.827 . . . . 71.35 108.767 170.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HD2' ' HG3' ' A' ' 40' ' ' PRO . 91.3 mttt -90.35 88.58 7.25 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.552 -0.749 . . . . 71.33 109.987 -173.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.4 mt -83.54 94.45 8.05 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.458 -0.792 . . . . 74.51 109.727 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -79.27 133.73 36.65 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.151 -0.685 . . . . 74.1 109.151 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 p -84.75 176.57 8.46 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.739 0.815 . . . . 62.42 111.037 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.6 p -68.93 -22.84 64.12 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.722 0.809 . . . . 62.55 110.98 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -84.76 5.69 27.4 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 124.47 1.108 . . . . 74.32 110.855 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 67.57 20.41 9.69 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.599 1.56 . . . . 74.43 112.954 173.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -88.05 122.35 31.53 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 109.344 -0.613 . . . . 73.51 109.344 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -91.03 105.26 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.181 0.993 . . . . 74.05 109.964 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -93.25 102.18 14.46 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.642 0.777 . . . . 74.43 109.229 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 34.4 mt-10 -82.87 78.6 9.44 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 123.699 0.8 . . . . 72.14 109.597 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.58 HD12 ' HB3' ' A' ' 55' ' ' LEU . 13.8 tt -93.85 150.12 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.133 0.973 . . . . 74.31 109.392 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 138.86 58.63 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.374 0.669 . . . . 64.4 109.955 -178.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.61 -37.74 79.39 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.755 0.659 . . . . 75.14 111.419 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -54.23 -36.97 64.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.793 0.837 . . . . 73.04 111.628 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.0 mt -78.09 -38.81 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.392 -0.822 . . . . 64.23 109.9 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.47 -9.47 58.61 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.035 0.934 . . . . 13.43 112.514 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -70.65 -32.34 69.6 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.054 0.542 . . . . 51.52 110.842 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.5 mtm -63.57 -31.29 72.41 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.338 0.589 . . . . 73.22 110.365 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.429 ' HA ' HG12 ' A' ' 100' ' ' ILE . 33.1 t -76.08 104.85 6.81 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.705 -1.134 . . . . 64.31 108.193 168.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.8 -38.07 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.589 0.556 . . . . 74.12 111.682 -171.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.8 m -64.37 -42.73 96.02 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.384 0.273 . . . . 72.43 111.219 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.418 ' O ' HG13 ' A' ' 31' ' ' ILE . 87.1 mt -67.17 -45.25 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.133 0.573 . . . . 73.3 110.042 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -56.21 -44.59 79.65 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.859 0.864 . . . . 74.4 110.43 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -68.01 -32.51 72.94 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.132 -0.94 . . . . 72.11 111.329 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.1 mtt -68.57 -36.98 79.49 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 123.77 0.669 . . . . 73.24 110.683 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 27' ' ' ILE . 83.7 mt -64.18 -46.2 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.19 -0.67 . . . . 70.44 109.19 176.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.66 -32.23 71.92 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.847 0.859 . . . . 64.2 111.568 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.59 -43.86 79.52 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.567 1.147 . . . . 62.43 110.747 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -80.03 -20.88 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 124.387 1.075 . . . . 74.23 110.205 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.86 -46.7 1.37 Allowed Glycine 0 C--N 1.346 1.118 0 N-CA-C 110.049 -1.221 . . . . 64.51 110.049 -172.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -162.19 108.67 1.29 Allowed 'General case' 0 C--O 1.244 0.815 0 C-N-CA 124.885 1.274 . . . . 74.05 107.914 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.0 m -75.64 80.27 2.62 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.637 0.732 . . . . 63.12 109.821 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.89 -35.98 57.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 114.808 -1.087 . . . . 60.15 109.61 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 p -78.47 149.52 75.33 Favored Pre-proline 0 CA--C 1.555 1.154 0 CA-C-N 115.131 -0.941 . . . . 55.52 111.003 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.494 ' HG3' ' HD2' ' A' ' 5' ' ' LYS . 52.5 Cg_exo -57.45 130.3 38.38 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 123.163 2.576 . . . . 74.35 112.238 175.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mm -91.46 109.05 33.46 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 123.307 0.643 . . . . 71.01 109.346 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.96 129.83 10.9 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.675 2.25 . . . . 52.22 110.551 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.2 mt -114.63 93.35 32.57 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 108.067 -1.086 . . . . 62.13 108.067 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -82.33 35.57 0.58 Allowed 'Trans proline' 0 C--N 1.381 2.238 0 C-N-CA 123.493 2.795 . . . . 73.15 112.748 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -133.38 -66.44 0.65 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.308 1.043 . . . . 74.42 108.872 -174.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -79.78 126.47 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-N 115.625 -0.716 . . . . 74.31 110.28 -175.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.3 p -73.54 169.48 17.15 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.518 0.727 . . . . 72.11 111.034 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -62.11 -45.17 94.67 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.543 0.737 . . . . 71.21 111.694 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 35.8 p -57.03 -51.15 70.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 124.4 1.063 . . . . 73.03 111.236 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.55 HG23 HD23 ' A' ' 91' ' ' LEU . 51.5 mm -73.18 -42.7 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 115.996 -0.547 . . . . 72.55 110.725 -175.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 tp -62.55 -35.37 79.23 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.15 0.58 . . . . 75.45 110.56 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.44 -47.11 87.21 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.36 0.664 . . . . 62.21 110.102 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HE2' HG11 ' A' ' 83' ' ' VAL . 27.5 mtpp -64.68 -45.59 86.01 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.25 0.968 . . . . 62.41 111.643 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -63.6 -46.01 96.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.336 -0.847 . . . . 71.31 110.295 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.58 ' HB3' HD12 ' A' ' 16' ' ' ILE . 71.2 mt -72.95 -30.79 64.13 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.909 -0.587 . . . . 71.31 111.527 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.17 -36.83 69.38 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.277 0.631 . . . . 73.15 110.279 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -69.74 -32.49 71.06 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.046 -0.524 . . . . 62.52 109.923 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 90.6 m -68.51 -35.11 77.02 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.951 -0.568 . . . . 40.21 110.613 173.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 64.1 mtm180 -68.53 -34.75 76.41 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.942 0.497 . . . . 73.34 110.213 173.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -58.51 -50.42 73.82 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 124.102 0.876 . . . . 62.01 109.593 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.55 -24.37 61.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.163 0.585 . . . . 74.34 111.503 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -73.3 -48.67 32.65 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.248 0.547 . . . . 74.34 111.057 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -96.54 -19.24 19.23 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.789 -1.096 . . . . 72.3 110.846 -169.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -131.83 81.52 62.81 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 107.498 -1.297 . . . . 70.01 107.498 170.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -56.11 -67.58 0.07 OUTLIER 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.9 2.4 . . . . 73.53 112.525 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.9 -40.84 2.68 Favored Glycine 0 C--N 1.356 1.657 0 C-N-CA 123.171 0.415 . . . . 62.34 113.119 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.92 -71.23 3.05 Favored Glycine 0 C--N 1.351 1.407 0 N-CA-C 110.292 -1.123 . . . . 52.41 110.292 -172.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.6 m -149.63 98.62 2.78 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.143 0.977 . . . . 60.24 108.78 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.34 53.87 4.7 Favored Glycine 0 C--N 1.351 1.414 0 N-CA-C 111.517 -0.633 . . . . 23.15 111.517 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -67.12 -26.72 66.83 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.167 1.387 . . . . 72.25 112.52 -172.402 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -132.49 66.18 1.56 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.831 -0.803 . . . . 70.03 108.831 173.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.431 ' H ' HD12 ' A' ' 73' ' ' ILE . 27.2 t70 -155.86 -74.71 0.1 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.328 -0.851 . . . . 75.34 108.895 174.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.431 HD12 ' H ' ' A' ' 72' ' ' ASP . 3.7 mp 51.46 89.29 0.1 Allowed Pre-proline 0 CA--C 1.562 1.407 0 C-N-CA 124.931 1.292 . . . . 71.03 110.834 -175.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.7 158.0 25.75 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 123.133 2.555 . . . . 70.13 112.919 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -45.12 -49.95 9.41 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 124.206 3.271 . . . . 72.33 113.961 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.63 -40.22 68.73 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.498 0.719 . . . . 74.35 111.795 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.57 -35.64 75.55 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.773 0.67 . . . . 72.51 111.126 -175.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -62.67 -53.36 55.59 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.513 0.508 . . . . 60.11 109.804 170.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -62.03 -31.17 71.53 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.841 0.856 . . . . 72.13 111.93 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.03 -42.44 89.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.149 0.979 . . . . 74.23 109.733 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 67.1 m -75.63 -26.67 57.95 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.886 -1.052 . . . . 53.02 111.275 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -81.52 74.65 8.51 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.266 0.626 . . . . 64.24 109.708 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.594 HG11 ' HE2' ' A' ' 53' ' ' LYS . 31.2 m -125.79 169.09 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.625 1.17 . . . . 52.14 109.002 175.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -67.86 160.56 28.15 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.565 0.746 . . . . 74.54 111.087 -173.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -54.19 -51.58 76.29 Favored Pre-proline 0 CA--C 1.567 1.621 0 C-N-CA 124.281 1.032 . . . . 72.21 113.3 -173.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.444 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 38.2 Cg_endo -64.81 -35.33 45.72 Favored 'Trans proline' 0 C--N 1.39 2.751 0 C-N-CA 121.733 1.622 . . . . 73.45 112.259 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.9 m -61.88 -32.73 73.12 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.14 0.976 . . . . 65.35 111.883 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.63 -48.69 78.73 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.113 0.965 . . . . 74.31 110.552 173.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -69.16 -30.45 68.68 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.748 -0.66 . . . . 75.24 111.537 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 12.8 mm-40 -63.51 -39.6 94.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.965 0.506 . . . . 73.33 110.65 175.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.55 HD23 HG23 ' A' ' 50' ' ' ILE . 96.3 mt -69.02 -34.86 75.93 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.456 -0.793 . . . . 74.31 110.853 175.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 82.0 mt -66.83 -44.53 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.581 0.752 . . . . 74.14 110.265 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.54 -41.02 89.33 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.736 0.814 . . . . 74.24 110.712 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.93 -38.06 72.89 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.679 0.791 . . . . 63.24 111.601 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.483 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.2 -28.69 63.35 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.276 0.63 . . . . 52.42 111.653 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -78.86 -38.46 37.78 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.896 0.478 . . . . 74.54 109.756 173.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -64.37 -43.82 93.29 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.786 0.835 . . . . 65.1 111.815 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.2 -8.78 35.21 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.777 0.831 . . . . 64.15 111.69 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.8 t0 50.16 68.94 0.67 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.73 1.212 . . . . 72.11 110.968 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.429 HG12 ' HA ' ' A' ' 24' ' ' SER . 30.4 mt -117.99 92.71 2.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 107.092 -1.447 . . . . 73.13 107.092 172.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.94 -35.89 14.46 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 118.219 -0.896 . . . . 74.2 113.042 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -50.76 -33.5 40.75 Favored 'Trans proline' 0 C--N 1.397 3.114 0 C-N-CA 122.255 1.97 . . . . 64.13 113.768 166.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -80.28 -50.9 9.57 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 109.287 -0.635 . . . . 74.32 109.287 176.867 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.9 -51.52 69.33 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.554 1.142 . . . . 40.32 111.721 -170.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.72 -39.29 93.4 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 124.591 1.182 . . . . 74.14 111.611 -173.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.51 -45.19 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.51 0.724 . . . . 75.52 110.762 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.7 m -69.05 -31.06 69.56 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 122.832 0.453 . . . . 73.4 110.943 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 85.2 m -70.28 -33.43 71.56 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.631 0.772 . . . . 72.23 110.729 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -69.94 -39.73 75.91 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.069 0.548 . . . . 72.23 110.133 174.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.8 m -61.12 -52.9 62.94 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.829 0.706 . . . . 60.24 111.154 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -67.03 -32.63 58.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.626 -0.715 . . . . 75.44 111.189 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.62 86.9 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.206 0.602 . . . . 63.04 110.824 175.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -67.78 -25.69 65.73 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.561 0.744 . . . . 65.4 111.759 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 38.9 mtm -69.88 -48.69 57.77 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.899 0.381 . . . . 65.5 110.634 176.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 43.9 pt -85.14 -4.89 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-N 115.606 -0.724 . . . . 73.22 112.235 -177.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -63.41 96.2 0.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.963 1.305 . . . . 74.44 111.112 -176.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 CA-C-O 118.59 -1.117 . . . . 65.11 110.718 173.521 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 110.429 -0.211 . . . . 73.02 110.429 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -75.95 116.91 17.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.81 0.444 . . . . 75.22 110.378 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -82.57 126.1 39.98 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 N-CA-C 108.76 -0.83 . . . . 73.05 108.76 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.47 ' HD2' ' HG3' ' B' ' 40' ' ' PRO . 91.2 mttt -90.91 87.71 6.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.452 -0.794 . . . . 72.52 109.785 -172.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.15 94.61 7.88 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.176 -0.92 . . . . 72.14 109.577 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -79.21 133.92 36.68 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.097 -0.705 . . . . 74.34 109.097 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.0 p -85.67 175.99 8.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.786 0.835 . . . . 65.31 111.014 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.9 p -68.12 -23.13 64.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.699 0.799 . . . . 55.25 110.935 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -84.24 5.24 27.37 Favored 'General case' 0 CA--C 1.563 1.463 0 C-N-CA 124.395 1.078 . . . . 73.24 110.693 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 68.43 19.9 8.7 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.793 1.637 . . . . 73.21 112.885 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -88.32 121.85 31.17 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 109.474 -0.565 . . . . 72.33 109.474 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.7 t -90.41 107.15 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.21 1.004 . . . . 73.44 109.524 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.37 102.29 14.09 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 123.878 0.871 . . . . 65.45 109.133 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -83.02 77.54 9.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.753 0.821 . . . . 71.1 109.344 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' B' ' 55' ' ' LEU . 13.3 tt -92.91 151.17 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.629 0.772 . . . . 73.11 109.462 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.16 138.42 58.26 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.738 0.815 . . . . 63.34 109.754 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.424 ' HE3' HG21 ' B' ' 31' ' ' ILE . 81.0 tttt -59.09 -37.94 78.34 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.302 0.641 . . . . 72.15 111.259 -177.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.92 -35.95 64.71 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.997 0.919 . . . . 74.41 111.795 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 mt -78.87 -38.43 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 115.276 -0.874 . . . . 65.1 109.748 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.64 -9.47 58.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.026 0.93 . . . . 62.5 112.527 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.8 m -70.65 -31.75 68.79 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.075 0.55 . . . . 51.22 110.846 172.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 33.5 mtm -64.06 -31.22 72.33 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 121.248 0.547 . . . . 64.24 110.346 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.432 ' HA ' HG12 ' B' ' 100' ' ' ILE . 33.4 t -76.63 105.5 7.73 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.096 -1.076 . . . . 63.52 108.096 169.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 63.2 t -67.37 -37.8 79.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 123.112 0.565 . . . . 63.42 111.604 -171.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.6 m -64.07 -43.41 95.54 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 122.515 0.326 . . . . 72.21 111.134 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.409 ' O ' HG13 ' B' ' 31' ' ' ILE . 86.2 mt -66.82 -45.01 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.166 0.586 . . . . 75.12 110.159 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -56.66 -44.71 81.65 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.716 0.806 . . . . 72.12 110.4 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -67.57 -32.64 73.53 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.221 -0.9 . . . . 72.11 111.222 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.7 mtt -68.05 -37.43 81.32 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.037 0.535 . . . . 74.42 110.712 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.424 HG21 ' HE3' ' B' ' 18' ' ' LYS . 83.1 mt -64.24 -45.6 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 109.386 -0.598 . . . . 64.52 109.386 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -69.54 -31.2 69.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.692 0.797 . . . . 74.41 111.535 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.53 -44.33 74.82 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.145 0.978 . . . . 61.22 110.592 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 72.5 mt -78.39 -24.08 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 124.537 1.135 . . . . 63.35 110.011 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.19 -43.02 1.77 Allowed Glycine 0 C--N 1.348 1.207 0 N-CA-C 110.394 -1.082 . . . . 62.03 110.394 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -165.07 108.97 0.87 Allowed 'General case' 0 C--O 1.24 0.569 0 C-N-CA 125.2 1.4 . . . . 61.42 107.761 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.425 ' HB3' HD11 ' B' ' 41' ' ' ILE . 50.8 m -75.98 80.24 2.85 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 121.24 0.543 . . . . 60.44 110.226 174.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -76.74 -37.28 56.25 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.074 -0.966 . . . . 75.42 109.581 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -76.6 149.02 80.63 Favored Pre-proline 0 CA--C 1.553 1.091 0 CA-C-N 115.031 -0.986 . . . . 65.33 110.928 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.47 ' HG3' ' HD2' ' B' ' 5' ' ' LYS . 52.0 Cg_exo -56.31 131.49 46.12 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.074 2.516 . . . . 74.35 112.445 175.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' B' ' 37' ' ' SER . 49.4 mm -92.25 107.9 26.78 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 123.297 0.639 . . . . 71.32 109.529 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.03 129.46 11.46 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.659 2.239 . . . . 54.45 110.601 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.9 mt -114.77 93.47 33.72 Favored Pre-proline 0 CA--C 1.549 0.928 0 N-CA-C 108.193 -1.04 . . . . 61.02 108.193 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.04 34.12 0.54 Allowed 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.722 2.948 . . . . 74.11 112.974 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -132.52 -65.2 0.73 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.295 1.038 . . . . 70.41 109.198 -174.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.5 126.36 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 115.549 -0.75 . . . . 71.25 110.24 -175.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 39.2 p -73.37 169.84 16.31 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.599 0.76 . . . . 74.11 110.888 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 59.8 p -61.68 -46.54 89.27 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.429 0.691 . . . . 71.22 111.489 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.418 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 33.9 p -56.85 -50.04 73.65 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 124.621 1.201 . . . . 73.43 111.248 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.536 HG23 HD23 ' B' ' 91' ' ' LEU . 51.0 mm -73.4 -42.89 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.016 -0.538 . . . . 74.4 110.709 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -62.65 -34.85 77.9 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.095 0.558 . . . . 74.14 110.624 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.62 -47.16 86.67 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.524 0.73 . . . . 74.44 109.895 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.579 ' HE2' HG11 ' B' ' 83' ' ' VAL . 27.8 mtpp -65.52 -45.18 84.5 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 124.3 1.0 . . . . 61.41 111.332 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.7 t -63.63 -46.09 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 O-C-N 123.996 0.81 . . . . 73.41 110.352 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.561 ' HB3' HD12 ' B' ' 16' ' ' ILE . 69.7 mt -72.7 -31.04 64.72 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.206 0.602 . . . . 64.44 111.281 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -71.53 -37.92 71.11 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.584 0.754 . . . . 70.43 110.432 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.83 -32.72 72.62 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.093 -0.503 . . . . 74.33 110.068 174.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 92.3 m -68.26 -35.36 77.77 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.817 -0.629 . . . . 64.23 110.71 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 63.2 mtm180 -68.38 -34.98 77.02 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.096 0.558 . . . . 73.45 110.202 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -58.77 -50.22 74.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.791 0.837 . . . . 73.53 109.383 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -71.68 -26.49 62.54 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 123.895 0.747 . . . . 74.53 111.299 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -71.6 -49.32 41.45 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.21 0.604 . . . . 73.42 110.965 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -95.16 -19.6 19.94 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.048 -0.978 . . . . 51.34 110.878 -169.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -132.27 80.62 63.13 Favored Pre-proline 0 CA--C 1.551 0.981 0 N-CA-C 107.43 -1.322 . . . . 71.13 107.43 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -54.83 -66.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 123.059 2.506 . . . . 64.41 112.852 -177.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.78 -39.88 2.42 Favored Glycine 0 C--N 1.355 1.594 0 O-C-N 123.373 0.421 . . . . 45.32 113.424 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.91 -70.08 3.12 Favored Glycine 0 C--N 1.35 1.321 0 N-CA-C 110.259 -1.136 . . . . 74.43 110.259 -173.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 70.6 m -148.39 101.24 3.22 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.321 1.048 . . . . 43.03 109.058 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.71 52.92 4.8 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 111.51 -0.636 . . . . 62.45 111.51 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.63 -27.52 67.76 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.192 1.397 . . . . 71.5 112.659 -171.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.6 65.52 1.58 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.671 -0.863 . . . . 64.14 108.671 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -155.91 -73.37 0.11 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.477 -0.783 . . . . 74.24 109.054 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.6 mp 50.24 89.49 0.1 OUTLIER Pre-proline 0 CA--C 1.564 1.485 0 C-N-CA 124.993 1.317 . . . . 71.21 110.858 -175.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -58.49 158.53 22.9 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 123.268 2.646 . . . . 73.24 113.056 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -45.8 -50.07 10.09 Favored 'Trans proline' 0 C--N 1.391 2.801 0 C-N-CA 123.836 3.024 . . . . 75.33 113.782 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -53.99 -41.04 67.48 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 123.918 0.761 . . . . 73.13 112.084 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.76 -35.92 77.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.298 0.639 . . . . 74.32 111.171 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.42 -53.52 53.74 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.597 0.561 . . . . 74.1 109.998 171.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -62.1 -31.01 71.41 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 123.939 0.774 . . . . 74.02 112.18 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -66.31 -42.12 88.73 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.01 0.924 . . . . 74.5 109.918 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 66.9 m -75.45 -27.08 58.77 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.905 -1.043 . . . . 65.01 111.207 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -81.38 75.67 8.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.185 0.594 . . . . 61.41 109.784 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.579 HG11 ' HE2' ' B' ' 53' ' ' LYS . 31.3 m -126.55 170.36 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.494 1.118 . . . . 62.11 109.144 175.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -68.72 159.99 31.19 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.172 0.589 . . . . 64.43 110.893 -174.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -53.74 -51.6 75.07 Favored Pre-proline 0 CA--C 1.564 1.496 0 C-N-CA 124.434 1.094 . . . . 65.31 113.377 -173.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.43 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 39.1 Cg_endo -64.52 -35.62 47.56 Favored 'Trans proline' 0 C--N 1.39 2.719 0 C-N-CA 121.523 1.482 . . . . 63.41 112.251 175.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 9.8 m -62.5 -32.36 73.26 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 124.079 0.951 . . . . 62.25 111.863 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 64.3 mt -57.4 -48.72 78.35 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.128 0.971 . . . . 51.13 110.532 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -69.05 -30.76 69.17 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.74 -0.664 . . . . 71.2 111.677 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 21.2 mm-40 -63.6 -39.51 94.55 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.132 0.573 . . . . 74.53 110.78 175.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.536 HD23 HG23 ' B' ' 50' ' ' ILE . 96.3 mt -68.91 -34.96 76.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.579 0.752 . . . . 71.44 110.605 175.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 82.0 mt -66.8 -44.51 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.662 0.785 . . . . 64.41 110.224 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.27 -41.72 89.48 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.825 0.85 . . . . 64.32 110.659 -178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.49 -38.0 74.3 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.732 0.813 . . . . 65.24 111.569 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.487 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -72.21 -28.58 63.27 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.421 0.688 . . . . 71.22 111.797 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -79.0 -38.3 37.04 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.036 0.534 . . . . 74.32 110.028 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.68 -42.31 91.44 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.409 1.083 . . . . 71.12 111.735 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 97.2 mt -96.35 -9.37 30.2 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.514 0.726 . . . . 74.33 111.605 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 38.9 t0 51.31 68.18 0.83 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.9 1.28 . . . . 73.23 111.242 -174.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.432 HG12 ' HA ' ' B' ' 24' ' ' SER . 30.9 mt -117.96 92.23 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 106.958 -1.497 . . . . 72.24 106.958 173.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.34 -36.46 19.11 Favored Pre-proline 0 CA--C 1.561 1.386 0 C-N-CA 124.103 0.961 . . . . 73.14 113.013 177.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -50.45 -33.51 38.31 Favored 'Trans proline' 0 C--N 1.398 3.158 0 C-N-CA 122.324 2.016 . . . . 75.41 113.993 166.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' B' ' 95' ' ' ALA . 0.8 OUTLIER -80.39 -50.91 9.48 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.231 -0.655 . . . . 72.44 109.231 177.005 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.39 -51.94 67.76 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.591 1.156 . . . . 65.32 111.828 -171.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.07 -38.69 91.6 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 124.415 1.072 . . . . 61.23 111.451 -173.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.79 -45.33 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.504 0.722 . . . . 65.53 110.546 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.7 m -69.01 -31.03 69.56 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.968 0.507 . . . . 63.34 110.953 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.25 -33.23 71.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.639 0.776 . . . . 74.45 110.642 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -70.7 -38.79 73.7 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.905 0.482 . . . . 61.31 110.244 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 28.8 m -61.77 -52.86 62.5 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.869 0.73 . . . . 60.24 111.131 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.79 -32.54 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.675 -0.693 . . . . 74.35 111.248 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.5 85.83 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 123.225 0.61 . . . . 72.11 110.662 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -66.66 -25.86 66.77 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.56 0.744 . . . . 52.41 111.78 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 41.7 mtm -70.02 -48.75 56.76 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 120.958 0.408 . . . . 72.12 110.481 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.0 pt -85.52 -3.81 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 115.683 -0.689 . . . . 73.15 111.827 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -63.02 97.62 0.11 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.74 1.216 . . . . 61.24 110.979 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 CA-C-O 118.659 -1.078 . . . . 65.12 111.82 174.87 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.551 0.215 . . . . 43.32 110.771 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.4 mt -78.92 132.46 36.75 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.1 0.56 . . . . 74.5 111.021 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.6 m -103.86 143.81 15.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 N-CA-C 108.474 -0.936 . . . . 75.2 108.474 164.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 90.5 mttt -94.75 121.67 36.57 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 109.543 -0.54 . . . . 64.11 109.543 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 mt -116.15 91.09 3.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.716 0.806 . . . . 71.41 109.237 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.58 ' HG3' HG22 ' A' ' 13' ' ' VAL . 2.3 mp0 -74.85 119.17 18.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.622 -0.51 . . . . 73.12 109.622 176.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.2 p -66.32 178.7 1.13 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.832 0.453 . . . . 75.11 110.986 170.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -62.79 -29.34 70.64 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.925 0.49 . . . . 72.33 110.491 173.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -83.8 8.67 14.03 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.163 0.985 . . . . 61.44 111.179 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 70.74 7.13 6.11 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.245 1.418 . . . . 71.44 113.295 172.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -71.46 121.52 18.78 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.33 -0.619 . . . . 53.01 109.33 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.58 HG22 ' HG3' ' A' ' 7' ' ' GLU . 34.7 t -86.86 96.39 5.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 C-N-CA 124.394 1.077 . . . . 75.41 109.489 -173.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -82.39 87.5 6.61 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.503 0.721 . . . . 74.13 109.773 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.504 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 34.6 mt-10 -78.08 88.94 4.19 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.941 -1.027 . . . . 74.11 109.061 176.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 tt -119.9 156.03 22.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.07 0.948 . . . . 75.4 108.729 -173.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.96 139.2 56.97 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.969 0.507 . . . . 64.42 110.725 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -58.63 -31.91 68.54 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 124.08 0.862 . . . . 74.3 110.738 -178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.09 -40.73 90.58 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.738 0.815 . . . . 72.33 111.753 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.551 HD13 ' HA ' ' A' ' 59' ' ' ARG . 24.6 mt -76.19 -34.71 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 115.516 -0.765 . . . . 63.34 109.975 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.496 ' HB1' HG21 ' A' ' 27' ' ' ILE . . . -67.86 -28.96 67.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.716 -0.675 . . . . 43.24 111.438 174.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.1 m -75.84 -23.15 55.71 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.371 0.668 . . . . 63.13 111.449 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.8 mtp -62.45 -25.38 67.94 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 122.909 0.484 . . . . 64.54 110.416 171.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.415 ' HA ' HG12 ' A' ' 100' ' ' ILE . 48.8 m -76.73 115.26 16.34 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.275 -1.009 . . . . 75.2 108.275 161.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.79 -31.84 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.313 0.645 . . . . 64.13 110.414 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.8 m -68.0 -47.13 69.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.96 0.504 . . . . 74.44 111.172 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.496 HG21 ' HB1' ' A' ' 21' ' ' ALA . 1.7 mp -72.49 -34.96 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.245 -0.65 . . . . 60.32 109.245 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -56.11 -51.5 67.67 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.462 0.705 . . . . 71.24 110.192 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -61.68 -39.46 91.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 115.168 -0.924 . . . . 74.34 111.043 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.52 ' O ' HG12 ' A' ' 34' ' ' ILE . 60.2 mtt -60.25 -55.6 31.8 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.06 0.544 . . . . 54.12 110.418 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.9 -48.37 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.528 0.731 . . . . 73.31 110.526 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.36 -36.14 73.98 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.739 0.416 . . . . 74.13 111.984 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -67.67 -37.85 82.92 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 123.519 0.728 . . . . 71.5 110.987 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 30' ' ' MET . 48.0 mm -72.98 -39.42 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 115.791 -0.64 . . . . 71.13 109.39 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.28 23.24 8.15 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 115.717 -0.674 . . . . 53.52 112.691 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 72.28 126.32 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.063 1.745 . . . . 74.15 110.674 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.9 m -144.09 159.29 42.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.688 0.756 . . . . 71.45 111.374 -175.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.91 -12.76 60.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.12 -1.4 . . . . 73.13 110.831 175.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m -63.45 131.79 94.94 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.048 0.939 . . . . 74.24 110.816 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 44.6 Cg_endo -68.56 160.23 50.19 Favored 'Trans proline' 0 C--N 1.373 1.86 0 C-N-CA 122.595 2.197 . . . . 74.11 111.54 171.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.0 mm -107.94 95.87 16.06 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 108.931 -0.766 . . . . 73.51 108.931 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -78.89 131.08 9.88 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.016 1.811 . . . . 72.02 111.262 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 mt -108.93 87.79 4.91 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.872 1.269 . . . . 54.35 108.74 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.83 -5.95 14.91 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 123.131 2.554 . . . . 74.32 113.571 -171.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.7 -41.66 20.99 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.37 0.668 . . . . 74.2 110.567 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -101.81 136.65 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 123.234 0.614 . . . . 62.5 110.445 -173.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.8 p -80.1 171.91 14.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.447 0.699 . . . . 75.33 110.732 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.0 p -64.69 -47.59 77.81 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.624 0.77 . . . . 64.2 111.966 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.2 p -61.02 -36.57 79.87 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.292 1.037 . . . . 71.4 112.324 -176.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.532 HG23 HD23 ' A' ' 91' ' ' LEU . 42.4 mm -81.05 -47.18 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 115.845 -0.616 . . . . 64.51 109.899 -178.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.1 -30.45 71.61 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.832 0.853 . . . . 74.32 111.042 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.18 -51.26 68.53 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 123.478 0.711 . . . . 63.54 110.794 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.505 ' HD2' HD21 ' A' ' 91' ' ' LEU . 36.3 mttm -63.83 -41.88 97.76 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 123.986 0.804 . . . . 54.11 110.549 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.654 HG13 ' HG ' ' A' ' 103' ' ' LEU . 75.5 t -60.83 -51.07 77.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 114.728 -1.124 . . . . 44.42 110.348 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.3 mt -72.42 -28.71 63.14 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.779 -0.646 . . . . 62.14 111.772 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.88 -51.37 48.9 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.963 0.905 . . . . 75.33 110.668 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -59.57 -48.53 81.29 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.74 -0.664 . . . . 73.13 110.413 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.679 ' SG ' HG21 ' A' ' 100' ' ' ILE . 78.7 m -65.18 -31.88 73.28 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.056 0.848 . . . . 73.55 111.731 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.551 ' HA ' HD13 ' A' ' 20' ' ' ILE . 55.8 ttp180 -64.22 -51.35 64.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.464 0.705 . . . . 54.22 110.204 175.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -63.82 -34.62 78.33 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.888 0.875 . . . . 75.23 111.405 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -76.34 -19.02 58.61 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.305 0.642 . . . . 71.42 110.007 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -82.81 -30.67 28.64 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.926 0.491 . . . . 70.11 110.136 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 24.8 mm-40 -70.32 -35.43 73.64 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.588 -0.523 . . . . 64.21 109.588 176.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -127.02 82.02 68.86 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 108.329 -0.989 . . . . 74.12 108.329 175.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.05 -23.2 40.43 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.782 2.321 . . . . 74.32 113.542 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.24 -137.04 2.22 Favored Glycine 0 C--N 1.343 0.919 0 N-CA-C 111.893 -0.483 . . . . 65.04 111.893 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.41 -66.75 3.62 Favored Glycine 0 C--N 1.351 1.416 0 C-N-CA 122.943 0.306 . . . . 55.1 112.402 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.1 m -139.36 -176.36 4.5 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.295 1.038 . . . . 63.53 109.351 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.89 -26.72 23.37 Favored Glycine 0 C--N 1.343 0.938 0 CA-C-N 116.391 -0.368 . . . . 64.54 112.807 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.68 -44.73 80.99 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.422 0.689 . . . . 72.14 110.793 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -91.22 -37.48 13.3 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.364 0.666 . . . . 74.31 110.53 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.98 -37.59 87.99 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.278 1.031 . . . . 72.35 111.586 -174.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.4 mm 57.25 93.36 0.05 OUTLIER Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.967 1.307 . . . . 64.31 110.01 -173.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.79 127.29 18.37 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 122.275 1.983 . . . . 75.34 111.34 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -50.93 -26.54 18.52 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.434 2.756 . . . . 72.33 113.114 172.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -53.19 -49.27 67.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.211 1.404 . . . . 75.01 111.906 175.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.26 -39.01 93.4 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.207 1.003 . . . . 74.32 111.163 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -72.83 -33.6 66.27 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.074 -0.967 . . . . 64.11 110.418 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 60.5 m-20 -79.5 -22.58 43.82 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.464 -0.789 . . . . 73.53 111.615 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.57 -33.42 75.88 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.311 0.645 . . . . 71.54 109.827 170.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.1 m -70.88 -11.48 60.99 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.138 -0.937 . . . . 72.32 112.505 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 32.1 mmtp -82.17 74.01 9.18 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.518 -0.549 . . . . 74.11 109.518 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.415 HG11 HD11 ' A' ' 91' ' ' LEU . 24.5 m -131.71 171.51 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.754 1.222 . . . . 72.11 108.561 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.67 156.78 38.43 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.04 -0.356 . . . . 72.44 110.04 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.462 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 0.6 OUTLIER -55.76 -51.79 77.49 Favored Pre-proline 0 CA--C 1.568 1.659 0 C-N-CA 124.099 0.96 . . . . 75.43 111.058 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 22.3 Cg_exo -68.51 -39.85 8.74 Favored 'Trans proline' 0 C--N 1.387 2.594 0 C-N-CA 121.649 1.566 . . . . 61.4 112.405 176.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.6 m -57.36 -32.05 66.38 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.336 1.054 . . . . 74.02 111.763 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.91 -46.54 89.03 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.979 1.312 . . . . 55.33 109.526 177.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.43 ' HD1' HD12 ' A' ' 92' ' ' ILE . 28.7 m-85 -73.18 -30.63 63.68 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.594 -0.73 . . . . 72.01 111.643 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -60.77 -35.77 77.28 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.456 0.473 . . . . 72.21 110.708 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.532 HD23 HG23 ' A' ' 50' ' ' ILE . 96.0 mt -68.69 -34.36 75.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.54 0.736 . . . . 63.41 111.323 176.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.43 HD12 ' HD1' ' A' ' 89' ' ' PHE . 43.7 mt -69.9 -41.49 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 123.171 0.588 . . . . 65.13 110.137 175.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.26 -38.98 92.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.828 0.851 . . . . 71.4 110.498 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.84 -34.52 64.56 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.731 0.812 . . . . 63.32 110.935 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -70.21 -29.79 66.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.404 0.682 . . . . 75.53 111.46 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -79.89 -42.06 24.93 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.802 0.841 . . . . 72.45 110.004 173.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -63.22 -36.14 82.65 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.848 0.859 . . . . 74.42 111.58 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.562 HD12 HG11 ' A' ' 54' ' ' VAL . 60.3 mt -95.61 -19.54 19.68 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.087 0.555 . . . . 74.43 110.572 177.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.6 t0 50.38 68.37 0.77 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.402 1.481 . . . . 70.54 111.932 -174.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.679 HG21 ' SG ' ' A' ' 58' ' ' CYS . 25.8 mt -104.46 114.89 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 107.494 -1.299 . . . . 71.31 107.494 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -63.41 -48.75 81.3 Favored Pre-proline 0 CA--C 1.563 1.457 0 CA-C-O 118.603 -0.713 . . . . 74.31 112.743 -171.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.03 -44.02 26.86 Favored 'Trans proline' 0 C--N 1.392 2.833 0 C-N-CA 121.874 1.716 . . . . 62.12 113.21 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.654 ' HG ' HG13 ' A' ' 54' ' ' VAL . 1.6 tm? -63.96 -51.04 66.23 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.347 0.659 . . . . 64.43 109.668 -175.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.85 -44.64 91.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 114.994 -1.003 . . . . 72.32 110.769 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 23.9 t70 -65.01 -51.23 62.79 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.365 -0.834 . . . . 53.41 110.903 -175.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.82 -46.18 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.627 0.771 . . . . 64.44 111.397 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 13.2 m -72.16 -32.47 66.9 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.204 0.602 . . . . 71.51 111.945 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 98.3 m -70.93 -39.35 72.7 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.804 0.442 . . . . 65.21 110.185 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 105' ' ' ASP . 1.5 mptm? -67.25 -30.38 70.26 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.586 0.755 . . . . 73.11 110.872 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.2 m -57.35 -45.76 84.03 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.013 0.525 . . . . 74.04 110.543 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.0 t -71.42 -40.88 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.301 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.27 -30.33 71.05 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.224 -0.898 . . . . 73.53 111.353 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -70.89 -34.52 71.67 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.67 0.788 . . . . 71.41 110.907 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 42.2 mtm -69.86 -33.51 72.35 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.737 0.415 . . . . 63.41 111.095 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.4 pt -99.87 -2.71 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.962 0.505 . . . . 72.51 112.043 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -57.73 -54.96 41.03 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.056 0.942 . . . . 75.32 112.367 -170.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.372 0 N-CA-C 110.152 -1.179 . . . . 51.24 110.152 -170.742 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.513 0.197 . . . . 63.32 110.5 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.0 mt -78.99 133.13 36.85 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.347 0.659 . . . . 71.13 110.88 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 29.0 m -104.89 143.45 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.318 -0.993 . . . . 72.32 108.318 164.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.551 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 91.1 mttt -94.31 121.9 36.31 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.043 0.537 . . . . 43.12 109.875 -176.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.24 91.19 3.52 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.544 0.738 . . . . 73.0 109.459 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.565 ' HG3' HG22 ' B' ' 13' ' ' VAL . 2.8 mp0 -74.45 119.48 18.7 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.522 -0.548 . . . . 75.41 109.522 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -66.83 178.95 1.19 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.754 0.421 . . . . 71.42 110.96 171.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p -62.91 -29.19 70.59 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.046 0.539 . . . . 52.31 110.505 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.22 7.79 17.94 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 124.345 1.058 . . . . 75.52 111.386 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 71.92 6.84 5.72 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 125.063 1.345 . . . . 73.25 113.502 172.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -71.12 121.51 18.42 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.506 -0.554 . . . . 70.54 109.506 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.565 HG22 ' HG3' ' B' ' 7' ' ' GLU . 38.7 t -87.29 96.65 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 124.096 0.959 . . . . 70.54 109.379 -173.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.37 86.9 6.64 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.454 0.702 . . . . 75.51 109.797 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.551 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.3 mt-10 -77.32 88.86 3.73 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.912 -1.04 . . . . 63.52 109.018 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.1 tt -119.86 155.58 22.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.936 0.894 . . . . 74.22 108.903 -173.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.98 138.75 57.36 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.192 0.597 . . . . 72.02 110.55 -177.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -58.31 -31.77 67.84 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 124.065 0.853 . . . . 72.1 110.821 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.1 -41.54 92.76 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.94 0.896 . . . . 64.12 111.556 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' B' ' 59' ' ' ARG . 24.0 mt -75.35 -34.74 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.559 0.744 . . . . 71.24 109.971 -179.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.498 ' HB1' HG21 ' B' ' 27' ' ' ILE . . . -68.02 -28.73 67.66 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.715 -0.675 . . . . 74.23 111.456 174.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 74.0 m -76.39 -21.71 55.7 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.498 0.719 . . . . 73.32 111.566 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.86 -24.89 67.92 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.928 0.491 . . . . 73.44 110.551 170.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.423 ' HA ' HG12 ' B' ' 100' ' ' ILE . 50.2 m -77.08 115.01 16.49 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 108.267 -1.012 . . . . 75.24 108.267 161.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.36 -31.87 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.134 0.574 . . . . 73.1 110.408 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -67.94 -47.03 69.81 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.155 0.582 . . . . 71.53 111.275 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.498 HG21 ' HB1' ' B' ' 21' ' ' ALA . 1.7 mp -72.86 -35.03 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 N-CA-C 109.203 -0.665 . . . . 74.22 109.203 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -56.03 -51.29 68.33 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.562 0.745 . . . . 70.31 110.058 172.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -61.65 -40.05 93.53 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.09 -0.959 . . . . 72.24 110.887 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.501 ' O ' HG12 ' B' ' 34' ' ' ILE . 60.0 mtt -59.86 -55.57 32.59 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 123.555 0.535 . . . . 70.05 110.476 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.09 -48.52 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 123.917 0.761 . . . . 34.12 110.544 -175.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.29 -35.91 74.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.293 0.37 . . . . 74.31 111.996 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.59 -38.21 83.69 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.252 0.621 . . . . 74.35 110.897 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.501 HG12 ' O ' ' B' ' 30' ' ' MET . 49.0 mm -73.54 -37.75 50.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.794 -0.639 . . . . 75.22 109.358 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.93 23.39 8.67 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 115.873 -0.603 . . . . 74.12 112.743 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 72.32 125.4 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.113 1.765 . . . . 74.15 110.272 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 74.4 m -142.56 160.48 40.21 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.598 0.713 . . . . 60.03 111.218 -175.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.91 -12.56 59.97 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.036 -1.438 . . . . 75.3 110.92 173.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.4 m -64.97 130.57 94.92 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.051 0.94 . . . . 73.5 110.814 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.53 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 41.7 Cg_endo -68.18 160.51 48.52 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.318 2.012 . . . . 71.24 111.538 172.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -107.58 95.59 14.43 Favored Pre-proline 0 CA--C 1.547 0.865 0 N-CA-C 108.979 -0.748 . . . . 44.32 108.979 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.66 129.93 9.48 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.095 1.864 . . . . 71.12 111.276 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -108.1 88.41 4.68 Favored Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 124.587 1.155 . . . . 75.32 108.919 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -79.71 -5.06 13.85 Favored 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.987 2.458 . . . . 74.13 113.655 -171.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -81.98 -41.92 20.08 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.471 0.708 . . . . 72.04 110.369 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -101.56 136.88 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.455 0.702 . . . . 64.24 110.412 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 53.3 p -80.21 171.8 14.6 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.297 0.639 . . . . 74.13 110.896 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.4 p -64.69 -47.5 78.13 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.733 0.813 . . . . 60.31 112.135 -177.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 38.0 p -61.07 -36.42 79.58 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.257 1.023 . . . . 73.31 112.053 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.52 HG23 HD23 ' B' ' 91' ' ' LEU . 42.2 mm -80.91 -47.46 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 123.21 0.604 . . . . 73.12 110.059 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.2 tp -63.28 -30.29 71.46 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.878 0.871 . . . . 64.4 111.011 -178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.03 -51.29 68.59 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.545 0.738 . . . . 71.34 110.631 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.525 ' HD2' HD21 ' B' ' 91' ' ' LEU . 37.2 mttm -63.9 -42.02 97.55 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 123.713 0.633 . . . . 75.11 110.642 -177.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.648 HG13 ' HG ' ' B' ' 103' ' ' LEU . 77.4 t -60.7 -50.74 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.68 -1.145 . . . . 73.11 110.436 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.9 -28.68 62.62 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.26 0.624 . . . . 75.12 111.864 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -68.3 -50.21 55.18 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.016 0.926 . . . . 75.33 110.897 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -60.57 -48.49 81.52 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.632 -0.713 . . . . 74.21 110.33 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.668 ' SG ' HG21 ' B' ' 100' ' ' ILE . 79.9 m -65.28 -31.55 72.74 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.921 0.763 . . . . 74.24 111.771 -178.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.553 ' HA ' HD13 ' B' ' 20' ' ' ILE . 54.7 ttp180 -64.77 -51.11 64.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.374 0.669 . . . . 74.21 110.024 175.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -63.27 -35.47 80.47 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.155 0.909 . . . . 72.21 111.496 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -75.55 -19.93 58.99 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.269 0.628 . . . . 73.53 109.882 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -82.59 -30.43 29.54 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.941 0.496 . . . . 74.31 110.07 171.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 26.0 mm-40 -70.21 -34.09 72.48 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 109.811 -0.44 . . . . 61.42 109.811 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -128.61 81.75 70.04 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 108.314 -0.995 . . . . 62.12 108.314 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.18 -22.6 40.46 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.757 2.305 . . . . 75.14 113.569 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -172.15 -135.81 2.03 Favored Glycine 0 C--N 1.342 0.879 0 N-CA-C 111.414 -0.674 . . . . 54.3 111.414 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.68 -67.54 3.35 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 111.945 -0.462 . . . . 64.14 111.945 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.5 m -138.44 -174.94 3.95 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.269 1.027 . . . . 74.54 109.576 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' B' ' 72' ' ' ASP . . . 100.99 -25.68 27.44 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-N 116.431 -0.35 . . . . 60.34 112.933 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.59 -44.24 78.61 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.33 0.652 . . . . 74.12 110.902 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -91.46 -37.6 13.07 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.411 0.684 . . . . 71.21 110.332 174.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ASP . . . . . 0.4 ' HB2' ' HA2' ' B' ' 69' ' ' GLY . 3.3 m-20 -63.06 -37.72 88.34 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.197 0.999 . . . . 74.33 111.501 -174.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mm 56.63 93.22 0.05 OUTLIER Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 124.942 1.297 . . . . 72.52 110.201 -172.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.76 128.05 20.1 Favored 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 122.221 1.947 . . . . 72.13 111.121 -176.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.6 -26.28 22.14 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 123.122 2.548 . . . . 72.11 113.293 172.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -54.13 -48.65 70.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.274 1.43 . . . . 64.33 111.834 175.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.21 -38.9 92.98 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.206 1.002 . . . . 72.34 111.098 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -72.19 -34.26 68.29 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.068 -0.969 . . . . 74.41 110.547 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.555 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 53.8 m-20 -79.55 -21.89 44.54 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.356 -0.838 . . . . 43.33 111.787 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -65.5 -33.52 76.13 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.159 0.584 . . . . 73.54 109.861 170.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.06 -10.67 60.15 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.145 -0.934 . . . . 61.23 112.632 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 32.6 mmtp -82.18 73.89 9.19 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.199 0.599 . . . . 55.52 109.708 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.423 HG11 HD11 ' B' ' 91' ' ' LEU . 29.4 m -132.75 170.29 20.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 C-N-CA 124.979 1.312 . . . . 42.25 108.313 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -69.8 157.89 36.51 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 110.019 -0.363 . . . . 71.55 110.019 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.439 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 0.6 OUTLIER -56.61 -51.85 78.03 Favored Pre-proline 0 CA--C 1.571 1.77 0 C-N-CA 123.75 0.82 . . . . 73.45 111.091 -179.347 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 21.7 Cg_exo -68.63 -39.82 8.46 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.815 1.677 . . . . 72.04 112.484 175.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 85.2 m -57.1 -32.16 66.02 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.195 0.998 . . . . 60.32 111.778 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.94 -46.43 89.43 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.78 1.232 . . . . 75.03 109.569 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.413 ' HD1' HD12 ' B' ' 92' ' ' ILE . 29.0 m-85 -73.32 -30.52 63.41 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.679 -0.691 . . . . 64.15 111.694 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.72 -35.57 76.67 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.941 0.496 . . . . 74.23 110.644 173.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.525 HD21 ' HD2' ' B' ' 53' ' ' LYS . 95.7 mt -69.07 -34.44 75.15 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.634 0.774 . . . . 74.41 111.285 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.413 HD12 ' HD1' ' B' ' 89' ' ' PHE . 44.6 mt -69.91 -41.54 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 123.13 0.572 . . . . 75.24 110.057 176.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.17 -38.87 92.62 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.795 0.838 . . . . 64.23 110.532 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.08 -34.46 64.01 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.692 0.797 . . . . 74.11 110.888 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.598 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -70.22 -29.68 66.57 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.333 0.653 . . . . 71.11 111.49 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -80.06 -41.48 25.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.833 0.853 . . . . 74.44 110.058 173.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -63.72 -35.53 80.87 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.9 0.88 . . . . 73.31 111.678 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.56 HD12 HG11 ' B' ' 54' ' ' VAL . 60.3 mt -96.4 -19.19 19.38 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.037 0.535 . . . . 63.11 110.594 177.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 28.7 t0 50.41 67.28 0.95 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.444 1.498 . . . . 73.11 111.962 -174.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.668 HG21 ' SG ' ' B' ' 58' ' ' CYS . 25.5 mt -103.6 115.07 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 107.569 -1.271 . . . . 64.31 107.569 174.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -63.41 -49.14 80.13 Favored Pre-proline 0 CA--C 1.562 1.429 0 CA-C-O 118.56 -0.733 . . . . 72.44 112.768 -171.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -61.1 -43.9 27.15 Favored 'Trans proline' 0 C--N 1.392 2.851 0 C-N-CA 121.859 1.706 . . . . 62.0 113.142 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.648 ' HG ' HG13 ' B' ' 54' ' ' VAL . 1.6 tm? -63.76 -51.08 66.46 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.361 0.664 . . . . 73.32 109.713 -175.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.88 -44.44 91.12 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.044 -0.98 . . . . 53.33 110.728 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.41 ' O ' ' HD3' ' B' ' 109' ' ' LYS . 23.7 t70 -64.67 -51.78 60.72 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.015 0.822 . . . . 71.13 110.841 -175.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.82 -46.0 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.715 0.806 . . . . 63.33 111.373 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.5 m -72.15 -32.61 67.05 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.15 0.58 . . . . 74.13 111.908 -175.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 96.1 m -71.02 -39.25 72.48 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.763 0.425 . . . . 63.34 110.094 175.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' LYS . . . . . 0.41 ' HD3' ' O ' ' B' ' 105' ' ' ASP . 1.4 mptm? -67.47 -30.29 69.96 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.603 0.761 . . . . 73.35 110.879 175.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 85.0 m -57.27 -46.04 83.47 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 123.585 0.553 . . . . 44.22 110.571 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.0 t -71.17 -40.74 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 121.065 0.46 . . . . 71.14 110.26 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.5 71.35 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.156 -0.929 . . . . 53.3 111.466 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -69.88 -35.84 74.98 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.364 0.666 . . . . 71.25 110.689 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 44.3 mtm -69.22 -32.79 72.27 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.025 0.53 . . . . 74.32 111.311 -177.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.9 pt -100.68 -2.59 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.097 0.559 . . . . 62.0 111.79 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -57.84 -52.44 65.46 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.875 0.87 . . . . 71.0 112.52 -170.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 N-CA-C 109.396 -1.482 . . . . 74.05 109.396 -170.352 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 110.343 -0.243 . . . . 71.52 110.343 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.4 mt -82.63 117.45 22.6 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.705 0.402 . . . . 73.33 110.649 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.9 m -85.78 130.86 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 109.42 -0.585 . . . . 72.51 109.42 168.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.534 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 89.2 mttt -86.17 83.14 7.81 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.088 -0.96 . . . . 73.11 109.88 -174.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.02 90.13 5.97 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.3 0.64 . . . . 73.22 110.195 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -79.07 134.27 36.76 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.651 -0.704 . . . . 72.14 110.01 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.9 p -87.0 175.17 8.26 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 124.057 0.943 . . . . 73.23 110.707 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p -70.0 -13.74 62.37 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.288 0.635 . . . . 74.44 111.413 173.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.43 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 27.9 t70 -91.77 5.32 50.3 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.307 1.043 . . . . 74.2 110.316 175.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 77.97 -2.96 2.42 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.185 1.394 . . . . 71.32 112.794 173.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -77.07 125.44 29.33 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 121.171 -0.955 . . . . 75.24 110.367 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -95.28 110.13 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 124.56 1.144 . . . . 73.14 110.214 -174.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.58 95.23 7.47 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.49 0.716 . . . . 64.31 109.436 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.534 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 31.8 mt-10 -79.81 78.73 6.38 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.056 -0.975 . . . . 62.45 109.64 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.419 HG13 ' NH2' ' A' ' 59' ' ' ARG . 20.5 tt -103.33 157.73 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 108.885 -0.783 . . . . 53.1 108.885 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 133.6 55.33 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.355 0.662 . . . . 72.44 110.159 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -58.88 -36.86 75.34 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.109 0.881 . . . . 73.11 111.42 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.26 -30.55 68.37 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.98 0.912 . . . . 75.44 112.22 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.9 mt -80.9 -36.68 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.21 0.604 . . . . 74.22 109.898 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.32 -16.18 62.97 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.825 -0.625 . . . . 71.41 111.991 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 71.4 m -75.05 -26.72 59.62 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.508 0.723 . . . . 62.34 111.01 173.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.6 mtp -63.33 -32.67 74.16 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.33 0.652 . . . . 74.43 109.635 173.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.603 ' HA ' HG12 ' A' ' 100' ' ' ILE . 44.5 t -73.95 105.16 5.08 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.862 -1.063 . . . . 52.13 108.251 164.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.4 t -67.17 -36.48 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 119.273 -0.394 . . . . 65.25 111.555 -172.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.7 m -64.47 -48.87 73.62 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.603 0.361 . . . . 71.41 111.587 177.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.89 -42.25 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.818 0.447 . . . . 73.32 110.021 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 21.0 ttpp -55.43 -50.23 70.34 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.079 0.952 . . . . 72.13 110.196 173.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.02 -32.46 74.02 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.349 -0.842 . . . . 71.45 111.084 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 64.7 mtt -65.04 -49.41 70.26 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.109 0.564 . . . . 72.34 110.403 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -61.65 -39.61 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.632 0.773 . . . . 62.55 110.49 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.85 -34.24 62.25 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.459 0.704 . . . . 72.42 111.704 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.27 -38.91 71.83 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.59 0.756 . . . . 73.05 110.755 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -74.2 -29.82 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.176 -0.92 . . . . 71.02 109.473 172.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.1 -56.2 0.75 Allowed Glycine 0 C--N 1.344 1.027 0 N-CA-C 111.086 -0.806 . . . . 74.24 111.086 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -138.51 123.91 19.42 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.588 1.155 . . . . 74.44 108.435 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 m -126.64 85.3 2.36 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.053 0.454 . . . . 70.02 110.869 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.78 -34.7 26.96 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.683 -0.689 . . . . 64.51 109.983 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -63.16 144.5 97.36 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.676 0.79 . . . . 65.34 110.706 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HG3' ' HD2' ' A' ' 5' ' ' LYS . 73.9 Cg_exo -52.88 118.74 5.08 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.969 2.446 . . . . 75.44 112.803 178.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -73.04 111.31 11.0 Favored Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 108.715 -0.846 . . . . 73.14 108.715 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -85.9 123.3 2.38 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.474 2.116 . . . . 63.3 111.103 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.7 mt -107.22 94.27 10.9 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 107.971 -1.122 . . . . 71.32 107.971 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.17 -1.75 10.57 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 123.43 2.754 . . . . 71.32 114.463 -172.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -140.19 72.44 1.4 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.208 0.527 . . . . 74.35 110.847 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.3 p -174.2 123.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 114.726 -1.125 . . . . 74.1 108.37 165.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.2 p -69.16 154.14 42.55 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.91 0.484 . . . . 64.24 110.167 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.43 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 57.5 p -60.69 -47.85 84.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.8 0.84 . . . . 64.04 112.898 -171.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 40.0 p -58.82 -46.86 86.67 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 124.05 0.844 . . . . 73.42 111.195 -177.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.556 HG23 HD23 ' A' ' 91' ' ' LEU . 49.2 mm -69.31 -42.44 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.291 0.636 . . . . 74.12 110.595 -178.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.02 -41.94 88.98 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.731 0.644 . . . . 65.4 110.276 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.3 -47.17 87.2 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.828 0.851 . . . . 72.25 110.92 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 49' ' ' THR . 31.0 mtpp -59.09 -43.98 91.88 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 124.03 0.831 . . . . 70.55 111.208 -178.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.8 t -69.44 -43.64 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 115.525 -0.761 . . . . 62.33 110.474 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.25 -32.99 73.56 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.237 0.615 . . . . 72.43 111.632 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.32 -44.5 68.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.501 0.721 . . . . 75.35 109.624 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD2' HD23 ' A' ' 103' ' ' LEU . 89.0 t80 -60.58 -45.96 92.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.218 -0.447 . . . . 75.21 110.551 175.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 85.5 m -59.81 -36.33 76.54 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.712 0.632 . . . . 74.54 110.656 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' NH2' HG13 ' A' ' 16' ' ' ILE . 35.2 ttm180 -65.69 -42.05 91.66 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.836 0.454 . . . . 75.23 110.92 175.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -62.79 -45.24 93.58 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.227 0.611 . . . . 74.24 111.025 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -78.37 -14.41 59.41 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.666 -0.697 . . . . 73.14 110.664 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -79.37 -37.48 37.26 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 109.652 -0.499 . . . . 74.54 109.652 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 85.9 mm-40 -72.84 -24.37 60.88 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.503 0.721 . . . . 72.31 110.869 176.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -126.89 73.56 76.06 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.008 0.923 . . . . 74.32 108.661 174.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -89.61 23.1 0.73 Allowed 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 123.394 2.729 . . . . 73.25 113.373 -172.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.14 37.27 3.12 Favored Glycine 0 C--N 1.348 1.208 0 CA-C-O 120.022 -0.321 . . . . 72.51 113.586 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.71 -94.89 0.1 OUTLIER Glycine 0 C--N 1.353 1.517 0 C-N-CA 123.298 0.475 . . . . 72.52 112.93 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 m -136.2 132.7 36.26 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.45 1.1 . . . . 73.23 108.943 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -116.81 160.76 13.3 Favored Glycine 0 N--CA 1.468 0.799 0 N-CA-C 110.795 -0.922 . . . . 53.42 110.795 174.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.2 tp -86.17 52.73 2.57 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 122.445 1.117 . . . . 73.03 109.098 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -161.74 20.22 0.11 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.173 0.989 . . . . 72.2 108.951 -178.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -85.27 -159.05 0.41 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.034 0.933 . . . . 72.43 109.976 -173.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.7 mm 58.25 67.69 2.1 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 124.559 1.143 . . . . 62.31 109.633 -166.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -66.33 152.45 80.99 Favored 'Trans proline' 0 C--N 1.377 2.077 0 C-N-CA 122.367 2.045 . . . . 73.35 111.934 173.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.09 -30.89 72.7 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.865 2.377 . . . . 70.14 111.925 172.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -56.54 -50.91 70.47 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 123.778 0.831 . . . . 72.53 111.992 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.21 -32.94 73.66 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.718 0.807 . . . . 71.35 111.265 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -65.44 -46.38 80.12 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.995 -0.548 . . . . 73.54 109.948 173.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.19 -24.65 64.08 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.745 -0.661 . . . . 72.42 112.055 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CZ ' HD21 ' A' ' 103' ' ' LEU . 58.9 t80 -69.64 -38.55 77.21 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.671 0.788 . . . . 65.43 109.071 175.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.426 ' SG ' HG21 ' A' ' 110' ' ' THR . 65.3 m -71.84 -24.31 61.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.805 -1.089 . . . . 71.24 111.348 177.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.95 76.66 2.18 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.099 0.56 . . . . 71.35 110.099 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.444 HG11 ' HE2' ' A' ' 53' ' ' LYS . 16.3 m -142.49 156.6 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.859 1.264 . . . . 72.32 108.203 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.33 164.18 23.45 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.185 0.594 . . . . 70.31 109.872 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.523 ' HA ' HD12 ' A' ' 88' ' ' LEU . 26.0 tp60 -56.56 -48.68 96.68 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 112.907 0.706 . . . . 71.34 112.907 -176.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.47 -35.41 96.08 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 121.871 1.714 . . . . 62.24 112.67 172.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 m -69.58 -29.98 67.65 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.737 0.815 . . . . 74.1 111.314 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 85' ' ' GLN . 78.2 mt -59.72 -47.09 87.02 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.729 0.812 . . . . 73.43 110.187 171.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -65.83 -30.06 70.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.496 0.718 . . . . 74.32 111.576 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -66.38 -37.16 84.65 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.506 0.722 . . . . 64.13 111.595 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.556 HD23 HG23 ' A' ' 50' ' ' ILE . 93.1 mt -67.93 -36.53 80.3 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.052 0.541 . . . . 70.24 110.497 175.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.434 HD13 HD13 ' B' ' 92' ' ' ILE . 77.7 mt -67.2 -41.85 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.662 0.785 . . . . 73.41 109.954 175.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.95 -48.39 79.11 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.317 0.647 . . . . 73.34 110.724 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.07 -42.88 88.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.411 0.684 . . . . 72.11 111.227 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.4 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -65.45 -41.59 93.25 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.076 0.551 . . . . 75.13 111.624 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -74.06 -32.61 63.37 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.129 0.572 . . . . 74.32 110.759 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -72.04 -38.97 69.41 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.143 0.977 . . . . 70.52 110.771 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.8 mt -91.33 -6.77 52.54 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.778 0.831 . . . . 74.53 111.057 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 t70 54.22 65.05 1.62 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.838 1.255 . . . . 71.32 110.203 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.603 HG12 ' HA ' ' A' ' 24' ' ' SER . 35.2 mt -120.39 90.96 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 107.015 -1.476 . . . . 73.43 107.015 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -57.18 -45.46 99.92 Favored Pre-proline 0 CA--C 1.564 1.5 0 CA-C-O 118.131 -0.937 . . . . 75.43 111.318 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.413 ' O ' HG23 ' A' ' 106' ' ' VAL . 95.0 Cg_exo -49.34 -56.98 2.63 Favored 'Trans proline' 0 C--N 1.396 3.04 0 C-N-CA 122.193 1.929 . . . . 72.13 114.213 174.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.464 HD23 ' CD2' ' A' ' 57' ' ' TYR . 2.6 tm? -67.21 -39.16 86.26 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.838 0.455 . . . . 65.53 110.537 -175.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.613 HD21 HD21 ' B' ' 104' ' ' LEU . 49.7 tp -62.06 -40.91 97.4 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.889 0.743 . . . . 73.32 110.233 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.5 -38.92 65.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.614 -0.721 . . . . 74.02 110.581 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 102' ' ' PRO . 74.4 t -61.53 -46.15 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.984 0.514 . . . . 31.12 110.043 175.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.3 m -65.41 -41.06 94.0 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.031 0.532 . . . . 63.45 110.889 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.467 ' HB3' HD23 ' B' ' 93' ' ' LEU . 97.2 m -65.57 -39.48 91.71 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.533 0.733 . . . . 71.14 110.745 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.8 -51.26 63.12 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.844 0.458 . . . . 75.01 109.886 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.426 HG21 ' SG ' ' A' ' 81' ' ' CYS . 98.4 m -58.07 -51.19 70.71 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.802 0.841 . . . . 70.11 112.03 -175.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.463 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 26.8 m -61.42 -34.4 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 122.674 0.389 . . . . 54.25 110.902 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.408 ' HA ' HD11 ' A' ' 115' ' ' ILE . . . -73.62 -34.18 64.91 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.601 0.76 . . . . 72.41 111.933 177.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -73.52 -39.41 64.81 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.952 0.501 . . . . 74.43 111.148 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.463 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 59.3 mtm -70.36 -40.41 74.07 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.034 0.534 . . . . 75.21 111.526 -175.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' B' ' 86' ' ' PRO . 18.6 pt -69.8 -24.57 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 C-N-CA 123.057 0.543 . . . . 72.43 111.893 179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -90.16 -19.59 24.07 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.461 0.704 . . . . 74.41 110.616 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.321 0 CA-C-O 118.999 -0.89 . . . . 45.24 112.475 -178.001 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.617 0.246 . . . . 74.0 110.654 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.8 mt -81.75 117.42 22.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.036 0.534 . . . . 53.3 110.642 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 m -86.08 129.68 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 109.502 -0.555 . . . . 74.1 109.502 169.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.53 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 88.1 mttt -85.43 83.41 7.95 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.097 -0.956 . . . . 70.35 109.872 -174.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.49 89.74 6.18 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.753 -0.658 . . . . 74.45 110.209 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -78.76 134.41 37.03 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.71 -0.677 . . . . 55.1 109.956 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 54.1 p -86.69 176.49 7.74 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 123.982 0.913 . . . . 44.4 110.672 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.1 p -70.78 -13.92 62.23 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.129 0.572 . . . . 70.03 111.291 172.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.419 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 28.2 t70 -92.06 4.85 52.2 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.549 1.14 . . . . 61.11 110.517 175.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 77.94 -2.51 2.47 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.228 1.411 . . . . 73.04 112.771 172.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -76.7 125.64 29.61 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 121.399 -0.813 . . . . 71.43 110.063 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.59 111.76 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.582 1.153 . . . . 65.54 109.984 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -98.72 95.36 7.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.833 0.853 . . . . 74.24 109.525 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.53 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 31.9 mt-10 -81.02 78.21 7.85 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.158 -0.928 . . . . 74.52 109.527 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.425 HG13 ' NH2' ' B' ' 59' ' ' ARG . 20.5 tt -102.61 158.06 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.074 -0.713 . . . . 71.03 109.074 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.1 133.04 54.65 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.367 0.667 . . . . 53.22 110.085 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -58.3 -36.81 73.89 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.23 0.956 . . . . 63.2 111.541 -176.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.25 -29.76 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.969 0.908 . . . . 65.52 112.281 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 39.3 mt -81.18 -36.9 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 C-N-CA 123.313 0.645 . . . . 54.31 109.803 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.43 -16.15 62.91 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.906 -0.588 . . . . 74.43 112.065 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 75.7 m -74.11 -28.94 61.6 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.339 0.655 . . . . 41.2 110.54 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 81.1 mtp -60.94 -33.21 72.82 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.473 0.709 . . . . 74.1 109.939 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.598 ' HA ' HG12 ' B' ' 100' ' ' ILE . 44.3 t -73.72 105.77 5.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.704 -1.134 . . . . 75.13 108.224 165.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.38 -36.77 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 122.577 0.351 . . . . 72.01 111.621 -172.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 95.4 m -63.95 -49.4 72.71 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.737 0.415 . . . . 74.54 111.613 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.8 -42.18 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 122.804 0.442 . . . . 35.21 109.983 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -55.2 -50.31 69.7 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.086 0.954 . . . . 74.03 110.211 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -64.35 -32.17 73.67 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.426 -0.806 . . . . 65.44 111.09 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.8 mtt -64.96 -49.25 71.04 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.152 0.581 . . . . 74.02 110.398 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.81 -39.56 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 123.644 0.777 . . . . 54.02 110.567 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -74.23 -35.33 63.85 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.465 0.706 . . . . 71.44 111.724 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.23 -39.67 74.95 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.682 0.793 . . . . 74.32 110.614 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.73 -28.33 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 115.385 -0.825 . . . . 61.4 109.727 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.15 -58.19 0.77 Allowed Glycine 0 C--N 1.345 1.046 0 N-CA-C 110.906 -0.878 . . . . 74.1 110.906 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -137.01 125.12 22.95 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.59 1.156 . . . . 73.02 107.983 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 32.8 m -127.89 81.12 2.0 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.81 0.444 . . . . 74.25 110.877 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -79.79 -32.85 40.87 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 115.773 -0.648 . . . . 72.14 110.125 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.0 m -64.13 144.63 98.27 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 123.752 0.821 . . . . 63.15 110.846 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.413 ' HG3' ' HD2' ' B' ' 5' ' ' LYS . 73.3 Cg_exo -52.36 120.8 7.91 Favored 'Trans proline' 0 C--N 1.384 2.419 0 C-N-CA 122.791 2.327 . . . . 61.51 112.368 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -74.94 112.01 15.92 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 108.761 -0.829 . . . . 75.15 108.761 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -85.56 124.55 2.73 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.67 2.246 . . . . 51.41 111.161 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.5 mt -108.33 93.83 12.23 Favored Pre-proline 0 CA--C 1.544 0.744 0 N-CA-C 107.998 -1.112 . . . . 75.23 107.998 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -71.6 -2.73 11.8 Favored 'Trans proline' 0 C--N 1.383 2.369 0 C-N-CA 123.392 2.728 . . . . 74.34 114.306 -172.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -139.29 72.53 1.4 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.258 0.551 . . . . 74.0 110.806 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 11.5 p -174.32 124.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 114.748 -1.115 . . . . 73.22 108.341 165.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 42.3 p -70.06 154.19 42.25 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.915 0.486 . . . . 45.33 110.085 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.419 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 65.8 p -60.51 -48.07 83.39 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.985 0.914 . . . . 71.55 112.839 -172.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.483 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 36.3 p -58.9 -46.99 86.55 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.049 0.843 . . . . 75.31 110.895 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.573 HG23 HD23 ' B' ' 91' ' ' LEU . 49.5 mm -69.01 -42.28 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.25 0.62 . . . . 71.45 110.922 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.16 -42.33 90.47 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.392 0.677 . . . . 54.22 110.225 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.67 -46.46 89.65 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.91 0.884 . . . . 71.32 110.712 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' B' ' 49' ' ' THR . 31.0 mtpp -58.72 -44.23 90.37 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.925 0.766 . . . . 72.32 111.281 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 98.1 t -70.08 -43.2 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-N 115.472 -0.785 . . . . 73.21 110.625 -177.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.33 -33.3 74.05 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.282 0.633 . . . . 61.13 111.443 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.36 -44.31 68.37 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.486 0.715 . . . . 73.45 109.709 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' TYR . . . . . 0.463 ' CD2' HD23 ' B' ' 103' ' ' LEU . 88.6 t80 -60.63 -45.79 92.74 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.768 0.427 . . . . 65.45 110.446 175.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 89.5 m -59.59 -36.72 76.82 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 123.814 0.696 . . . . 71.03 110.683 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.425 ' NH2' HG13 ' B' ' 16' ' ' ILE . 35.1 ttm180 -65.06 -42.48 94.15 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.998 0.519 . . . . 73.44 110.996 175.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -62.59 -45.59 92.19 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.182 0.593 . . . . 73.34 110.866 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -77.68 -14.22 59.68 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.587 -0.733 . . . . 74.31 110.846 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -80.39 -36.12 34.35 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.645 -0.502 . . . . 74.34 109.645 173.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -73.53 -24.49 60.14 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.288 0.635 . . . . 61.31 110.71 175.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -126.76 73.99 75.43 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 124.118 0.967 . . . . 64.13 108.513 174.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -90.24 24.37 0.62 Allowed 'Trans proline' 0 C--N 1.385 2.469 0 C-N-CA 123.348 2.699 . . . . 63.23 113.306 -173.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.59 39.53 3.12 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 123.368 0.418 . . . . 71.23 112.955 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.0 -95.4 0.09 OUTLIER Glycine 0 C--N 1.353 1.526 0 C-N-CA 123.358 0.504 . . . . 73.32 112.963 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 70.0 m -136.79 132.57 34.89 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.471 1.108 . . . . 65.42 109.19 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -115.99 160.78 13.17 Favored Glycine 0 C--N 1.339 0.702 0 N-CA-C 111.094 -0.802 . . . . 61.52 111.094 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 48.2 tp -85.13 48.39 1.56 Allowed 'General case' 0 CA--C 1.563 1.472 0 CA-C-O 122.462 1.125 . . . . 71.31 110.091 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -159.07 22.57 0.2 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.232 1.013 . . . . 64.32 108.471 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -85.6 -159.32 0.44 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.402 1.081 . . . . 71.03 109.959 -174.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 34.0 mm 57.64 67.39 2.4 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 124.521 1.128 . . . . 73.44 109.825 -167.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -65.98 152.5 81.19 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.512 2.142 . . . . 75.44 111.813 173.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.8 -31.26 71.53 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 123.005 2.47 . . . . 74.21 111.973 172.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -56.3 -50.29 71.83 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.65 0.78 . . . . 71.14 112.105 175.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.05 -32.4 73.76 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.748 0.819 . . . . 72.45 111.334 -176.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -65.51 -46.63 78.9 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.83 0.707 . . . . 73.41 109.873 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.56 -24.26 63.68 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.319 0.648 . . . . 63.22 112.069 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.438 ' CZ ' HD21 ' B' ' 103' ' ' LEU . 58.8 t80 -70.1 -38.47 75.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.598 0.759 . . . . 73.33 109.175 175.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' CYS . . . . . 0.44 ' SG ' HG21 ' B' ' 110' ' ' THR . 72.4 m -72.04 -24.9 61.61 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.833 -1.076 . . . . 72.13 111.443 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -74.68 78.44 2.03 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.938 0.495 . . . . 74.2 109.745 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.439 HG11 ' HE2' ' B' ' 53' ' ' LYS . 16.4 m -143.8 154.72 15.9 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 C-N-CA 125.03 1.332 . . . . 62.01 107.86 175.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -67.99 163.55 21.98 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.302 0.641 . . . . 54.11 109.657 -175.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.513 ' HA ' HD12 ' B' ' 88' ' ' LEU . 27.4 tp60 -56.3 -47.35 99.04 Favored Pre-proline 0 N--CA 1.488 1.466 0 CA-C-O 118.84 -0.6 . . . . 71.3 112.524 -176.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.679 ' HA ' HD12 ' A' ' 115' ' ' ILE . 24.3 Cg_endo -60.34 -35.41 91.38 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 121.522 1.482 . . . . 72.54 113.631 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.1 m -69.87 -29.6 66.86 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 123.977 0.911 . . . . 72.13 111.241 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' B' ' 85' ' ' GLN . 77.9 mt -59.17 -47.41 85.39 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.837 0.855 . . . . 74.12 110.662 171.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -66.73 -29.38 69.35 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.45 -0.795 . . . . 63.43 111.698 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -66.4 -36.83 83.82 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.61 0.764 . . . . 60.31 111.692 173.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.573 HD23 HG23 ' B' ' 50' ' ' ILE . 94.1 mt -67.91 -36.72 80.67 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.169 0.588 . . . . 74.52 110.421 175.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.434 HD13 HD13 ' A' ' 92' ' ' ILE . 77.0 mt -67.12 -41.8 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.675 0.79 . . . . 54.42 109.921 175.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 108' ' ' CYS . 10.9 mt -61.89 -49.52 75.88 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.288 0.635 . . . . 44.23 111.045 176.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.42 89.22 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.906 0.754 . . . . 73.12 111.093 -174.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.54 92.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.03 0.532 . . . . 75.32 111.255 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -73.76 -34.54 64.74 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.006 0.522 . . . . 65.3 110.698 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -70.84 -38.26 73.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.862 0.865 . . . . 75.34 110.783 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 89.0 mt -91.4 -6.92 52.1 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.757 0.823 . . . . 70.12 110.976 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.9 t70 54.19 65.51 1.49 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.959 1.303 . . . . 73.13 110.081 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.598 HG12 ' HA ' ' B' ' 24' ' ' SER . 35.6 mt -120.51 91.25 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 107.029 -1.471 . . . . 72.21 107.029 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -57.79 -44.94 99.8 Favored Pre-proline 0 CA--C 1.567 1.601 0 CA-C-O 118.008 -0.996 . . . . 71.31 111.282 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' PRO . . . . . 0.417 ' O ' HG23 ' B' ' 106' ' ' VAL . 95.3 Cg_exo -49.35 -57.08 2.56 Favored 'Trans proline' 0 C--N 1.396 3.039 0 C-N-CA 122.169 1.913 . . . . 61.05 114.207 173.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.463 HD23 ' CD2' ' B' ' 57' ' ' TYR . 2.6 tm? -67.27 -38.94 85.91 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.804 0.442 . . . . 75.41 110.527 -175.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.613 HD21 HD21 ' A' ' 104' ' ' LEU . 53.1 tp -61.89 -42.28 98.88 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.922 0.764 . . . . 75.04 110.384 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -73.46 -38.07 65.57 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.541 -0.754 . . . . 63.22 110.21 -175.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 102' ' ' PRO . 75.0 t -61.15 -46.56 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 122.955 0.502 . . . . 74.11 110.001 174.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 56.6 m -65.23 -40.87 94.64 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.199 0.6 . . . . 63.3 111.115 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 93.1 m -66.19 -37.42 85.56 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.559 0.744 . . . . 74.23 110.876 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.94 -51.1 59.34 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.739 0.416 . . . . 72.45 109.882 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' THR . . . . . 0.44 HG21 ' SG ' ' B' ' 81' ' ' CYS . 98.6 m -57.51 -51.33 69.89 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.039 0.837 . . . . 53.52 111.949 -175.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.436 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 35.6 m -61.82 -34.69 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 122.73 0.412 . . . . 72.31 110.714 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.1 -34.84 66.43 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.347 0.659 . . . . 73.4 111.275 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -72.59 -40.3 66.67 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.173 0.589 . . . . 64.13 110.944 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' MET . . . . . 0.436 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 63.6 mtm -70.31 -40.02 74.47 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.014 0.526 . . . . 63.2 111.479 -175.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.6 pt -71.0 -22.34 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 122.665 0.386 . . . . 52.42 111.792 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -91.29 -18.92 23.58 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.669 0.787 . . . . 75.25 110.743 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.282 0 CA-C-O 118.988 -0.896 . . . . 62.25 112.478 -178.326 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.242 0.704 0 CA-C-O 120.61 0.243 . . . . 63.31 110.492 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.5 mt -84.61 123.17 30.03 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.254 -0.647 . . . . 75.15 109.254 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.574 HG12 ' HA ' ' A' ' 38' ' ' ASP . 13.8 m -89.25 136.01 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 109.062 -0.718 . . . . 74.31 109.062 168.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 64.2 mttp -83.8 120.0 25.51 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.585 -0.734 . . . . 74.14 109.674 -178.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.465 HD21 HD13 ' A' ' 27' ' ' ILE . 9.2 mp -109.41 95.83 5.88 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.563 0.745 . . . . 54.22 109.265 177.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -80.75 121.85 26.42 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.91 -0.774 . . . . 64.44 108.91 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -82.35 174.99 10.61 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.349 0.66 . . . . 73.44 110.811 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.6 t -65.59 -22.08 66.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.93 0.892 . . . . 61.31 111.181 172.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.45 5.12 36.64 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.951 0.901 . . . . 61.13 111.031 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 74.01 5.45 4.74 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.938 1.295 . . . . 73.15 112.784 171.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -90.79 127.72 36.44 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.019 0.528 . . . . 73.43 109.888 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.6 t -96.33 124.05 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 C-N-CA 124.294 1.038 . . . . 75.24 110.447 -175.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -109.4 106.46 16.25 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.398 1.079 . . . . 70.21 109.119 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 41.4 mt-10 -77.98 83.38 4.29 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.104 0.562 . . . . 73.22 109.487 178.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.5 151.97 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 108.7 -0.852 . . . . 72.21 108.7 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.15 132.36 53.45 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.272 0.629 . . . . 63.25 109.435 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -53.42 -40.5 65.19 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.089 0.868 . . . . 72.23 111.351 -175.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -61.08 -33.91 74.07 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.953 0.901 . . . . 50.23 112.446 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.4 mt -79.05 -31.84 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.371 0.668 . . . . 64.14 110.123 177.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.3 -21.05 59.91 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.161 0.584 . . . . 61.14 111.92 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.6 m -73.48 -23.23 60.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.566 0.746 . . . . 52.12 111.765 175.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 79.7 mtp -60.84 -38.05 84.15 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.442 0.639 . . . . 73.25 110.293 173.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.421 ' HA ' HG12 ' A' ' 100' ' ' ILE . 48.0 t -73.72 112.86 10.22 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 114.545 -1.207 . . . . 74.11 108.434 170.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.58 -45.08 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 123.177 0.591 . . . . 54.33 111.219 -175.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.4 m -64.84 -48.93 72.56 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.093 0.557 . . . . 71.05 111.864 -177.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.465 HD13 HD21 ' A' ' 6' ' ' LEU . 92.8 mt -62.61 -41.31 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 C-N-CA 123.181 0.592 . . . . 72.03 110.399 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -56.98 -47.66 80.25 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.091 0.956 . . . . 71.0 110.249 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -65.52 -32.65 74.36 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.43 0.692 . . . . 75.44 111.291 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.9 mtt -63.76 -43.99 94.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.193 0.597 . . . . 74.43 110.718 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.56 -43.26 87.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.585 -0.734 . . . . 74.54 110.121 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.7 -27.91 65.39 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.556 0.743 . . . . 71.13 111.833 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.14 -39.49 71.95 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.492 0.717 . . . . 62.13 110.315 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.6 mt -79.81 -11.5 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 CA-C-N 115.19 -0.914 . . . . 65.22 109.502 172.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.88 -73.23 1.18 Allowed Glycine 0 C--N 1.348 1.221 0 N-CA-C 110.64 -0.984 . . . . 22.41 110.64 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -137.79 107.39 6.2 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.386 -0.968 . . . . 75.32 108.386 177.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.7 p -141.56 106.39 4.92 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.056 0.542 . . . . 72.23 111.033 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.574 ' HA ' HG12 ' A' ' 4' ' ' VAL . 8.8 p-10 -89.48 -17.03 29.45 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.832 0.853 . . . . 54.11 109.828 168.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -56.95 151.66 32.33 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 124.936 1.295 . . . . 55.13 111.757 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.16 105.91 0.13 Allowed 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 123.266 2.644 . . . . 51.44 114.03 -173.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -71.39 108.58 4.04 Favored Pre-proline 0 CA--C 1.558 1.255 0 N-CA-C 108.229 -1.026 . . . . 75.05 108.229 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.11 126.36 7.77 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.352 2.034 . . . . 75.24 111.06 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.6 mt -115.31 88.27 18.19 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.139 0.976 . . . . 65.24 108.702 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -85.78 62.74 5.41 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.564 2.843 . . . . 42.34 111.414 -174.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -161.94 -58.02 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.004 -0.998 . . . . 75.45 108.846 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.63 128.64 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 CA-C-N 115.468 -0.787 . . . . 71.31 110.037 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.8 p -80.26 175.7 10.42 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.235 0.614 . . . . 73.42 110.703 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.9 p -65.79 -47.82 73.83 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.57 0.748 . . . . 55.42 112.38 -173.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.8 p -63.28 -39.33 94.29 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.633 0.773 . . . . 51.41 111.134 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.665 HG23 HD23 ' A' ' 91' ' ' LEU . 50.4 mm -72.81 -46.52 52.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.23 -0.896 . . . . 71.42 109.765 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.446 HD21 ' HB3' ' A' ' 6' ' ' LEU . 44.9 tp -62.7 -34.67 77.63 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.345 0.658 . . . . 71.22 111.203 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.5 -51.82 67.84 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.03 0.932 . . . . 72.12 110.152 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HB3' ' HE1' ' A' ' 80' ' ' PHE . 28.4 mtmm -62.12 -41.94 98.74 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.101 -0.954 . . . . 71.02 111.904 178.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.26 -45.89 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 C-N-CA 123.74 0.816 . . . . 73.14 110.781 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.03 -36.0 72.2 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.938 0.495 . . . . 74.41 111.171 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.462 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 33.3 t70 -70.83 -35.62 72.54 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.77 0.669 . . . . 71.34 110.654 -177.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -66.23 -44.98 82.27 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.976 -0.556 . . . . 74.12 109.751 174.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.38 -30.61 71.32 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.778 0.831 . . . . 74.53 111.738 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.462 ' HD2' ' HA ' ' A' ' 56' ' ' ASP . 90.2 mtt-85 -56.99 -53.91 52.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.106 0.563 . . . . 74.52 110.531 172.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -59.11 -42.72 91.2 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 123.704 0.627 . . . . 61.04 111.395 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -63.26 -31.91 73.18 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 123.879 0.737 . . . . 73.04 111.245 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -82.76 -46.31 13.29 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.638 0.775 . . . . 74.24 112.124 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -70.94 -28.35 64.42 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.889 0.875 . . . . 74.21 110.89 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -120.37 86.27 38.5 Favored Pre-proline 0 C--O 1.242 0.706 0 N-CA-C 107.321 -1.363 . . . . 71.11 107.321 170.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -53.37 99.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 123.288 2.658 . . . . 61.23 113.329 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.7 -95.37 0.1 Allowed Glycine 0 C--N 1.336 0.537 0 N-CA-C 109.997 -1.241 . . . . 71.41 109.997 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.39 -141.22 12.61 Favored Glycine 0 C--N 1.349 1.263 0 C-N-CA 122.933 0.301 . . . . 62.11 112.67 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.0 m -75.5 104.06 5.89 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.254 0.622 . . . . 51.33 110.161 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.32 150.17 50.8 Favored Glycine 0 C--N 1.345 1.053 0 O-C-N 123.707 0.629 . . . . 74.13 112.228 173.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.59 99.71 0.46 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.991 0.916 . . . . 61.1 109.6 -175.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t70 74.28 -5.25 2.12 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 125.57 1.548 . . . . 62.32 111.598 -176.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.96 -64.09 1.12 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.742 0.817 . . . . 72.44 109.568 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm 56.97 101.37 0.04 OUTLIER Pre-proline 0 CA--C 1.563 1.462 0 C-N-CA 125.291 1.437 . . . . 74.53 111.829 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.9 148.37 88.9 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.866 2.377 . . . . 73.11 113.45 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.44 -57.27 2.45 Favored 'Trans proline' 0 C--N 1.387 2.605 0 C-N-CA 124.613 3.542 . . . . 64.0 115.527 -171.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -52.75 -45.84 67.22 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.228 0.611 . . . . 74.23 111.202 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.82 -26.96 62.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.686 1.194 . . . . 73.1 110.529 -171.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -74.11 -37.06 64.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.797 0.839 . . . . 74.21 110.326 173.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.415 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 12.5 m-20 -70.46 -28.4 64.98 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.863 0.465 . . . . 72.0 110.922 174.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.429 ' HE1' ' HB3' ' A' ' 53' ' ' LYS . 79.8 t80 -63.52 -36.14 82.79 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.834 0.854 . . . . 74.14 110.487 175.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.8 m -65.7 -28.65 69.22 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.66 -0.7 . . . . 75.34 111.69 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' A' ' 79' ' ' ASP . 49.6 mtmt -91.08 86.98 6.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.14 0.576 . . . . 71.25 109.716 -177.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.77 -179.23 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.26 1.024 . . . . 63.44 109.283 173.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.31 152.15 45.86 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.499 0.72 . . . . 73.21 109.554 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -59.09 -53.5 65.71 Favored Pre-proline 0 CA--C 1.569 1.694 0 C-N-CA 123.625 0.77 . . . . 72.44 112.692 -172.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 53.7 Cg_exo -57.29 -43.51 51.74 Favored 'Trans proline' 0 C--N 1.39 2.734 0 C-N-CA 122.163 1.909 . . . . 45.4 112.728 171.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.1 m -57.86 -33.56 68.8 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.595 1.158 . . . . 71.54 112.024 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.44 -45.42 83.9 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.958 0.903 . . . . 72.24 109.239 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -67.38 -31.15 71.19 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.961 -0.563 . . . . 75.11 111.414 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 23.5 mm-40 -66.4 -36.65 83.36 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.974 0.51 . . . . 72.25 111.105 175.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.665 HD23 HG23 ' A' ' 50' ' ' ILE . 97.6 mt -68.16 -35.77 78.6 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.487 0.715 . . . . 61.3 110.815 175.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.58 -46.03 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.364 0.666 . . . . 63.25 109.977 175.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.39 -38.68 92.09 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.852 0.861 . . . . 61.54 111.022 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.78 -37.52 70.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.685 0.794 . . . . 70.41 111.152 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.513 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -69.16 -29.03 66.97 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.397 0.679 . . . . 52.45 111.719 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -76.22 -50.02 15.6 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.882 0.873 . . . . 60.15 110.336 172.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -61.67 -36.34 80.55 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.34 1.056 . . . . 63.33 111.93 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.8 mt -99.54 -13.01 19.63 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.6 0.76 . . . . 70.14 111.119 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.1 t70 47.11 82.84 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.435 1.494 . . . . 65.24 112.09 -172.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.421 HG12 ' HA ' ' A' ' 24' ' ' SER . 38.5 mt -125.83 103.55 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 107.431 -1.322 . . . . 72.45 107.431 174.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -57.1 -46.64 99.84 Favored Pre-proline 0 CA--C 1.561 1.388 0 C-N-CA 124.095 0.958 . . . . 74.12 113.432 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.3 -38.39 94.95 Favored 'Trans proline' 0 C--N 1.397 3.094 0 C-N-CA 122.147 1.898 . . . . 74.15 113.516 174.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.513 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -70.71 -46.95 62.15 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.914 -0.773 . . . . 71.15 108.914 -179.165 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.3 tp -65.11 -47.91 75.5 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.632 -1.167 . . . . 73.03 111.012 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.15 -51.01 69.58 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 124.23 0.956 . . . . 72.33 110.736 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 37.6 t -61.09 -52.65 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 O-C-N 124.217 0.948 . . . . 70.31 112.373 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.483 HG21 ' HB2' ' A' ' 91' ' ' LEU . 31.1 m -68.96 -41.13 78.41 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 111.976 0.361 . . . . 63.11 111.976 -172.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 85.7 m -70.07 -30.61 67.9 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.039 0.536 . . . . 73.34 110.88 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' A' ' 109' ' ' LYS . 31.9 ttmt -73.52 -32.16 64.09 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.435 0.694 . . . . 74.24 110.068 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.1 m -62.91 -49.03 76.41 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.392 0.677 . . . . 64.21 111.399 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.05 -33.21 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 123.028 0.205 . . . . 54.31 110.453 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.25 -30.3 70.16 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.671 0.788 . . . . 74.03 111.797 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -79.12 -31.08 44.04 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.675 0.79 . . . . 51.21 110.671 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 41.1 mtm -70.53 -43.9 68.65 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.975 0.51 . . . . 71.12 110.472 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 pt -71.78 -32.73 45.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 N-CA-C 109.592 -0.521 . . . . 74.01 109.592 175.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 54.42 82.87 0.08 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.067 1.347 . . . . 73.55 111.703 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.251 0 CA-C-O 118.98 -0.9 . . . . 64.13 113.133 178.019 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.689 0.281 . . . . 75.33 110.436 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 80.5 mt -87.03 121.84 30.04 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.771 -0.65 . . . . 72.2 109.605 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' B' ' 38' ' ' ASP . 12.7 m -87.56 136.09 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.985 -0.746 . . . . 65.41 108.985 169.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.587 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 64.1 mttp -83.96 120.23 25.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.581 -0.736 . . . . 71.41 109.656 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.468 HD21 HD13 ' B' ' 27' ' ' ILE . 9.2 mp -109.7 95.54 5.67 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.683 0.793 . . . . 55.54 109.265 177.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.64 121.99 26.54 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.017 -0.735 . . . . 73.4 109.017 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -82.51 175.19 10.4 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 123.381 0.673 . . . . 75.12 111.114 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -64.33 -24.28 67.59 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.049 0.94 . . . . 64.44 111.17 172.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -85.63 5.79 30.29 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.817 0.847 . . . . 75.23 110.849 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 73.31 6.4 5.16 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.785 1.234 . . . . 75.24 112.822 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.06 128.54 37.94 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.029 0.531 . . . . 62.23 109.724 176.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 80.3 t -97.72 123.37 50.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 124.242 1.017 . . . . 71.0 110.334 -174.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.92 106.19 16.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.303 1.041 . . . . 73.44 109.171 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.587 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 40.3 mt-10 -77.89 83.13 4.23 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 123.228 0.611 . . . . 75.12 109.498 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.16 151.92 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.338 -0.846 . . . . 62.51 108.816 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.48 132.42 53.85 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 109.368 -0.604 . . . . 53.34 109.368 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -53.64 -39.82 65.32 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 124.119 0.887 . . . . 72.55 111.454 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.07 -35.92 78.24 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 124.058 0.849 . . . . 71.22 111.862 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 52.1 mt -76.73 -32.52 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 123.769 0.828 . . . . 73.44 110.333 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.36 -20.58 60.03 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.107 0.563 . . . . 52.12 112.036 176.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 74.4 m -74.05 -22.99 59.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.675 0.79 . . . . 72.33 111.679 175.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 81.9 mtp -61.5 -37.79 84.99 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.454 0.645 . . . . 51.42 110.203 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.432 ' HA ' HG12 ' B' ' 100' ' ' ILE . 48.4 t -73.55 112.97 10.14 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.563 -1.199 . . . . 71.32 108.579 169.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 97.3 t -63.81 -45.3 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 123.285 0.634 . . . . 74.04 111.324 -175.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 38.0 m -64.32 -48.71 74.57 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.202 0.601 . . . . 53.05 112.09 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.468 HD13 HD21 ' B' ' 6' ' ' LEU . 93.5 mt -62.99 -41.51 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 123.235 0.614 . . . . 72.33 110.26 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -56.35 -48.4 76.87 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.195 0.998 . . . . 73.04 110.331 174.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.92 -31.86 73.03 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.496 0.718 . . . . 70.05 111.284 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 60.6 mtt -64.53 -43.7 93.16 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.183 0.593 . . . . 63.21 110.639 177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.22 -43.01 88.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.577 -0.738 . . . . 74.3 110.067 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -70.42 -27.9 64.64 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.747 0.819 . . . . 65.31 112.04 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -70.16 -41.22 74.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.716 0.806 . . . . 70.14 110.234 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 57.7 mt -77.6 -14.49 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 CA-C-N 114.987 -1.006 . . . . 64.33 109.461 172.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.59 -73.1 0.9 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 110.741 -0.944 . . . . 53.34 110.741 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -137.48 107.13 6.19 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 108.389 -0.967 . . . . 73.14 108.389 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 38.4 p -142.03 106.61 4.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.255 0.622 . . . . 73.31 111.073 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.583 ' HA ' HG12 ' B' ' 4' ' ' VAL . 8.8 p-10 -91.54 -12.96 32.95 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.67 0.788 . . . . 73.22 110.045 169.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -58.87 151.91 51.86 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 124.73 1.212 . . . . 50.15 111.593 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.23 106.69 0.15 Allowed 'Trans proline' 0 C--N 1.386 2.504 0 C-N-CA 123.237 2.625 . . . . 44.31 113.777 -174.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -72.34 108.97 4.92 Favored Pre-proline 0 CA--C 1.555 1.137 0 N-CA-C 108.009 -1.108 . . . . 73.22 108.009 171.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.7 127.61 8.88 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.242 1.961 . . . . 72.12 110.834 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.1 mt -116.68 88.11 23.74 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.051 0.94 . . . . 73.05 108.666 -177.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -85.73 63.12 5.51 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 123.65 2.9 . . . . 63.54 111.679 -173.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -162.62 -56.8 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.009 -0.996 . . . . 73.33 108.882 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.52 128.46 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 115.382 -0.826 . . . . 74.13 110.119 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 77.4 p -79.86 174.76 11.26 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.216 0.607 . . . . 72.23 110.617 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 70.5 p -64.75 -48.18 75.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.445 0.698 . . . . 50.41 112.233 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -63.32 -39.01 93.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.735 0.814 . . . . 72.21 111.045 -176.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.664 HG23 HD23 ' B' ' 91' ' ' LEU . 50.2 mm -72.95 -46.7 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.232 -0.894 . . . . 41.24 109.719 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' B' ' 6' ' ' LEU . 45.2 tp -62.5 -34.83 77.64 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.572 0.749 . . . . 52.34 111.124 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -52.04 66.79 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.997 0.919 . . . . 64.21 109.952 176.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.412 ' HB3' ' HE1' ' B' ' 80' ' ' PHE . 28.4 mtmm -61.93 -41.65 98.19 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.087 -0.961 . . . . 71.2 111.802 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.35 -45.58 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 123.751 0.821 . . . . 72.42 110.86 -178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.4 -36.18 71.28 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 116.108 -0.496 . . . . 65.13 111.179 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' B' ' 59' ' ' ARG . 35.8 t70 -71.21 -35.46 71.52 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.834 0.709 . . . . 73.12 110.717 -177.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -65.52 -45.06 84.96 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 122.937 0.495 . . . . 74.24 109.88 174.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 92.7 m -62.43 -30.45 71.24 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.62 0.768 . . . . 72.43 111.74 177.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' B' ' 56' ' ' ASP . 90.4 mtt-85 -57.23 -53.75 54.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.081 0.553 . . . . 73.32 110.507 172.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -59.17 -43.35 92.14 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 123.653 0.596 . . . . 75.43 111.431 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -62.48 -33.65 75.28 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.984 0.803 . . . . 73.25 111.125 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -80.95 -46.96 14.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.495 0.718 . . . . 75.41 111.825 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -70.45 -27.94 64.64 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.023 0.929 . . . . 73.21 111.003 -174.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -121.05 85.22 40.64 Favored Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 107.2 -1.407 . . . . 74.41 107.2 171.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -53.73 97.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.386 2.504 0 C-N-CA 123.613 2.875 . . . . 70.13 113.203 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.59 -94.03 0.1 OUTLIER Glycine 0 C--N 1.332 0.354 0 N-CA-C 109.789 -1.324 . . . . 74.02 109.789 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.59 -140.91 12.32 Favored Glycine 0 C--N 1.348 1.234 0 C-N-CA 122.956 0.313 . . . . 72.53 113.05 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.8 m -77.1 103.82 7.25 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 123.574 0.75 . . . . 52.51 110.166 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.65 151.06 51.05 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 115.788 -0.642 . . . . 52.22 112.559 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.03 99.65 0.37 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.076 0.95 . . . . 74.52 109.63 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 26.5 t70 73.94 -5.4 2.04 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 125.829 1.652 . . . . 64.41 111.959 -176.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -73.69 -64.91 0.9 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.797 0.839 . . . . 73.11 109.544 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm 56.7 100.78 0.04 OUTLIER Pre-proline 0 CA--C 1.563 1.467 0 C-N-CA 125.033 1.333 . . . . 75.14 111.778 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.61 148.26 88.31 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.89 2.393 . . . . 62.04 113.19 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.63 -55.75 3.81 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 124.664 3.576 . . . . 53.05 115.459 -171.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -53.66 -46.87 70.73 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.342 0.657 . . . . 74.5 111.29 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.49 -27.05 63.91 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.647 1.179 . . . . 74.13 110.385 -172.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -74.27 -37.52 63.7 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.041 0.937 . . . . 44.21 110.38 173.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ASP . . . . . 0.474 ' HA ' ' HE2' ' B' ' 82' ' ' LYS . 13.7 m-20 -69.31 -30.45 68.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.796 0.439 . . . . 72.44 110.671 174.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.412 ' HE1' ' HB3' ' B' ' 53' ' ' LYS . 78.4 t80 -61.82 -36.43 81.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.143 0.977 . . . . 62.45 110.451 176.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 58.2 m -65.78 -28.98 69.42 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.644 -0.707 . . . . 63.13 111.653 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' B' ' 79' ' ' ASP . 49.0 mtmt -90.5 89.21 7.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.1 0.56 . . . . 73.1 109.515 -178.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -128.1 -179.78 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.436 1.094 . . . . 71.52 109.069 173.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.73 152.63 45.29 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.444 0.698 . . . . 74.15 109.488 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -59.2 -53.81 62.54 Favored Pre-proline 0 CA--C 1.569 1.704 0 CA-C-O 118.257 -0.878 . . . . 63.22 112.799 -172.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.431 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 53.7 Cg_exo -56.76 -43.71 52.05 Favored 'Trans proline' 0 C--N 1.392 2.85 0 C-N-CA 122.163 1.909 . . . . 72.15 112.463 171.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 87.5 m -57.75 -33.46 68.5 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.434 1.093 . . . . 73.3 112.209 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.74 -45.0 84.26 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.66 0.784 . . . . 71.54 109.25 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.411 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 35.0 m-85 -67.73 -31.14 70.85 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.879 -0.601 . . . . 75.54 111.324 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 33.2 mm-40 -66.54 -36.64 83.17 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.021 0.528 . . . . 74.3 111.107 176.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.664 HD23 HG23 ' B' ' 50' ' ' ILE . 97.6 mt -68.15 -35.34 77.93 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.626 0.77 . . . . 64.12 110.899 175.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.81 -46.22 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.452 0.701 . . . . 55.02 110.021 175.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 95.3 mt -63.43 -38.69 92.11 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.808 0.843 . . . . 72.35 110.911 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.72 -37.59 70.6 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.554 0.741 . . . . 51.02 111.077 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -69.28 -29.13 66.94 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.372 0.669 . . . . 51.22 111.65 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -76.39 -50.24 14.69 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.57 0.748 . . . . 75.01 110.136 172.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -61.4 -35.82 78.59 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.329 1.052 . . . . 64.31 111.881 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.6 mt -99.92 -12.81 19.49 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.7 0.8 . . . . 73.14 111.223 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 38.2 t70 47.53 81.31 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.696 1.598 . . . . 64.23 112.222 -173.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.432 HG12 ' HA ' ' B' ' 24' ' ' SER . 37.5 mt -124.71 103.11 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 107.445 -1.317 . . . . 74.33 107.445 175.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -56.79 -46.5 99.84 Favored Pre-proline 0 CA--C 1.562 1.406 0 C-N-CA 124.044 0.938 . . . . 74.05 113.472 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.55 -38.29 94.29 Favored 'Trans proline' 0 C--N 1.397 3.131 0 C-N-CA 122.049 1.833 . . . . 62.2 113.535 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' B' ' 95' ' ' ALA . 0.2 OUTLIER -70.75 -46.92 62.1 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.886 -0.783 . . . . 73.31 108.886 -179.145 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 38.8 tp -65.37 -47.69 75.51 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 114.594 -1.184 . . . . 64.04 111.086 -172.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.88 -51.76 66.86 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 124.065 0.853 . . . . 71.3 110.534 -175.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 37.5 t -60.61 -52.94 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 124.274 0.984 . . . . 53.1 112.421 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.491 HG21 ' HB2' ' B' ' 91' ' ' LEU . 31.2 m -68.59 -41.12 80.08 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 111.997 0.369 . . . . 64.53 111.997 -172.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.42 -29.97 66.72 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.961 0.504 . . . . 74.13 111.093 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -73.75 -32.87 64.05 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.599 0.759 . . . . 73.22 109.898 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 98.5 m -62.54 -49.42 75.39 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.711 0.804 . . . . 51.02 111.247 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 p -64.71 -33.18 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 122.997 0.186 . . . . 70.04 110.559 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.42 -28.78 67.37 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.599 0.76 . . . . 70.45 111.611 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -79.38 -31.73 42.92 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.644 0.778 . . . . 72.51 110.738 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 39.7 mtm -70.3 -42.63 71.77 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.051 0.54 . . . . 63.1 110.533 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.1 pt -72.75 -32.74 41.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 N-CA-C 109.679 -0.489 . . . . 64.55 109.679 175.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 53.54 83.91 0.06 Allowed 'General case' 0 C--N 1.36 1.028 0 C-N-CA 125.08 1.352 . . . . 75.11 111.655 175.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 CA-C-N 115.606 -0.725 . . . . 44.33 113.379 179.28 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 110.276 -0.268 . . . . 75.1 110.276 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.2 mt -91.07 123.42 34.52 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.742 0.817 . . . . 75.31 110.388 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 m -91.11 130.71 39.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 108.867 -0.79 . . . . 63.43 108.867 166.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.52 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 96.4 mttt -85.33 94.65 9.0 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.639 0.776 . . . . 73.14 109.793 -174.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.422 HD13 HD13 ' A' ' 27' ' ' ILE . 81.8 mt -93.17 92.49 7.79 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.681 -0.488 . . . . 63.21 109.681 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 43.2 tt0 -75.67 135.4 40.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.536 -0.756 . . . . 75.14 109.386 175.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.7 p -82.05 175.47 10.32 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 123.561 0.744 . . . . 74.21 110.765 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.0 p -63.98 -25.85 68.32 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.248 0.619 . . . . 73.34 110.532 170.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -83.57 8.67 13.45 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.203 1.001 . . . . 71.03 111.407 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 71.08 5.88 5.63 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.602 1.161 . . . . 71.1 113.72 172.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -92.15 123.49 35.54 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.511 -0.552 . . . . 71.15 109.511 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 46.4 t -87.63 124.02 40.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 123.676 0.791 . . . . 61.24 110.257 -175.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -110.14 101.54 10.32 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.002 0.921 . . . . 74.24 108.906 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.52 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 38.5 mt-10 -81.84 95.24 7.25 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.359 0.664 . . . . 70.24 109.462 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 tp -104.22 152.23 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.047 -1.094 . . . . 43.24 108.047 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.6 142.11 57.59 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.882 -0.414 . . . . 51.13 109.882 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.92 -40.89 97.52 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.461 0.704 . . . . 74.34 111.167 -174.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -56.04 -27.63 54.02 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.515 1.126 . . . . 53.02 112.486 176.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.4 mt -81.55 -45.86 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 124.081 0.952 . . . . 64.21 109.611 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.04 -9.44 58.63 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.041 0.936 . . . . 74.44 112.564 -175.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.3 m -69.88 -29.64 66.9 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.68 0.792 . . . . 45.15 111.494 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 50.8 mtm -66.09 -26.24 67.39 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.105 0.562 . . . . 74.32 110.486 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.6 t -74.19 102.76 4.38 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 107.937 -1.134 . . . . 73.41 107.937 167.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 74.9 t -59.22 -44.39 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.504 0.722 . . . . 50.33 111.129 -176.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.1 m -60.44 -51.64 68.6 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.396 0.679 . . . . 55.43 111.834 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.422 HD13 HD13 ' A' ' 6' ' ' LEU . 86.6 mt -64.91 -43.35 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.106 0.562 . . . . 64.52 110.808 -178.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -58.29 -48.18 81.28 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.614 0.766 . . . . 71.45 110.181 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -64.44 -32.68 74.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.796 0.839 . . . . 75.41 111.435 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.9 mtt -67.06 -43.52 82.44 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.935 0.494 . . . . 70.15 110.7 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.5 -44.37 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.48 0.712 . . . . 61.15 109.929 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -75.41 -25.0 57.22 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.807 0.843 . . . . 62.1 111.734 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.34 -40.49 74.07 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.738 0.815 . . . . 71.43 109.952 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.412 HG21 ' HB2' ' A' ' 37' ' ' SER . 59.8 mt -76.04 -26.49 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.19 -0.914 . . . . 74.1 109.789 172.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.52 -75.99 0.85 Allowed Glycine 0 C--N 1.346 1.125 0 N-CA-C 110.01 -1.236 . . . . 52.54 110.01 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -137.11 137.5 39.34 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.555 1.142 . . . . 60.22 108.347 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.412 ' HB2' HG21 ' A' ' 34' ' ' ILE . 40.0 t -149.58 107.28 3.67 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.326 0.65 . . . . 75.43 110.347 -176.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -83.58 -20.55 33.57 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.487 0.715 . . . . 63.12 110.27 175.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.5 p -65.17 139.79 97.72 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 123.385 0.674 . . . . 65.42 110.225 175.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -57.56 132.75 52.31 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.886 2.391 . . . . 51.42 112.298 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -87.45 107.23 14.09 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 108.107 -1.071 . . . . 75.21 108.107 176.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -90.0 122.28 1.03 Allowed 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.71 2.273 . . . . 73.34 112.021 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -98.95 101.16 11.43 Favored Pre-proline 0 CA--C 1.548 0.891 0 N-CA-C 108.58 -0.896 . . . . 71.5 108.58 175.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.77 50.63 3.22 Favored 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 123.107 2.538 . . . . 50.12 112.641 -175.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -148.39 -56.5 0.22 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.84 0.856 . . . . 72.0 109.419 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -80.93 121.12 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 CA-C-N 115.954 -0.567 . . . . 70.53 110.092 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.1 p -75.19 170.97 14.99 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.356 0.663 . . . . 73.42 110.574 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.8 p -65.79 -41.63 91.72 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.213 0.605 . . . . 74.12 111.45 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.1 m -58.34 -41.9 85.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.355 1.062 . . . . 62.53 111.16 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.631 HG23 HD23 ' A' ' 91' ' ' LEU . 44.5 mm -80.47 -46.14 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.572 -0.74 . . . . 71.21 110.556 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.34 -29.57 70.55 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.126 0.97 . . . . 71.44 111.075 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -51.92 -52.33 50.71 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.08 0.952 . . . . 73.33 110.191 171.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -77.75 -33.89 52.69 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.131 0.972 . . . . 71.44 112.574 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.545 HG11 HD12 ' A' ' 98' ' ' LEU . 54.9 t -59.83 -50.9 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 109.668 -0.493 . . . . 62.23 109.668 178.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.81 -26.11 59.49 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.658 0.783 . . . . 73.22 111.818 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.34 -53.13 61.31 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.186 0.594 . . . . 70.43 110.607 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -68.11 -36.46 79.79 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.857 0.723 . . . . 63.53 110.491 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.608 ' SG ' HD13 ' A' ' 100' ' ' ILE . 90.7 m -60.43 -42.88 96.99 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.163 0.289 . . . . 65.02 110.83 177.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -65.44 -44.65 86.62 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.018 -0.734 . . . . 71.41 109.018 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -57.54 -37.57 73.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.604 1.162 . . . . 71.02 111.824 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -79.44 -20.93 46.25 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.662 0.785 . . . . 64.3 110.88 -176.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -81.99 -38.15 25.55 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 116.303 -0.408 . . . . 74.11 109.907 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -71.41 -37.86 71.48 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.513 0.725 . . . . 74.31 110.205 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -126.1 101.39 28.86 Favored Pre-proline 0 N--CA 1.469 0.479 0 C-N-CA 124.647 1.179 . . . . 74.33 107.844 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -49.62 -25.42 11.07 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 124.156 3.238 . . . . 73.23 114.91 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.01 -43.11 0.92 Allowed Glycine 0 C--N 1.342 0.868 0 N-CA-C 111.164 -0.774 . . . . 31.54 111.164 176.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.33 -78.19 0.7 Allowed Glycine 0 C--N 1.352 1.42 0 N-CA-C 110.998 -0.841 . . . . 72.54 110.998 -177.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.6 m 61.41 26.89 16.59 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.84 1.256 . . . . 53.12 112.162 170.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.8 -61.75 5.32 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-N 115.983 -0.553 . . . . 74.31 112.102 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.4 tp -170.53 -55.28 0.02 OUTLIER 'General case' 0 C--N 1.351 0.642 0 C-N-CA 123.923 0.889 . . . . 71.21 110.111 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -94.75 31.43 1.82 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.077 0.951 . . . . 63.11 110.443 -171.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.74 59.6 4.23 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.728 0.811 . . . . 62.24 110.526 -173.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.5 mp -117.86 83.35 18.38 Favored Pre-proline 0 CA--C 1.552 1.054 0 N-CA-C 107.17 -1.418 . . . . 70.23 107.17 170.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.92 143.54 45.51 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.107 1.872 . . . . 73.24 111.82 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.57 -26.72 38.07 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 123.209 2.606 . . . . 62.12 113.06 173.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -58.43 -52.51 65.33 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.426 1.09 . . . . 62.23 110.269 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.47 -28.35 63.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.045 0.938 . . . . 74.14 111.116 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -66.1 -39.38 89.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.546 0.738 . . . . 75.4 110.544 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.93 -29.26 60.91 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.494 0.718 . . . . 71.23 110.96 174.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -64.88 -39.86 94.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.866 0.866 . . . . 64.41 110.433 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.0 m -73.54 -6.25 45.29 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.983 0.913 . . . . 72.5 112.642 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -80.07 77.01 6.79 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.236 0.541 . . . . 74.21 109.984 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.4 m -137.37 175.44 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.933 0.893 . . . . 73.33 109.769 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -75.47 163.48 27.35 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.103 0.561 . . . . 72.13 111.112 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.424 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 56.7 tp60 -62.01 -48.4 88.66 Favored Pre-proline 0 CA--C 1.562 1.425 0 CA-C-O 118.252 -0.88 . . . . 63.51 111.418 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.437 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 31.4 Cg_exo -60.9 -40.82 49.94 Favored 'Trans proline' 0 C--N 1.401 3.332 0 C-N-CA 121.973 1.782 . . . . 43.55 111.928 173.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 26.6 m -60.47 -36.02 77.29 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.12 0.968 . . . . 75.02 111.549 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 mt -55.44 -46.3 76.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.422 0.689 . . . . 64.24 110.539 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' B' ' 89' ' ' PHE . 66.7 m-85 -70.8 -34.25 71.55 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.851 -0.613 . . . . 73.45 111.416 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 10.1 mm-40 -64.66 -33.96 77.16 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.011 0.524 . . . . 75.22 110.635 177.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.631 HD23 HG23 ' A' ' 50' ' ' ILE . 96.1 mt -69.16 -38.98 79.04 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.299 0.64 . . . . 74.42 110.512 175.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.46 -43.03 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.727 0.811 . . . . 53.0 110.526 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 91.8 mt -68.27 -40.01 82.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.487 0.715 . . . . 74.52 110.618 -177.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.32 66.95 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.401 0.68 . . . . 74.25 111.401 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.473 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.34 -34.7 68.24 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.281 0.632 . . . . 64.05 111.022 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -73.98 -37.4 64.46 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.678 0.791 . . . . 54.21 110.024 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -66.39 -40.4 89.63 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.884 0.874 . . . . 64.22 111.009 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.545 HD12 HG11 ' A' ' 54' ' ' VAL . 86.4 mt -95.91 -3.58 45.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.274 0.63 . . . . 74.13 111.632 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.54 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 2.9 t70 60.42 30.14 19.56 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.315 1.446 . . . . 72.33 111.825 175.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.608 HD13 ' SG ' ' A' ' 58' ' ' CYS . 46.1 mt -81.79 91.51 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 108.708 -0.849 . . . . 75.05 108.708 176.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -59.87 -42.62 91.77 Favored Pre-proline 0 CA--C 1.56 1.349 0 CA-C-N 114.517 -1.22 . . . . 73.13 112.436 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.7 -53.18 6.92 Favored 'Trans proline' 0 C--N 1.403 3.432 0 C-N-CA 122.633 2.222 . . . . 72.11 113.35 173.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.4 tm? -68.18 -39.21 82.59 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.042 0.537 . . . . 60.12 110.33 -176.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.594 HD21 HD21 ' B' ' 104' ' ' LEU . 59.9 tp -58.54 -47.49 84.02 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.79 0.836 . . . . 73.23 110.412 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.1 -50.85 60.16 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.089 0.868 . . . . 72.22 110.71 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.1 -47.79 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.526 0.73 . . . . 73.12 111.452 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.427 HG21 ' HB2' ' A' ' 91' ' ' LEU . 35.8 m -68.94 -42.35 76.86 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.712 0.405 . . . . 62.41 111.319 -177.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.1 m -65.71 -33.61 76.27 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.665 0.386 . . . . 73.14 111.11 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.42 -37.23 71.49 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.571 0.748 . . . . 75.55 110.017 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -61.83 -45.87 91.93 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.775 0.83 . . . . 74.54 111.015 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 107' ' ' THR . 42.1 t -65.77 -37.53 80.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.863 0 CA-C-N 115.914 -0.585 . . . . 74.52 109.914 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.22 -35.37 80.26 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.349 -0.842 . . . . 75.32 110.969 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.38 -33.16 75.22 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.73 0.812 . . . . 63.55 111.27 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 35.8 mtm -66.84 -38.01 85.57 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.737 -0.665 . . . . 64.13 110.965 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.4 pt -92.92 -8.74 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.856 0.463 . . . . 70.43 111.422 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.01 91.77 1.6 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.243 0.617 . . . . 74.44 110.794 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.186 0 CA-C-N 115.095 -0.957 . . . . 55.11 111.403 170.534 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.373 -0.232 . . . . 74.55 110.373 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.0 mt -90.74 122.55 33.59 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.743 0.817 . . . . 70.22 110.514 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 m -90.49 131.1 38.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 N-CA-C 108.7 -0.852 . . . . 73.24 108.7 167.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.49 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 96.5 mttt -85.82 94.69 9.21 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.569 0.748 . . . . 72.31 109.976 -174.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.415 HD13 HD13 ' B' ' 27' ' ' ILE . 81.4 mt -93.37 92.72 7.8 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.685 -0.487 . . . . 61.3 109.685 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.491 ' HA ' ' HA ' ' B' ' 13' ' ' VAL . 43.1 tt0 -75.97 135.8 40.03 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.669 -0.696 . . . . 74.42 109.702 175.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 63.1 p -83.17 175.64 9.8 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.574 0.75 . . . . 74.32 110.561 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 55.9 p -65.21 -23.39 67.07 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.267 0.627 . . . . 74.31 110.777 171.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -85.62 8.25 20.22 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.305 1.042 . . . . 64.34 111.171 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 71.01 7.33 6.18 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 125.061 1.344 . . . . 73.21 113.742 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -92.67 123.46 35.97 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.12 -0.696 . . . . 62.44 109.12 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' B' ' 7' ' ' GLU . 47.6 t -87.84 123.34 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.009 0.924 . . . . 51.23 110.229 -175.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -109.2 102.43 11.37 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.013 0.925 . . . . 74.13 108.76 175.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.49 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 37.6 mt-10 -81.79 94.94 7.14 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.3 0.64 . . . . 70.23 109.955 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 tp -104.5 152.17 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.061 -1.089 . . . . 52.51 108.061 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.11 143.19 57.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.995 -0.372 . . . . 71.42 109.995 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.37 -40.95 96.84 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.71 0.804 . . . . 73.12 110.841 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.46 -27.65 57.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.478 1.111 . . . . 73.44 112.115 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -81.69 -45.63 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.906 0.882 . . . . 75.03 109.722 175.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.26 -9.36 58.53 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.13 0.972 . . . . 74.02 112.617 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 95.4 m -71.16 -27.03 63.26 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.545 0.738 . . . . 74.32 111.545 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 50.2 mtm -66.71 -29.31 69.27 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.075 0.55 . . . . 71.42 110.19 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -71.41 103.02 2.78 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.121 -1.066 . . . . 70.44 108.121 167.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 88.3 t -59.89 -43.78 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.361 0.664 . . . . 75.41 111.099 -175.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.8 m -60.87 -51.37 69.57 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.337 0.655 . . . . 74.43 111.766 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.415 HD13 HD13 ' B' ' 6' ' ' LEU . 85.8 mt -64.83 -43.77 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 123.189 0.596 . . . . 63.0 110.848 -178.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -57.98 -48.33 80.31 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.017 0.823 . . . . 74.55 110.364 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -64.45 -32.21 73.74 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.812 0.845 . . . . 75.12 111.4 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 60.3 mtt -67.57 -43.3 80.96 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.985 0.514 . . . . 73.43 110.533 176.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.51 -45.54 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.473 0.709 . . . . 72.05 109.786 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -73.48 -26.33 60.86 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.025 0.93 . . . . 62.21 111.726 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.08 -41.54 77.38 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.49 0.716 . . . . 65.03 110.092 176.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.402 HG21 ' HB2' ' B' ' 37' ' ' SER . 61.7 mt -75.48 -26.15 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 CA-C-N 115.189 -0.914 . . . . 72.34 109.872 173.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.87 -77.07 0.9 Allowed Glycine 0 C--N 1.348 1.23 0 N-CA-C 109.865 -1.294 . . . . 65.35 109.865 -173.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -137.12 136.14 38.03 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.233 1.013 . . . . 72.45 108.598 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.402 ' HB2' HG21 ' B' ' 34' ' ' ILE . 31.5 t -147.79 109.24 4.35 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.253 0.621 . . . . 62.54 109.804 -176.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -84.81 -20.91 30.21 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.569 0.748 . . . . 74.31 110.396 174.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.3 p -63.9 140.37 97.83 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.51 0.724 . . . . 63.32 110.455 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -58.27 131.67 44.4 Favored 'Trans proline' 0 C--N 1.381 2.247 0 C-N-CA 122.709 2.273 . . . . 53.34 112.236 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -86.53 107.38 13.47 Favored Pre-proline 0 CA--C 1.554 1.102 0 N-CA-C 108.222 -1.029 . . . . 75.24 108.222 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -90.21 122.44 0.98 Allowed 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.568 2.179 . . . . 71.44 111.827 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -98.76 101.64 12.62 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 123.953 0.901 . . . . 62.4 108.611 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -84.58 51.26 3.19 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 123.14 2.56 . . . . 64.54 112.33 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -149.0 -56.47 0.2 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.728 0.811 . . . . 72.4 109.445 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -81.14 121.24 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 CA-C-N 116.1 -0.5 . . . . 71.12 110.242 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 80.4 p -74.62 170.63 15.4 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.768 0.827 . . . . 64.2 110.628 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 84.7 p -67.09 -40.65 86.99 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.993 0.517 . . . . 74.41 111.296 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 61.9 m -58.73 -41.48 86.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.142 0.977 . . . . 71.42 111.08 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.611 HG23 HD23 ' B' ' 91' ' ' LEU . 44.5 mm -80.66 -45.81 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 115.784 -0.643 . . . . 72.24 110.421 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 tp -62.41 -29.29 70.39 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.005 0.922 . . . . 73.11 111.226 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -52.1 -52.49 51.1 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.155 0.982 . . . . 72.04 110.147 171.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -77.56 -34.04 53.84 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.029 0.932 . . . . 72.03 112.567 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.568 HG11 HD12 ' B' ' 98' ' ' LEU . 54.1 t -59.6 -50.73 78.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 109.734 -0.469 . . . . 63.23 109.734 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 86.9 mt -75.0 -26.43 59.54 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.667 0.787 . . . . 74.43 111.784 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.79 -51.67 67.34 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.239 0.615 . . . . 74.35 110.491 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -67.69 -37.33 82.17 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 116.051 -0.522 . . . . 73.31 110.564 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.61 ' SG ' HD13 ' B' ' 100' ' ' ILE . 90.4 m -60.29 -42.82 96.27 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 123.072 0.232 . . . . 63.11 110.792 178.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -64.76 -45.2 87.38 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.045 -0.724 . . . . 72.43 109.045 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -57.83 -37.37 73.7 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.53 1.132 . . . . 64.13 111.71 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -79.36 -20.9 46.61 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.737 0.815 . . . . 74.12 110.854 -175.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -81.65 -38.79 25.37 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.817 -0.438 . . . . 64.44 109.817 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -71.39 -38.05 71.53 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.665 0.786 . . . . 60.52 110.015 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -125.42 101.34 31.05 Favored Pre-proline 0 N--CA 1.471 0.609 0 C-N-CA 124.914 1.286 . . . . 75.02 107.9 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -49.91 -25.53 12.35 Favored 'Trans proline' 0 C--N 1.387 2.569 0 C-N-CA 124.171 3.247 . . . . 74.13 114.808 -175.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.5 -43.61 0.87 Allowed Glycine 0 C--N 1.339 0.696 0 N-CA-C 111.163 -0.775 . . . . 61.23 111.163 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.01 -77.55 0.82 Allowed Glycine 0 C--N 1.351 1.37 0 N-CA-C 110.991 -0.844 . . . . 62.55 110.991 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.2 m 60.63 27.53 17.24 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.926 1.29 . . . . 63.3 112.531 170.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.6 -63.33 4.14 Favored Glycine 0 C--N 1.346 1.119 0 CA-C-N 115.757 -0.656 . . . . 74.3 112.308 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 66.6 tp -169.41 -55.56 0.02 OUTLIER 'General case' 0 C--N 1.351 0.631 0 C-N-CA 123.647 0.779 . . . . 61.34 109.886 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -95.13 35.63 1.27 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.249 1.02 . . . . 73.31 110.119 -172.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -92.99 57.89 2.86 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.565 0.746 . . . . 71.24 110.94 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.5 mp -116.87 83.24 14.17 Favored Pre-proline 0 CA--C 1.551 0.991 0 N-CA-C 107.226 -1.398 . . . . 73.14 107.226 170.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.43 143.07 46.57 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.057 1.838 . . . . 72.12 111.728 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.01 -26.82 33.45 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.219 2.613 . . . . 73.43 112.879 172.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -58.53 -52.32 66.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.432 1.093 . . . . 65.03 110.5 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.45 -28.27 63.84 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.971 0.908 . . . . 71.45 111.343 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -65.83 -40.22 91.57 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.624 0.77 . . . . 75.31 110.634 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.04 -30.66 62.53 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.483 0.713 . . . . 74.1 110.808 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.96 -39.71 95.49 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.485 0.714 . . . . 74.44 110.493 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 71.9 m -73.86 -6.73 48.95 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.117 -0.947 . . . . 71.22 112.377 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -79.75 76.3 6.42 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.022 0.529 . . . . 75.4 110.093 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.3 m -137.08 173.64 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.967 0.907 . . . . 71.44 109.787 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.23 164.44 26.68 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.203 0.601 . . . . 71.11 110.89 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.419 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 54.1 tp60 -63.01 -48.35 84.72 Favored Pre-proline 0 CA--C 1.557 1.232 0 CA-C-O 118.229 -0.891 . . . . 72.31 111.571 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 32.3 Cg_exo -60.17 -40.99 55.2 Favored 'Trans proline' 0 C--N 1.403 3.399 0 C-N-CA 122.061 1.84 . . . . 72.03 111.988 173.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.7 m -61.09 -35.84 78.05 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.368 1.067 . . . . 71.44 111.549 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 37.4 mt -55.73 -46.39 77.8 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.358 0.663 . . . . 62.14 110.568 173.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' A' ' 89' ' ' PHE . 66.6 m-85 -70.58 -34.44 72.18 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.693 0.621 . . . . 70.32 111.376 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 17.2 mm-40 -64.07 -34.54 78.26 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.139 0.576 . . . . 72.52 110.803 177.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.611 HD23 HG23 ' B' ' 50' ' ' ILE . 96.1 mt -68.99 -38.82 79.53 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.404 0.681 . . . . 74.44 110.421 175.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 86.1 mt -65.62 -42.92 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 123.666 0.786 . . . . 63.21 110.524 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 90.5 mt -68.28 -40.24 81.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.487 0.715 . . . . 74.23 110.637 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.79 -32.29 67.48 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.54 0.736 . . . . 43.0 111.381 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.482 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -72.55 -34.08 67.27 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.339 0.656 . . . . 73.44 111.083 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -73.96 -38.95 64.05 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.657 0.783 . . . . 74.23 110.122 175.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.07 -40.91 95.35 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.106 0.962 . . . . 73.41 111.059 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.568 HD12 HG11 ' B' ' 54' ' ' VAL . 86.0 mt -95.58 -4.61 44.31 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.51 0.724 . . . . 74.35 111.623 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.54 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 1.8 t70 62.06 29.26 17.6 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 125.28 1.432 . . . . 44.43 111.734 174.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.61 HD13 ' SG ' ' B' ' 58' ' ' CYS . 45.5 mt -81.51 92.32 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 108.801 -0.814 . . . . 73.53 108.801 176.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -60.54 -42.53 88.85 Favored Pre-proline 0 CA--C 1.56 1.342 0 CA-C-N 114.654 -1.157 . . . . 64.1 112.477 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.06 -52.63 7.92 Favored 'Trans proline' 0 C--N 1.403 3.415 0 C-N-CA 122.605 2.204 . . . . 75.53 113.353 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.4 tm? -68.37 -39.67 81.69 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 122.965 0.506 . . . . 53.22 110.301 -176.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.594 HD21 HD21 ' A' ' 104' ' ' LEU . 59.3 tp -58.06 -47.51 82.94 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.834 0.853 . . . . 73.04 110.527 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -67.2 -50.82 59.46 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 124.103 0.877 . . . . 71.13 110.73 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.13 -48.05 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.539 0.736 . . . . 70.2 111.394 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.425 HG21 ' HB2' ' B' ' 91' ' ' LEU . 36.1 m -68.59 -42.57 78.02 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 122.723 0.409 . . . . 73.01 111.361 -176.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 94.2 m -65.32 -34.15 77.66 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.742 0.417 . . . . 74.44 111.089 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.1 -36.47 72.2 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.616 0.767 . . . . 62.53 110.234 175.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 99.8 m -62.59 -46.0 90.34 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.698 0.799 . . . . 60.51 110.896 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 107' ' ' THR . 42.7 t -65.56 -36.98 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 123.142 0.577 . . . . 71.21 110.055 177.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.84 81.2 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.289 -0.869 . . . . 64.03 110.924 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -64.55 -32.45 74.11 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.554 0.742 . . . . 72.42 111.185 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 34.9 mtm -67.49 -38.35 84.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.944 -0.571 . . . . 74.43 110.782 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.2 pt -91.42 -10.24 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 122.81 0.444 . . . . 61.21 111.468 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.86 93.24 1.31 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.092 0.557 . . . . 73.32 110.847 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.378 0 CA-C-N 114.848 -1.069 . . . . 71.03 111.879 170.572 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.05 0.452 . . . . 75.42 110.338 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.2 mt -102.49 119.26 38.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.021 0.928 . . . . 61.43 110.342 -174.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.6 m -70.32 111.37 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 108.458 -0.941 . . . . 75.4 108.458 168.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.538 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 93.4 mttt -81.75 81.57 7.74 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.964 -1.016 . . . . 70.42 109.481 -174.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.416 HD23 ' HB ' ' A' ' 41' ' ' ILE . 85.8 mt -79.06 84.84 5.02 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 114.618 -1.173 . . . . 73.21 110.205 -176.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 42.8 tt0 -75.27 118.93 18.72 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.126 -0.943 . . . . 63.53 108.978 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 p -67.45 175.52 2.76 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.724 0.81 . . . . 41.43 111.748 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 p -65.41 -25.1 67.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.416 0.686 . . . . 64.03 110.738 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.05 0.37 32.14 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.246 1.018 . . . . 72.32 111.187 175.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 73.39 10.7 4.99 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.133 1.373 . . . . 73.34 113.164 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -84.54 123.21 30.04 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.474 -0.565 . . . . 72.54 109.474 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 40.6 t -88.2 109.08 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 123.784 0.834 . . . . 74.23 110.375 -172.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -92.23 90.89 7.48 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.584 0.754 . . . . 75.53 109.521 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 35.5 mt-10 -77.58 86.13 3.92 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.924 -1.034 . . . . 64.42 109.106 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.446 HD11 HG21 ' A' ' 20' ' ' ILE . 17.7 tt -110.74 152.6 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 115.066 -0.97 . . . . 73.4 108.854 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HB2' HG13 ' A' ' 20' ' ' ILE . 38.2 mt-10 -61.7 137.39 58.24 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.944 0.498 . . . . 63.41 110.36 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -65.69 -31.35 72.31 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.399 0.437 . . . . 64.33 110.868 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.85 -23.98 67.57 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.563 0.745 . . . . 61.53 112.152 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.539 HG13 ' HB2' ' A' ' 17' ' ' GLU . 46.2 mt -80.16 -44.05 22.38 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 121.41 0.624 . . . . 74.41 109.39 172.058 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.62 8.31 4.55 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.243 1.017 . . . . 53.54 112.625 -178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.0 m -75.26 -28.03 59.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.183 0.593 . . . . 74.1 110.978 168.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.47 -25.3 65.82 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.037 0.535 . . . . 74.01 110.224 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.0 m -73.39 101.8 3.57 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.345 -0.843 . . . . 63.12 108.828 163.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.455 HG13 ' HE3' ' A' ' 28' ' ' LYS . 97.6 t -67.12 -34.86 72.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 116.011 -0.54 . . . . 73.35 110.241 176.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.1 m -64.02 -48.22 77.2 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.646 0.378 . . . . 75.22 110.679 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.81 -48.36 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 123.576 0.547 . . . . 74.41 110.54 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.556 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 17.2 pttp -60.12 -43.51 95.58 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 123.626 0.579 . . . . 61.35 109.667 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -58.86 -44.77 91.09 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 123.627 0.771 . . . . 72.4 111.061 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 71.5 mtm -60.55 -43.01 97.72 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 124.123 0.889 . . . . 74.41 110.573 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.5 mt -66.44 -32.88 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.634 0.774 . . . . 64.23 110.653 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 47.0 mt-10 -76.26 -33.93 59.16 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.327 0.651 . . . . 72.45 111.202 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -71.52 -44.18 65.1 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.188 0.518 . . . . 73.15 110.241 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.9 mt -71.58 -30.33 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.035 -0.984 . . . . 70.23 109.823 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.51 -60.09 1.84 Allowed Glycine 0 C--N 1.343 0.924 0 N-CA-C 110.901 -0.88 . . . . 75.43 110.901 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -136.29 98.09 3.76 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.158 0.983 . . . . 73.11 109.458 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.601 ' HB3' HD11 ' A' ' 41' ' ' ILE . 44.0 m -95.45 68.59 2.99 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.61 0.764 . . . . 74.11 110.043 177.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.11 -28.2 62.13 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.503 -0.771 . . . . 72.13 110.458 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.7 m -65.38 150.48 95.74 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 124.189 0.996 . . . . 45.41 111.714 176.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.26 130.3 35.42 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 122.882 2.388 . . . . 63.11 111.369 175.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.601 HD11 ' HB3' ' A' ' 37' ' ' SER . 50.7 mm -91.4 107.94 25.33 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 123.412 0.685 . . . . 61.03 109.69 -177.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.46 142.54 21.02 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 121.831 1.688 . . . . 64.42 110.98 173.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -123.59 84.71 53.14 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 106.88 -1.526 . . . . 43.1 106.88 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -83.48 52.34 3.83 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 123.55 2.833 . . . . 75.21 112.595 -170.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -149.5 -58.32 0.2 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.482 1.113 . . . . 61.03 108.549 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -84.15 129.02 38.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 115.397 -0.82 . . . . 64.11 110.695 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.8 p -77.37 171.08 15.44 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.296 1.038 . . . . 72.32 110.789 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.2 p -69.59 -41.94 75.11 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.565 0.346 . . . . 70.24 111.852 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.6 m -57.57 -43.79 84.83 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.045 0.938 . . . . 62.31 111.011 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.501 HG23 HD23 ' A' ' 91' ' ' LEU . 48.1 mm -79.91 -44.99 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.151 -0.931 . . . . 71.23 110.453 -174.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.4 -30.08 70.86 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.313 0.645 . . . . 73.24 110.774 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.33 -48.96 79.49 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.405 0.682 . . . . 72.11 109.621 175.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.611 ' HD2' HD21 ' A' ' 91' ' ' LEU . 58.5 mttm -61.71 -51.94 66.31 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.107 0.879 . . . . 62.42 111.163 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 50' ' ' ILE . 48.3 t -61.2 -45.48 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-N 115.516 -0.766 . . . . 73.42 110.544 -173.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' HB3' HD12 ' A' ' 16' ' ' ILE . 73.5 mt -74.06 -29.11 61.73 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.294 0.638 . . . . 72.14 112.413 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -72.59 -36.8 68.23 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.694 0.398 . . . . 73.04 110.206 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -71.36 -36.55 71.52 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.027 -0.533 . . . . 75.42 110.038 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.654 ' SG ' HD13 ' A' ' 100' ' ' ILE . 98.8 m -61.39 -40.48 94.51 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.493 0.496 . . . . 54.1 110.615 174.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 48.5 ttp180 -61.6 -46.96 87.64 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.626 -0.715 . . . . 74.0 110.022 176.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -59.17 -43.48 92.12 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.158 0.983 . . . . 73.23 111.885 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -74.62 -21.01 59.68 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.886 0.874 . . . . 74.32 110.878 -178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.41 ' CG ' HG12 ' A' ' 20' ' ' ILE . 75.6 t60 -80.61 -36.03 33.29 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 110.053 -0.351 . . . . 71.42 110.053 174.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 65.5 mt-30 -70.93 -34.43 71.49 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.802 0.841 . . . . 73.03 110.301 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -137.74 85.69 19.8 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.207 1.003 . . . . 75.23 109.415 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.08 -77.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.546 2.164 . . . . 73.03 111.101 173.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.91 -128.57 21.54 Favored Glycine 0 C--N 1.359 1.828 0 C-N-CA 123.976 0.798 . . . . 55.4 113.84 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.26 -0.62 56.99 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.714 -0.555 . . . . 74.13 111.714 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.8 m 68.06 -151.38 0.16 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.999 1.32 . . . . 73.04 110.451 -176.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.04 -29.78 73.67 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 119.537 -0.59 . . . . 64.33 113.778 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.9 mt 58.17 -86.2 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.131 1.372 . . . . 64.2 111.387 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -141.96 -16.64 0.77 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.024 1.33 . . . . 70.44 109.866 175.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.85 -56.59 19.83 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.813 1.245 . . . . 71.41 110.466 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.8 mm 60.07 96.63 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.017 1.327 . . . . 72.12 110.562 -176.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -58.53 153.76 46.39 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.815 2.343 . . . . 55.4 112.602 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -51.8 -48.36 21.84 Favored 'Trans proline' 0 C--N 1.38 2.208 0 C-N-CA 123.999 3.133 . . . . 71.53 113.104 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -54.14 -50.95 65.79 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.766 0.666 . . . . 74.53 111.247 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.67 -32.97 74.13 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.07 0.856 . . . . 72.11 111.431 -173.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 52.7 ttp180 -74.78 -55.09 6.21 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.321 -0.4 . . . . 71.14 110.177 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.3 -33.07 67.3 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 123.999 0.919 . . . . 71.34 111.622 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -61.29 -51.67 67.91 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.494 1.117 . . . . 75.1 110.292 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 81.8 m -76.58 -13.55 60.07 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.433 -0.803 . . . . 44.24 111.663 -175.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 78' ' ' ARG . 31.8 mmmt -75.17 84.69 2.38 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.106 -0.702 . . . . 65.04 109.106 172.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -125.37 171.13 14.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 124.64 1.176 . . . . 73.53 109.386 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.83 167.03 21.78 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.37 0.668 . . . . 74.1 110.384 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 55.7 tp60 -59.56 -51.28 82.28 Favored Pre-proline 0 CA--C 1.567 1.623 0 N-CA-C 113.391 0.886 . . . . 73.25 113.391 -169.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 23.9 Cg_exo -65.29 -32.98 50.07 Favored 'Trans proline' 0 C--N 1.391 2.808 0 C-N-CA 121.998 1.799 . . . . 65.5 112.075 174.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.6 m -66.04 -32.43 73.89 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.954 0.902 . . . . 71.33 111.213 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 85' ' ' GLN . 79.2 mt -56.33 -49.67 73.65 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.963 0.905 . . . . 72.03 109.729 172.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -69.48 -34.33 74.18 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.091 -0.958 . . . . 74.45 111.443 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -61.32 -40.75 95.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.081 0.553 . . . . 65.11 111.202 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.611 HD21 ' HD2' ' A' ' 53' ' ' LYS . 83.7 mt -73.47 -32.89 64.57 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.58 0.752 . . . . 73.42 111.437 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.95 -43.94 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 123.373 0.669 . . . . 61.24 109.794 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.4 -40.2 77.49 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.746 0.818 . . . . 65.12 110.901 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.86 76.51 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.863 0.865 . . . . 33.13 111.719 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.558 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -68.36 -40.38 81.48 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.381 -0.827 . . . . 75.31 111.008 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -70.37 -32.72 70.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.225 0.61 . . . . 72.33 110.385 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -62.45 -44.0 97.47 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.253 1.021 . . . . 74.35 111.178 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.7 mt -98.61 -4.73 33.31 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.944 0.497 . . . . 63.0 111.887 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.9 t0 51.58 50.17 19.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.185 1.394 . . . . 70.44 111.593 -173.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.654 HD13 ' SG ' ' A' ' 58' ' ' CYS . 58.6 mt -88.05 91.7 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 114.595 -1.184 . . . . 62.14 108.215 171.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 102' ' ' PRO . 53.4 mttm -62.5 -43.04 83.17 Favored Pre-proline 0 CA--C 1.557 1.249 0 CA-C-N 114.35 -1.296 . . . . 74.33 112.997 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 9.6 Cg_endo -52.49 -41.37 68.16 Favored 'Trans proline' 0 C--N 1.4 3.282 0 C-N-CA 122.363 2.042 . . . . 53.12 113.469 174.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.558 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.6 tm? -81.06 -42.0 21.72 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.674 0.39 . . . . 73.24 110.106 -178.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.656 HD21 HD21 ' B' ' 104' ' ' LEU . 48.7 tp -58.5 -48.62 80.21 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.813 0.845 . . . . 74.31 110.888 -176.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.52 -51.7 68.34 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.316 1.01 . . . . 71.03 110.407 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.98 -40.82 90.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 115.674 -0.694 . . . . 74.22 111.865 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -70.3 -36.2 74.18 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 120.918 0.39 . . . . 65.11 110.976 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 71.3 m -69.62 -29.25 66.71 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.181 0.592 . . . . 73.35 110.697 174.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.64 -31.5 59.85 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.249 0.62 . . . . 72.01 110.597 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.5 m -65.67 -45.75 81.72 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.473 0.709 . . . . 65.52 110.936 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -68.7 -32.15 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 116.216 -0.447 . . . . 52.42 110.322 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.63 -25.21 62.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.294 0.638 . . . . 50.54 111.592 173.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HA ' ' HB2' ' A' ' 116' ' ' ARG . 14.3 m-80 -67.73 -26.6 66.22 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.799 0.44 . . . . 74.15 111.025 176.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 69.3 mtm -72.6 -29.05 63.17 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.845 0.458 . . . . 75.15 111.108 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 37.5 pt -101.88 -1.92 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.507 0.723 . . . . 63.33 111.62 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.48 ' HB2' ' HA ' ' A' ' 113' ' ' ASN . 32.2 tpt180 -59.41 99.86 0.07 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.191 0.997 . . . . 52.31 111.212 -176.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.814 -0.992 . . . . 53.41 112.145 176.058 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.026 0.441 . . . . 71.44 110.477 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -99.1 119.08 37.25 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.27 -0.877 . . . . 74.4 110.354 -174.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.5 m -70.01 110.99 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.485 -0.932 . . . . 73.25 108.485 168.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.547 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 92.6 mttt -81.38 81.84 7.4 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.876 -1.056 . . . . 74.45 109.3 -174.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.0 mt -79.42 84.99 5.25 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 114.728 -1.123 . . . . 64.23 110.19 -176.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' B' ' 13' ' ' VAL . 39.9 tt0 -75.55 119.15 19.21 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.245 -0.889 . . . . 50.13 108.97 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.9 p -67.8 174.4 3.67 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.845 0.858 . . . . 61.33 111.597 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.8 p -64.52 -25.67 68.09 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.537 0.735 . . . . 63.25 110.794 172.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.73 -1.3 33.9 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.363 1.065 . . . . 75.22 111.478 175.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 74.7 11.92 3.78 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.293 1.437 . . . . 74.43 113.142 173.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -85.75 123.7 31.42 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.488 -0.56 . . . . 65.25 109.488 172.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.472 ' HA ' ' HA ' ' B' ' 7' ' ' GLU . 40.1 t -88.36 109.34 19.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.047 0.939 . . . . 60.21 110.193 -172.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -92.49 91.61 7.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.385 0.674 . . . . 74.43 109.443 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.547 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.1 mt-10 -78.56 84.98 4.65 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.177 -0.92 . . . . 73.42 109.541 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.455 HD11 HG21 ' B' ' 20' ' ' ILE . 17.6 tt -109.91 152.19 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.072 0.949 . . . . 73.45 108.924 -176.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.518 ' HB2' HG13 ' B' ' 20' ' ' ILE . 40.5 mt-10 -61.61 136.81 58.15 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.901 0.48 . . . . 63.43 110.289 -178.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -65.19 -30.87 71.81 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 123.468 0.48 . . . . 70.43 110.826 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.93 -22.99 67.17 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.387 0.675 . . . . 62.12 112.246 176.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.518 HG13 ' HB2' ' B' ' 17' ' ' GLU . 46.8 mt -80.53 -43.71 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.376 0.67 . . . . 73.35 109.526 171.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.03 8.22 5.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.235 1.014 . . . . 60.54 112.438 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.2 m -74.82 -29.79 61.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.073 0.549 . . . . 74.22 110.808 168.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 71.0 mtm -65.8 -25.7 67.36 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 122.994 0.517 . . . . 74.25 110.407 173.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 72.4 m -72.99 101.68 3.29 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 108.855 -0.794 . . . . 74.05 108.855 163.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.463 HG13 ' HE3' ' B' ' 28' ' ' LYS . 91.7 t -67.44 -33.95 65.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 116.064 -0.516 . . . . 72.4 110.074 176.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -64.39 -48.5 75.21 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.612 0.365 . . . . 51.2 110.606 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.97 -48.28 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.048 0.539 . . . . 74.12 110.472 -177.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' B' ' 32' ' ' GLU . 16.7 pttp -59.97 -43.58 95.01 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 123.587 0.554 . . . . 73.32 109.844 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.49 -44.53 93.04 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.577 0.751 . . . . 72.32 110.944 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 72.0 mtm -60.25 -42.68 95.83 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.005 0.816 . . . . 64.13 110.32 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.09 -33.49 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.491 0.716 . . . . 74.24 110.665 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 47.5 mt-10 -74.91 -33.88 62.08 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.316 0.646 . . . . 72.53 111.009 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -72.43 -43.19 64.18 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.233 0.613 . . . . 72.01 110.722 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 80.2 mt -72.98 -28.69 27.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 115.034 -0.984 . . . . 42.14 109.868 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.44 -59.33 2.61 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.671 -0.695 . . . . 73.24 111.412 -176.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -135.93 96.73 3.47 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.962 0.905 . . . . 73.2 109.428 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.591 ' HB3' HD11 ' B' ' 41' ' ' ILE . 30.6 m -94.78 73.01 3.59 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.342 0.592 . . . . 70.42 109.815 176.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.38 -28.72 56.86 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.161 -0.927 . . . . 74.45 110.35 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.9 m -66.52 149.45 98.08 Favored Pre-proline 0 CA--C 1.558 1.27 0 C-N-CA 123.999 0.919 . . . . 74.11 111.46 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.57 131.01 39.98 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.926 2.417 . . . . 71.43 111.012 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' B' ' 37' ' ' SER . 50.4 mm -91.7 107.77 24.74 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 123.3 0.64 . . . . 75.1 109.503 -176.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.97 142.28 21.95 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 121.784 1.656 . . . . 74.52 110.975 174.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.7 mt -123.64 85.63 53.03 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 106.971 -1.492 . . . . 73.23 106.971 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -83.83 49.85 2.98 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 123.651 2.901 . . . . 72.24 112.722 -170.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -147.07 -58.75 0.27 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.586 1.154 . . . . 75.43 108.857 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.65 128.64 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 115.235 -0.893 . . . . 70.11 110.653 -177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 82.5 p -76.83 171.57 14.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.189 0.996 . . . . 64.11 110.603 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.5 p -69.64 -43.48 72.54 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.766 0.426 . . . . 73.23 111.838 -175.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 91.3 m -56.83 -42.71 80.11 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.116 0.967 . . . . 74.4 111.248 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.501 HG23 HD23 ' B' ' 91' ' ' LEU . 48.0 mm -80.47 -45.18 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-N 115.126 -0.943 . . . . 44.11 110.528 -174.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.3 tp -65.16 -30.23 71.13 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.384 0.674 . . . . 75.34 110.83 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -60.01 -48.43 81.73 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.513 0.725 . . . . 43.54 109.733 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.6 ' HD2' HD21 ' B' ' 91' ' ' LEU . 58.0 mttm -62.13 -52.08 65.28 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 124.157 0.911 . . . . 72.14 111.208 -179.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 50' ' ' ILE . 48.2 t -61.32 -45.12 99.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.284 -0.871 . . . . 74.41 110.437 -172.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 70.6 mt -74.37 -29.38 61.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.33 0.652 . . . . 74.12 112.438 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -73.28 -36.24 66.29 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.925 0.393 . . . . 72.31 110.425 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -70.87 -36.6 72.86 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.927 -0.579 . . . . 73.55 109.928 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.659 ' SG ' HD13 ' B' ' 100' ' ' ILE . 99.8 m -61.56 -40.39 94.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.883 0.473 . . . . 64.3 110.663 174.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -62.0 -46.03 90.99 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.485 0.714 . . . . 63.0 110.308 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -59.98 -42.86 95.11 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.148 0.979 . . . . 72.54 111.675 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -75.53 -21.25 58.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.703 0.801 . . . . 62.34 110.875 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' HIS . . . . . 0.417 ' CG ' HG12 ' B' ' 20' ' ' ILE . 75.9 t60 -80.48 -35.04 35.33 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.826 -0.435 . . . . 74.24 109.826 174.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.57 -36.59 73.69 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.94 0.896 . . . . 73.42 110.795 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -137.04 85.57 22.3 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 124.171 0.988 . . . . 71.21 108.977 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.98 -76.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 122.482 2.121 . . . . 71.05 111.188 172.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 47.99 -130.89 18.42 Favored Glycine 0 C--N 1.362 1.999 0 O-C-N 123.993 0.808 . . . . 74.13 113.609 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.43 0.11 59.73 Favored Glycine 0 CA--C 1.531 1.085 0 N-CA-C 111.61 -0.596 . . . . 64.11 111.61 168.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.1 m 68.14 -151.46 0.16 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.781 1.232 . . . . 62.35 110.458 -177.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.53 -28.96 70.51 Favored Glycine 0 CA--C 1.543 1.807 0 CA-C-O 119.283 -0.731 . . . . 64.14 114.061 -176.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 95.5 mt 57.32 -88.15 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 125.19 1.396 . . . . 73.25 111.265 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -142.01 -14.6 0.81 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 125.221 1.408 . . . . 55.22 109.855 175.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -60.59 -57.4 12.89 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.699 1.199 . . . . 61.35 110.661 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.1 mm 61.25 96.89 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.185 0 C-N-CA 125.371 1.468 . . . . 54.53 110.698 -176.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -58.63 152.53 55.23 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.934 2.423 . . . . 75.24 112.714 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.81 -47.24 27.43 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 123.944 3.096 . . . . 42.1 113.111 -176.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -54.67 -51.53 65.19 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.804 0.69 . . . . 73.24 111.276 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.09 -33.42 74.4 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 124.104 0.877 . . . . 73.52 111.288 -173.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 52.3 ttp180 -74.32 -55.1 6.4 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.26 -0.427 . . . . 74.25 110.196 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.71 -31.85 68.64 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.762 0.825 . . . . 74.34 111.721 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.29 -51.48 68.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.208 1.003 . . . . 62.44 110.333 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 83.8 m -76.74 -13.04 60.07 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.643 -0.708 . . . . 63.33 111.796 -175.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 78' ' ' ARG . 31.9 mmmt -74.91 85.53 2.24 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 109.159 -0.682 . . . . 75.33 109.159 171.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 29.1 m -126.75 168.68 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.746 1.218 . . . . 74.55 109.729 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.47 166.52 20.29 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.114 0.565 . . . . 74.01 110.816 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.466 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 51.6 tp60 -58.3 -52.47 74.37 Favored Pre-proline 0 N--CA 1.49 1.548 0 N-CA-C 113.673 0.99 . . . . 64.04 113.673 -169.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.466 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 22.8 Cg_exo -65.34 -32.48 50.62 Favored 'Trans proline' 0 C--N 1.387 2.585 0 C-N-CA 121.94 1.76 . . . . 61.42 111.968 175.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 8.0 m -65.39 -32.9 74.78 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.771 0.828 . . . . 73.01 111.248 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 85' ' ' GLN . 78.5 mt -56.0 -49.26 74.14 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.033 0.933 . . . . 71.1 109.825 172.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -69.62 -34.91 74.75 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.082 -0.963 . . . . 53.11 111.573 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -61.03 -40.6 94.21 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.154 0.582 . . . . 62.31 111.007 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.6 HD21 ' HD2' ' B' ' 53' ' ' LYS . 84.6 mt -73.21 -33.23 65.25 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.462 0.705 . . . . 73.34 111.522 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.72 -44.06 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.335 0.654 . . . . 74.42 109.933 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.53 -39.87 77.26 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.718 0.807 . . . . 64.4 110.859 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.85 -39.21 76.52 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.824 0.849 . . . . 73.53 111.685 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.555 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -68.31 -40.41 81.71 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.474 -0.784 . . . . 71.43 111.003 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.27 -32.22 69.94 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.111 0.564 . . . . 72.41 110.459 176.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -62.33 -44.6 96.12 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.201 1.0 . . . . 74.21 111.213 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.9 mt -98.3 -4.76 34.4 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.948 0.499 . . . . 51.34 112.004 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 24.7 t0 51.93 49.89 19.76 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.104 1.362 . . . . 61.11 111.608 -173.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.659 HD13 ' SG ' ' B' ' 58' ' ' CYS . 58.9 mt -88.2 91.79 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 114.565 -1.198 . . . . 71.55 108.225 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' B' ' 102' ' ' PRO . 53.1 mttm -62.13 -43.49 86.2 Favored Pre-proline 0 CA--C 1.559 1.319 0 CA-C-N 114.174 -1.376 . . . . 74.12 113.021 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' B' ' 101' ' ' LYS . 9.3 Cg_endo -52.43 -41.42 67.38 Favored 'Trans proline' 0 C--N 1.401 3.308 0 C-N-CA 122.378 2.052 . . . . 73.44 113.435 174.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.6 tm? -80.84 -41.74 22.71 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 110.103 -0.332 . . . . 74.3 110.103 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 104' ' ' LEU . 48.7 tp -58.76 -48.2 82.02 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.87 0.868 . . . . 64.31 110.831 -176.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.58 -51.51 68.23 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 124.417 1.073 . . . . 72.34 110.42 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 80.5 t -62.57 -41.03 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 C-N-CA 123.298 0.639 . . . . 71.24 111.936 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 29.0 m -70.05 -36.05 74.7 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 120.961 0.41 . . . . 53.44 111.158 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 71.0 m -69.57 -29.41 66.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.883 -0.598 . . . . 63.05 110.742 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.9 -31.49 59.21 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.237 0.615 . . . . 72.24 110.589 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 92.0 m -65.94 -45.39 81.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.472 0.709 . . . . 74.3 111.097 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -68.61 -31.91 52.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 116.299 -0.41 . . . . 72.44 110.457 175.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.19 -24.97 62.33 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.403 0.681 . . . . 70.3 111.501 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ASN . . . . . 0.444 ' HA ' ' HB2' ' B' ' 116' ' ' ARG . 13.1 m-80 -67.81 -25.72 65.71 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.004 0.522 . . . . 63.23 111.25 176.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 70.7 mtm -73.08 -30.06 63.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.953 0.501 . . . . 70.35 110.988 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 37.3 pt -101.96 -1.51 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 C-N-CA 123.613 0.765 . . . . 73.22 111.721 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ARG . . . . . 0.444 ' HB2' ' HA ' ' B' ' 113' ' ' ASN . 31.7 tpt180 -59.61 99.27 0.06 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.282 1.033 . . . . 74.2 111.307 -176.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.946 -0.919 . . . . 62.21 111.683 176.006 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 109.259 -0.645 . . . . 52.22 109.259 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.426 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 53.4 mt -111.94 119.59 39.04 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.026 0.53 . . . . 72.24 110.92 -172.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -99.26 148.31 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 108.25 -1.018 . . . . 71.52 108.25 166.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.574 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 95.9 mttt -95.02 132.78 39.51 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 122.824 0.45 . . . . 74.02 110.94 -171.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -122.54 107.36 11.92 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.93 0.892 . . . . 75.12 109.534 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.409 ' HG3' HG22 ' A' ' 13' ' ' VAL . 4.3 mt-10 -83.64 119.67 25.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.385 -0.598 . . . . 63.24 109.385 175.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 p -74.38 -177.19 2.96 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.419 0.688 . . . . 70.41 111.173 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -60.99 -22.56 64.63 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.407 0.683 . . . . 72.41 111.708 173.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -95.2 12.03 30.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.959 0.904 . . . . 72.1 111.436 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 66.1 16.1 10.32 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.198 0.999 . . . . 72.15 112.256 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -82.04 121.76 26.96 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 123.169 0.587 . . . . 64.12 109.682 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.426 HG13 ' HB3' ' A' ' 5' ' ' LYS . 68.1 t -83.13 94.66 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.061 0.945 . . . . 63.11 110.21 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -84.2 93.31 8.15 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.359 -0.608 . . . . 72.42 109.359 172.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 44.7 mt-10 -71.78 93.81 1.33 Allowed 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.346 -0.983 . . . . 74.34 108.346 174.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 55' ' ' LEU . 10.4 tp -98.31 152.92 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 115.231 -0.895 . . . . 75.22 109.416 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -61.44 141.52 57.61 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 120.995 0.426 . . . . 55.32 110.793 174.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HE3' HD13 ' A' ' 31' ' ' ILE . 22.5 tptm -61.43 -39.17 89.79 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.636 -1.165 . . . . 75.44 110.952 -176.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.16 -39.5 90.33 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 123.871 0.732 . . . . 73.34 110.795 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.533 HG23 ' HB3' ' A' ' 58' ' ' CYS . 76.1 mt -68.0 -44.1 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.245 1.018 . . . . 73.22 110.448 178.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.63 -25.7 66.72 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.254 -0.884 . . . . 62.14 111.57 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.5 m -75.45 -35.97 60.8 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.568 0.747 . . . . 71.13 111.175 172.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 42.5 mtm -62.36 -34.44 76.67 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.323 0.582 . . . . 72.35 110.291 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.468 ' HA ' HG12 ' A' ' 100' ' ' ILE . 34.2 t -72.44 104.22 3.72 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.748 -1.115 . . . . 70.31 108.233 169.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 57.5 t -63.31 -40.35 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.118 0.567 . . . . 75.25 111.703 -171.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.1 m -63.69 -46.69 84.34 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.569 0.748 . . . . 73.35 112.242 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.97 -42.03 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 109.827 -0.434 . . . . 75.45 109.827 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -55.58 -44.42 76.9 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.028 0.931 . . . . 71.55 110.827 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -64.76 -38.48 91.12 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.469 0.708 . . . . 74.12 111.008 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -46.4 90.78 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.289 0.635 . . . . 74.12 110.248 176.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.414 HD13 ' HE3' ' A' ' 18' ' ' LYS . 95.1 mt -59.97 -49.8 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 124.006 0.816 . . . . 74.2 110.161 178.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.71 -35.1 79.79 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.805 0.842 . . . . 75.54 111.928 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.53 -38.23 65.34 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.614 0.765 . . . . 52.14 110.967 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.7 mt -83.37 -6.02 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 CA-C-N 115.663 -0.698 . . . . 63.21 109.838 174.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.96 -58.75 1.04 Allowed Glycine 0 C--N 1.349 1.254 0 N-CA-C 111.061 -0.816 . . . . 70.45 111.061 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -167.98 137.82 2.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.5 1.12 . . . . 65.25 108.659 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.6 m -147.77 115.51 6.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.889 0.475 . . . . 62.44 110.884 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -95.55 -13.25 24.61 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.887 0.875 . . . . 73.44 110.004 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 p -56.94 158.66 8.66 Favored Pre-proline 0 CA--C 1.561 1.394 0 C-N-CA 125.858 1.663 . . . . 62.3 112.817 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.49 93.72 0.12 Allowed 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.358 2.039 . . . . 44.32 112.451 176.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.4 mm -71.62 111.36 10.08 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.833 0.853 . . . . 74.51 109.347 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -77.49 127.25 8.83 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.18 1.92 . . . . 75.01 111.99 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.9 mt -118.04 86.43 25.94 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 125.25 1.42 . . . . 72.12 108.165 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.99 -26.87 18.01 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 122.976 2.451 . . . . 63.35 114.128 -171.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -86.07 14.99 5.46 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.188 0.595 . . . . 75.31 112.307 -173.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 p -145.55 131.21 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 123.148 0.579 . . . . 61.1 109.565 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.5 p -75.63 166.65 23.24 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.192 0.597 . . . . 72.41 110.392 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.0 p -63.47 -38.83 92.65 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.329 0.652 . . . . 44.22 111.744 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.8 p -64.38 -47.36 79.54 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.705 0.802 . . . . 75.34 111.951 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.408 HG23 HD23 ' A' ' 91' ' ' LEU . 48.9 mm -71.6 -46.0 64.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.069 0.548 . . . . 73.52 109.754 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.2 -36.71 78.26 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.618 0.767 . . . . 74.01 111.136 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -56.06 -50.23 71.57 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 124.08 0.862 . . . . 65.03 109.907 176.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -70.93 -36.98 72.86 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.488 1.117 . . . . 73.53 112.197 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.444 HG13 HD13 ' A' ' 103' ' ' LEU . 79.6 t -64.25 -42.62 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 122.927 0.491 . . . . 72.4 110.017 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 97.5 mt -73.8 -32.31 63.69 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.582 -0.736 . . . . 63.43 111.095 176.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.54 -44.26 82.88 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.682 1.193 . . . . 60.15 111.551 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.452 ' OH ' HG21 ' A' ' 106' ' ' VAL . 84.3 t80 -60.59 -42.41 96.66 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.278 0.631 . . . . 72.24 110.309 174.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.533 ' HB3' HG23 ' A' ' 20' ' ' ILE . 72.4 m -67.78 -28.43 67.59 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 115.243 -0.89 . . . . 75.51 111.87 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 52.4 mtt180 -59.31 -40.1 85.15 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.208 0.603 . . . . 65.4 110.692 171.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -59.71 -36.42 76.5 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.685 0.794 . . . . 74.42 111.196 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -78.88 -19.84 50.94 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.28 0.632 . . . . 63.45 111.96 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -82.43 -46.19 13.81 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.91 0.484 . . . . 73.3 110.829 174.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -76.21 -31.01 58.21 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.713 0.805 . . . . 73.21 110.682 -177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -131.47 90.6 37.09 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 108.061 -1.089 . . . . 75.53 108.061 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -54.8 94.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 123.017 2.478 . . . . 32.42 112.135 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.03 -47.99 3.6 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 115.126 -0.943 . . . . 74.22 112.27 -176.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.55 -95.31 1.21 Allowed Glycine 0 C--N 1.351 1.392 0 N-CA-C 110.234 -1.146 . . . . 63.51 110.234 -172.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m 61.46 -178.69 0.12 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.754 1.222 . . . . 54.41 114.082 170.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 159.07 -143.21 8.99 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 115.58 -0.736 . . . . 31.2 111.327 174.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.6 tp -82.1 -38.79 24.3 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.914 -0.773 . . . . 72.13 108.914 172.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -111.83 108.54 17.97 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.848 -1.069 . . . . 52.45 108.202 172.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.44 27.51 1.68 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.059 0.944 . . . . 74.04 112.298 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.5 mm -118.4 84.38 23.2 Favored Pre-proline 0 CA--C 1.55 0.975 0 N-CA-C 108.782 -0.822 . . . . 45.12 108.782 171.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -73.7 146.29 38.25 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.38 2.054 . . . . 60.14 111.031 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -48.5 -36.84 32.34 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 123.145 2.563 . . . . 50.24 113.762 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.22 -56.66 18.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.274 1.03 . . . . 64.01 111.24 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.38 -28.41 62.01 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.376 1.071 . . . . 64.04 110.527 -174.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -66.89 -41.84 86.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.094 0.958 . . . . 72.43 110.489 175.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -77.19 -24.49 51.37 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.918 0.487 . . . . 73.24 111.33 177.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.76 -36.28 82.56 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.091 0.556 . . . . 65.44 110.212 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 73.2 m -69.66 -8.88 51.45 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.173 -0.921 . . . . 54.44 112.448 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -70.99 88.51 0.76 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-O 121.41 0.624 . . . . 72.33 109.642 170.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.493 HG11 HD11 ' A' ' 91' ' ' LEU . 3.0 m -139.95 145.35 26.6 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 C-N-CA 125.001 1.32 . . . . 74.24 108.857 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -66.53 158.9 28.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.868 0.867 . . . . 51.03 109.591 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -52.86 -50.69 80.02 Favored Pre-proline 0 CA--C 1.573 1.828 0 CA-C-O 118.419 -0.8 . . . . 75.13 112.887 -169.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.02 -32.29 84.06 Favored 'Trans proline' 0 C--N 1.39 2.734 0 C-N-CA 122.033 1.822 . . . . 73.41 113.377 171.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.4 m -68.16 -28.53 67.37 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.757 0.823 . . . . 65.12 112.028 -175.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.01 -46.45 75.22 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.914 -0.402 . . . . 54.25 109.914 169.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.43 ' HE1' ' HE1' ' B' ' 89' ' ' PHE . 42.5 m-85 -69.34 -31.47 69.94 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.484 0.714 . . . . 73.44 111.544 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -64.77 -36.02 82.97 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.811 0.444 . . . . 70.02 110.81 176.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.493 HD11 HG11 ' A' ' 83' ' ' VAL . 71.4 mt -71.06 -38.82 72.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.215 0.606 . . . . 75.3 110.921 174.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.43 -43.45 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 C-N-CA 123.314 0.645 . . . . 72.55 110.628 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.11 -41.36 90.67 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.858 0.863 . . . . 72.05 110.845 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.58 -32.51 62.41 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.42 0.688 . . . . 52.21 111.749 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.512 ' HB2' HD22 ' A' ' 103' ' ' LEU . . . -73.32 -34.7 65.82 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.991 0.516 . . . . 70.35 110.976 177.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -76.54 -35.8 58.04 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.337 0.655 . . . . 74.22 110.133 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -64.93 -45.7 84.7 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.585 0.754 . . . . 70.5 110.886 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.428 HD12 HG11 ' A' ' 54' ' ' VAL . 85.6 mt -88.3 -8.77 54.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.534 0.733 . . . . 71.14 111.143 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.424 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 36.1 t0 60.46 32.41 20.54 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.122 1.369 . . . . 72.23 111.112 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.468 HG12 ' HA ' ' A' ' 24' ' ' SER . 23.4 mt -80.94 82.15 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 107.837 -1.172 . . . . 72.52 107.837 171.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' A' ' 104' ' ' LEU . 48.1 mtpt -63.54 -34.19 12.19 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 114.409 -1.269 . . . . 71.15 113.727 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -48.17 -52.06 8.97 Favored 'Trans proline' 0 C--N 1.398 3.164 0 C-N-CA 122.19 1.927 . . . . 63.01 113.287 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 95' ' ' ALA . 7.3 tt -68.42 -43.14 77.83 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.939 0.496 . . . . 54.22 110.217 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.457 ' HB3' ' HA ' ' A' ' 101' ' ' LYS . 61.3 tp -54.21 -49.25 69.84 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.059 0.944 . . . . 64.32 111.316 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.47 -39.85 92.45 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 124.072 0.857 . . . . 61.4 111.578 -177.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.452 HG21 ' OH ' ' A' ' 57' ' ' TYR . 77.1 t -66.34 -41.29 88.69 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.239 0.615 . . . . 50.44 111.222 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -71.2 -29.64 65.41 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.917 0.487 . . . . 70.45 110.662 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' B' ' 93' ' ' LEU . 85.8 m -68.45 -32.24 72.12 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.281 0.632 . . . . 74.33 110.541 172.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -69.74 -40.68 76.01 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.93 0.492 . . . . 74.5 110.022 172.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.8 m -60.54 -46.98 88.16 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.648 0.779 . . . . 75.3 111.667 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.7 -33.75 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.681 0.392 . . . . 70.15 111.0 178.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.61 -31.66 70.99 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.302 0.641 . . . . 54.11 111.178 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -67.64 -36.55 80.97 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.4 0.68 . . . . 61.32 110.972 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 49.8 mtm -62.68 -45.13 94.19 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.885 0.474 . . . . 73.41 110.686 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.501 ' HB ' ' HB3' ' B' ' 86' ' ' PRO . 36.4 pt -86.67 -11.55 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 115.713 -0.676 . . . . 54.32 112.122 -175.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -65.98 -40.82 91.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.522 0.729 . . . . 72.44 111.007 -176.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 CA-C-O 119.634 -0.536 . . . . 71.13 111.816 177.957 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 109.674 -0.491 . . . . 63.24 109.674 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.41 ' HB3' ' HB3' ' B' ' 15' ' ' GLU . 47.5 mt -113.56 120.16 39.99 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.802 0.441 . . . . 74.53 111.025 -172.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.9 m -99.77 147.4 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.393 -0.965 . . . . 73.12 108.393 166.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.563 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 95.9 mttt -94.05 132.97 38.01 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 122.773 0.429 . . . . 73.24 111.208 -171.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -122.59 107.83 12.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.935 0.894 . . . . 75.42 109.504 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.404 ' HG3' HG22 ' B' ' 13' ' ' VAL . 4.3 mt-10 -84.64 119.48 25.28 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.569 -0.53 . . . . 72.4 109.569 175.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.5 p -74.65 -177.42 3.18 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.38 0.672 . . . . 73.32 111.235 175.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.2 t -61.05 -22.83 64.95 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.602 0.761 . . . . 74.23 111.476 174.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -94.38 13.19 24.48 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.924 0.889 . . . . 74.3 111.584 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 65.38 13.7 8.98 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.212 1.005 . . . . 60.24 112.5 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -80.48 122.08 26.55 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.003 0.521 . . . . 72.41 109.711 -178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' B' ' 5' ' ' LYS . 73.4 t -83.26 93.93 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 C-N-CA 123.971 0.908 . . . . 54.33 110.482 -177.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -83.58 92.97 7.76 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 123.267 0.627 . . . . 65.44 109.481 172.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.563 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 43.3 mt-10 -71.32 92.6 1.06 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.594 -0.891 . . . . 74.32 108.594 173.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.44 HD13 ' HB3' ' B' ' 55' ' ' LEU . 10.5 tp -97.56 152.64 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-N 115.445 -0.798 . . . . 64.14 109.762 -176.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -61.07 141.19 57.59 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 122.635 0.374 . . . . 71.0 110.617 174.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.452 ' HE3' HD13 ' B' ' 31' ' ' ILE . 22.8 tptm -61.15 -38.97 88.33 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.466 1.107 . . . . 75.42 111.175 -176.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.9 -40.22 92.24 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.83 0.706 . . . . 75.34 110.705 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.532 HG23 ' HB3' ' B' ' 58' ' ' CYS . 76.2 mt -67.14 -44.2 88.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.168 -0.924 . . . . 74.35 110.369 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.48 66.74 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.322 -0.854 . . . . 74.4 111.666 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 72.3 m -75.8 -34.85 60.19 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.606 0.762 . . . . 74.24 111.154 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 44.4 mtm -63.39 -35.02 79.01 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.386 0.612 . . . . 73.43 110.14 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.476 ' HA ' HG12 ' B' ' 100' ' ' ILE . 33.9 t -71.89 104.67 3.55 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.844 -1.071 . . . . 74.34 108.31 169.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.423 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 61.5 t -64.03 -39.96 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 122.921 0.489 . . . . 55.42 111.631 -171.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -64.04 -46.61 83.67 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.363 0.665 . . . . 75.52 112.132 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.8 -41.76 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 122.759 0.424 . . . . 55.42 109.878 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' B' ' 25' ' ' VAL . 16.0 ttpp -56.13 -44.29 79.02 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.002 0.921 . . . . 75.01 110.695 172.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -65.14 -37.4 87.29 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.473 0.709 . . . . 61.34 111.121 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -46.53 88.87 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.41 0.684 . . . . 65.45 110.302 176.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.452 HD13 ' HE3' ' B' ' 18' ' ' LYS . 96.0 mt -59.65 -49.91 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.751 0.82 . . . . 75.22 110.177 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.77 -37.35 87.32 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.685 0.794 . . . . 63.52 111.968 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.82 -37.78 70.28 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.758 0.823 . . . . 75.34 111.293 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.4 mt -84.05 -5.33 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.441 0 C-N-CA 123.651 0.78 . . . . 73.24 109.948 174.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.55 -58.59 1.11 Allowed Glycine 0 C--N 1.346 1.098 0 N-CA-C 110.917 -0.873 . . . . 73.21 110.917 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -167.59 138.48 2.94 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.288 1.035 . . . . 73.54 108.504 174.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 60.3 m -148.36 113.53 5.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.053 0.541 . . . . 74.3 111.412 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -94.51 -11.91 28.69 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.688 0.795 . . . . 61.2 110.063 167.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.2 p -57.7 158.19 12.56 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 125.046 1.338 . . . . 74.11 112.454 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -60.79 95.12 0.11 Allowed 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.103 1.869 . . . . 73.02 111.984 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.1 mm -72.41 111.43 10.95 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.828 0.851 . . . . 72.0 109.217 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.49 126.14 8.1 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.181 1.92 . . . . 73.41 112.242 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 68.3 mt -117.16 87.33 23.14 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 125.143 1.377 . . . . 75.34 108.246 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.55 -29.64 16.01 Favored 'Trans proline' 0 C--N 1.374 1.89 0 C-N-CA 123.07 2.513 . . . . 55.01 113.904 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -84.03 14.96 3.7 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.217 0.607 . . . . 74.14 112.46 -173.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 p -145.34 131.15 13.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.232 0.613 . . . . 62.01 109.744 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 66.4 p -75.45 166.8 23.04 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.116 0.566 . . . . 72.53 110.293 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 53.1 p -64.34 -37.59 88.04 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.595 0.758 . . . . 72.43 111.707 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 31.4 p -64.35 -48.94 73.64 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.604 0.762 . . . . 74.25 111.383 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.406 ' O ' HG23 ' B' ' 54' ' ' VAL . 49.0 mm -70.34 -46.39 71.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 C-N-CA 122.914 0.486 . . . . 73.52 109.733 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.84 -36.87 77.74 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.585 0.754 . . . . 64.21 111.318 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.33 -49.86 73.15 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.98 0.8 . . . . 75.41 109.861 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -71.01 -37.19 72.63 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.389 1.056 . . . . 72.55 112.101 -175.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.444 HG13 HD13 ' B' ' 103' ' ' LEU . 81.6 t -63.88 -43.16 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.053 0.541 . . . . 62.3 110.048 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' B' ' 59' ' ' ARG . 97.8 mt -73.44 -32.12 64.19 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.603 -0.726 . . . . 72.42 110.991 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.71 -44.58 81.25 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.646 1.178 . . . . 64.23 111.68 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' TYR . . . . . 0.455 ' OH ' HG21 ' B' ' 106' ' ' VAL . 85.0 t80 -60.37 -41.86 94.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.202 0.601 . . . . 75.02 110.357 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.532 ' HB3' HG23 ' B' ' 20' ' ' ILE . 72.4 m -68.41 -28.46 67.1 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.332 -0.849 . . . . 51.23 111.951 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 56.0 mtt180 -59.24 -39.84 84.03 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.975 0.51 . . . . 72.13 110.5 171.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -59.94 -36.28 76.73 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.66 0.784 . . . . 64.53 111.272 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -78.99 -19.5 51.47 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.463 0.705 . . . . 73.34 111.958 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -82.69 -46.53 13.1 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.034 0.534 . . . . 72.12 110.907 174.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.15 -29.93 57.96 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.848 0.859 . . . . 74.3 110.904 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -132.84 90.71 31.37 Favored Pre-proline 0 CA--C 1.547 0.856 0 N-CA-C 107.802 -1.184 . . . . 74.42 107.802 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.11 95.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 123.073 2.515 . . . . 75.34 112.181 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.25 -48.56 3.82 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 115.144 -0.934 . . . . 72.3 112.373 -175.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.36 -93.77 1.24 Allowed Glycine 0 C--N 1.35 1.336 0 N-CA-C 110.37 -1.092 . . . . 65.53 110.37 -173.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m 59.64 -179.17 0.09 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 114.442 1.275 . . . . 75.54 114.442 170.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 159.21 -143.44 9.2 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 115.421 -0.809 . . . . 44.14 111.453 174.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 67.7 tp -81.9 -37.9 26.14 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.729 -0.841 . . . . 70.23 108.729 172.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -112.23 109.47 19.16 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.474 -0.936 . . . . 63.31 108.474 171.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.34 27.54 1.91 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.033 0.933 . . . . 60.53 112.32 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 33.7 mm -118.0 82.78 17.91 Favored Pre-proline 0 CA--C 1.552 1.024 0 N-CA-C 108.976 -0.75 . . . . 73.22 108.976 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -72.88 145.74 41.01 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.412 2.075 . . . . 74.32 111.062 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -48.07 -36.78 29.02 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 123.217 2.611 . . . . 52.33 114.051 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -57.65 -56.3 23.69 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.772 1.229 . . . . 74.34 111.236 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.71 -28.24 61.62 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.42 1.088 . . . . 61.15 110.613 -174.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -67.54 -41.57 84.1 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.208 1.003 . . . . 61.42 110.251 176.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -77.28 -24.44 50.99 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.606 -0.724 . . . . 70.04 111.189 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -63.08 -35.8 81.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.168 0.587 . . . . 51.11 110.111 172.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.3 -7.57 43.58 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 115.277 -0.874 . . . . 73.11 112.597 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -72.43 87.04 1.16 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 121.525 0.679 . . . . 63.25 109.865 170.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.491 HG11 HD11 ' B' ' 91' ' ' LEU . 3.1 m -137.98 145.29 29.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.651 1.18 . . . . 74.13 108.827 174.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -66.03 158.16 29.06 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.674 0.79 . . . . 60.23 109.537 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -52.7 -49.63 85.36 Favored Pre-proline 0 CA--C 1.572 1.805 0 CA-C-O 118.679 -0.677 . . . . 74.44 112.772 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.501 ' HB3' ' HB ' ' A' ' 115' ' ' ILE . 22.0 Cg_endo -62.08 -33.27 83.0 Favored 'Trans proline' 0 C--N 1.388 2.619 0 C-N-CA 122.092 1.862 . . . . 75.14 113.576 171.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 8.5 m -67.78 -28.62 67.76 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.834 0.853 . . . . 63.51 111.998 -175.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mp -54.57 -46.87 73.79 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 109.905 -0.405 . . . . 74.33 109.905 169.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.43 ' HE1' ' HE1' ' A' ' 89' ' ' PHE . 40.9 m-85 -69.35 -31.63 70.18 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.59 -0.732 . . . . 73.24 111.563 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.65 -35.95 82.69 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.724 0.41 . . . . 74.13 110.733 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.491 HD11 HG11 ' B' ' 83' ' ' VAL . 74.7 mt -71.15 -38.28 72.24 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.12 0.568 . . . . 65.54 110.958 174.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.67 -43.63 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 123.303 0.641 . . . . 75.02 110.571 175.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.414 HD23 ' HB3' ' A' ' 108' ' ' CYS . 84.6 mt -65.56 -41.65 92.71 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.874 0.87 . . . . 73.2 110.87 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.86 -32.48 61.91 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.475 0.71 . . . . 60.21 111.698 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.504 ' HB2' HD22 ' B' ' 103' ' ' LEU . . . -73.21 -33.92 65.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.009 0.524 . . . . 61.54 111.158 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -77.43 -35.42 54.11 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.447 0.699 . . . . 74.31 110.074 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -65.14 -46.1 82.28 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.894 0.878 . . . . 74.44 110.624 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.435 HD12 HG11 ' B' ' 54' ' ' VAL . 85.6 mt -88.51 -8.46 54.8 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.581 0.752 . . . . 75.54 111.117 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.411 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 38.5 t0 59.95 33.13 21.42 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.153 1.381 . . . . 72.04 111.198 178.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.476 HG12 ' HA ' ' B' ' 24' ' ' SER . 23.0 mt -81.35 81.96 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.628 0 N-CA-C 107.939 -1.134 . . . . 62.41 107.939 171.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.419 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 49.4 mtpt -63.34 -34.09 12.26 Favored Pre-proline 0 CA--C 1.564 1.495 0 CA-C-N 114.225 -1.352 . . . . 74.31 113.592 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.3 -52.17 8.85 Favored 'Trans proline' 0 C--N 1.399 3.233 0 C-N-CA 122.284 1.989 . . . . 74.13 113.252 166.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.504 HD22 ' HB2' ' B' ' 95' ' ' ALA . 7.2 tt -68.55 -42.63 78.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.784 0.433 . . . . 74.04 110.302 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.419 ' HB3' ' HA ' ' B' ' 101' ' ' LYS . 63.9 tp -54.46 -49.03 71.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.931 0.892 . . . . 75.13 111.302 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.49 -40.06 92.64 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.331 1.02 . . . . 63.4 111.601 -176.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.455 HG21 ' OH ' ' B' ' 57' ' ' TYR . 72.6 t -66.08 -41.63 89.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.321 0.648 . . . . 71.34 111.38 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.6 m -71.14 -29.39 65.17 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.921 0.488 . . . . 52.04 110.596 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 85.8 m -68.84 -32.01 71.4 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.276 0.63 . . . . 73.21 110.481 173.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.95 -40.82 75.22 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.819 0.448 . . . . 74.44 110.073 172.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 40.4 m -60.15 -47.01 87.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.677 0.791 . . . . 65.31 111.602 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.71 -33.74 57.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 122.58 0.352 . . . . 53.33 111.005 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.19 -32.19 72.24 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.308 0.643 . . . . 70.03 111.132 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -68.13 -35.1 77.58 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.602 0.761 . . . . 55.05 111.051 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 49.5 mtm -64.27 -44.52 91.44 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.071 0.548 . . . . 61.23 110.686 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 34.5 pt -86.68 -13.21 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 115.912 -0.586 . . . . 62.22 112.056 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -64.09 -40.88 97.18 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.564 0.746 . . . . 73.04 111.482 -176.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.329 0 CA-C-O 119.538 -0.59 . . . . 54.4 112.672 178.889 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 m . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.401 0.143 . . . . 53.0 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 mt -110.3 115.66 30.09 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.357 -0.608 . . . . 52.52 109.357 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -86.9 107.53 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 N-CA-C 108.913 -0.773 . . . . 74.05 108.913 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.572 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 93.9 mttt -75.77 108.39 8.6 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 114.997 -1.001 . . . . 51.51 109.969 -177.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.6 mt -100.56 92.5 5.15 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.511 0.724 . . . . 75.15 109.978 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.528 ' HG3' HG22 ' A' ' 13' ' ' VAL . 3.0 mp0 -69.12 108.72 3.7 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.848 -0.797 . . . . 75.33 108.848 170.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.7 p -62.11 -179.12 0.2 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.292 0.637 . . . . 74.2 111.298 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t -66.98 -17.1 64.76 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.084 0.553 . . . . 72.31 110.635 174.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 36.3 t70 -96.73 8.16 44.92 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 124.602 1.161 . . . . 55.5 110.35 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 68.53 9.66 7.43 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.843 1.657 . . . . 52.43 113.434 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.511 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 9.8 mmpt? -73.08 122.58 22.03 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.623 -0.51 . . . . 73.34 109.623 177.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.528 HG22 ' HG3' ' A' ' 7' ' ' GLU . 42.1 t -81.37 101.66 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 123.971 0.908 . . . . 75.21 109.785 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -93.35 88.83 6.12 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.657 0.783 . . . . 73.31 109.481 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.53 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 23.5 mt-10 -76.63 76.19 3.31 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.456 -0.793 . . . . 41.13 109.062 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.3 tt -92.49 149.14 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-N 115.407 -0.815 . . . . 60.12 109.342 -175.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.34 135.3 53.05 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.325 0.65 . . . . 52.32 109.975 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.543 ' HE2' HG21 ' A' ' 31' ' ' ILE . 56.6 tttm -63.42 -31.26 72.37 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.716 1.207 . . . . 63.22 111.752 -173.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -60.37 -32.5 71.35 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.589 0.756 . . . . 74.14 111.805 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.9 mt -76.26 -41.34 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 115.38 -0.827 . . . . 75.44 109.356 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.7 -1.07 14.96 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.796 -1.093 . . . . 64.14 112.699 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 62.5 m -74.48 -29.87 61.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.33 0.652 . . . . 60.4 111.353 171.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.6 mtm -68.29 -30.11 69.04 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.824 0.45 . . . . 73.12 110.003 174.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -71.37 102.57 2.65 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.205 -0.907 . . . . 71.2 109.112 166.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.65 -31.51 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 N-CA-C 109.965 -0.383 . . . . 75.14 109.965 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.8 m -64.46 -50.54 67.09 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.622 0.369 . . . . 61.14 111.009 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.451 ' O ' HG13 ' A' ' 31' ' ' ILE . 68.4 mt -65.23 -43.16 95.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 109.087 -0.708 . . . . 62.33 109.087 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 61.4 tttp -55.1 -52.23 63.89 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 124.354 1.034 . . . . 63.35 111.153 176.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -58.18 -36.83 73.63 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.575 0.75 . . . . 63.55 111.107 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 77.6 mtm -70.92 -38.55 72.93 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.807 -0.633 . . . . 74.33 110.987 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.543 HG21 ' HE2' ' A' ' 18' ' ' LYS . 81.5 mt -66.38 -40.07 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 122.865 0.466 . . . . 73.41 109.963 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 64.4 mm-40 -66.36 -42.05 88.59 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.924 0.49 . . . . 74.2 109.974 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.26 -40.53 81.89 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.471 1.108 . . . . 73.34 111.492 -176.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.6 mt -80.2 -18.63 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.871 0.868 . . . . 75.45 109.9 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.85 -63.65 2.15 Favored Glycine 0 C--N 1.343 0.951 0 N-CA-C 110.615 -0.994 . . . . 51.32 110.615 -176.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -136.23 127.84 28.85 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.83 -1.174 . . . . 71.25 107.83 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 p -74.46 76.39 1.93 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.276 0.63 . . . . 73.43 111.251 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.89 -36.62 59.41 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.133 0.973 . . . . 74.24 109.949 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -83.84 135.28 42.94 Favored Pre-proline 0 C--O 1.247 0.963 0 CA-C-N 115.008 -0.997 . . . . 74.3 109.716 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.572 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 31.6 Cg_exo -59.85 143.78 99.55 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.471 2.114 . . . . 54.35 111.088 171.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.2 mm -96.76 103.96 16.58 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 122.911 0.484 . . . . 74.54 110.274 -175.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.404 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 85.1 Cg_endo -82.12 111.25 2.14 Favored 'Trans proline' 0 C--N 1.373 1.816 0 C-N-CA 122.242 1.961 . . . . 75.35 111.783 175.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -89.27 96.8 0.8 Allowed Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 124.306 1.042 . . . . 72.21 109.645 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 39.0 Cg_endo -87.17 25.18 0.68 Allowed 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 123.038 2.492 . . . . 51.42 113.4 -170.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -125.02 -59.27 1.42 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.92 0.888 . . . . 71.1 110.057 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.38 126.73 37.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 116.12 -0.491 . . . . 73.11 110.553 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 p -74.58 166.89 22.8 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.965 0.906 . . . . 72.13 110.869 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.515 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 61.5 p -64.39 -46.36 83.66 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.405 0.682 . . . . 61.34 112.382 -173.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.4 p -60.1 -48.49 81.51 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.611 0.764 . . . . 70.4 111.116 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.465 HG23 HD23 ' A' ' 91' ' ' LEU . 49.4 mm -67.54 -46.95 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.477 -0.783 . . . . 74.32 110.415 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.58 -35.3 80.05 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.339 0.656 . . . . 63.33 110.996 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.3 -51.27 70.65 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.889 0.876 . . . . 75.35 110.361 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -64.69 -49.51 70.63 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 114.809 -1.087 . . . . 72.54 111.283 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.1 -44.89 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 123.357 0.411 . . . . 71.03 110.532 -175.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.568 ' HB3' HD12 ' A' ' 16' ' ' ILE . 71.5 mt -68.66 -30.3 68.96 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.116 0.566 . . . . 63.53 112.012 178.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.62 -42.61 77.83 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.122 0.569 . . . . 61.31 109.621 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -68.57 -36.44 78.76 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.26 -0.882 . . . . 60.24 110.233 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.687 ' SG ' HD13 ' A' ' 100' ' ' ILE . 73.8 m -62.33 -40.38 96.17 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.83 0.452 . . . . 65.54 110.57 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 35.2 ttt180 -66.29 -42.39 88.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.988 -0.551 . . . . 72.14 109.78 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -54.49 -43.15 71.54 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.968 0.907 . . . . 71.14 111.213 174.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -74.44 -26.93 60.36 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.273 -0.876 . . . . 72.31 111.583 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -80.2 -39.25 29.57 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.577 0.227 . . . . 74.23 110.872 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 13.7 mm100 -71.36 -38.18 71.59 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.424 0.69 . . . . 74.12 110.039 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -127.23 86.89 57.71 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.069 0.948 . . . . 73.35 108.539 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -77.64 70.46 6.9 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.848 2.366 . . . . 44.04 111.915 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.45 125.06 25.82 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.57 -0.741 . . . . 34.4 111.578 177.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.41 -39.38 95.74 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.968 0.451 . . . . 74.32 113.445 -176.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.0 p -156.28 101.07 2.03 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.336 0.654 . . . . 61.44 109.802 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.27 1.22 57.34 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.962 -0.563 . . . . 54.51 112.9 176.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.4 tp -84.5 73.4 10.53 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.8 0.84 . . . . 63.3 109.519 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.1 t70 174.09 -53.36 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.819 1.648 . . . . 70.35 107.855 178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.76 -50.5 72.11 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 114.734 -1.121 . . . . 73.01 109.318 172.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.6 mt 60.11 84.6 0.2 Allowed Pre-proline 0 CA--C 1.551 1.007 0 O-C-N 124.98 1.425 . . . . 62.2 109.46 -178.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.0 138.28 47.32 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.562 2.175 . . . . 61.23 111.429 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -49.24 -45.5 29.7 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.84 3.027 . . . . 72.41 113.866 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -58.16 -55.5 34.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 123.3 0.375 . . . . 73.33 110.646 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.83 -30.15 71.27 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.566 1.146 . . . . 75.41 111.113 -174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -72.94 -55.04 7.15 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.465 1.106 . . . . 74.42 110.96 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -72.63 -21.84 61.04 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.028 -0.987 . . . . 75.34 111.261 -174.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.419 ' HE2' HD21 ' A' ' 103' ' ' LEU . 59.3 t80 -57.51 -43.3 84.11 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.848 0.859 . . . . 75.24 110.739 174.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 73.6 m -74.43 -11.57 60.27 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.393 -0.822 . . . . 73.12 112.329 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -78.7 79.05 5.13 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.32 0.648 . . . . 70.2 110.687 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -130.23 173.15 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.195 0.998 . . . . 71.13 109.121 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.15 160.89 20.26 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.784 0.434 . . . . 73.53 110.337 175.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -49.28 92.49 Favored Pre-proline 0 CA--C 1.565 1.537 0 CA-C-O 118.475 -0.774 . . . . 74.42 111.798 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.411 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 27.5 Cg_endo -60.11 -40.83 57.18 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 121.499 1.466 . . . . 54.13 111.92 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.4 m -65.71 -30.63 71.33 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.847 0.859 . . . . 64.14 111.356 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 tt -70.98 -46.35 62.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.115 0.966 . . . . 72.01 108.595 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -62.06 -32.84 73.41 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.766 0.666 . . . . 73.14 110.906 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 40.7 mm-40 -64.25 -38.6 91.63 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.054 0.542 . . . . 74.35 111.438 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.465 HD23 HG23 ' A' ' 50' ' ' ILE . 87.4 mt -67.7 -36.89 81.47 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.931 0.492 . . . . 73.4 110.716 176.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.01 -46.39 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.57 0.748 . . . . 64.43 109.813 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.81 -38.09 82.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.814 0.845 . . . . 55.3 111.159 -176.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.0 -41.17 71.29 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.501 0.72 . . . . 61.31 111.08 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -69.13 -35.09 76.02 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.029 -0.987 . . . . 74.52 111.049 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -74.59 -35.4 62.99 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.494 0.718 . . . . 73.22 109.924 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -65.52 -37.13 85.88 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.368 1.067 . . . . 74.21 111.05 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.5 mt -102.78 -7.48 21.59 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.755 -0.657 . . . . 74.5 112.11 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 64.96 30.98 11.65 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.617 1.167 . . . . 72.13 111.933 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.687 HD13 ' SG ' ' A' ' 58' ' ' CYS . 65.8 mt -74.98 83.87 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 123.61 0.764 . . . . 65.25 108.978 171.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 102' ' ' PRO . 0.7 OUTLIER -64.1 -40.67 55.71 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 117.841 -1.076 . . . . 74.12 112.494 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 4.4 Cg_endo -46.29 -49.28 11.85 Favored 'Trans proline' 0 C--N 1.396 3.047 0 C-N-CA 122.593 2.196 . . . . 74.22 114.131 175.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.469 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.3 tm? -75.93 -44.95 37.71 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.779 0.432 . . . . 75.24 109.991 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.691 HD21 HD21 ' B' ' 104' ' ' LEU . 54.0 tp -53.25 -42.47 66.48 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.364 1.066 . . . . 75.43 112.028 -177.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.72 -51.24 63.43 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.695 0.798 . . . . 54.42 110.069 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.2 t -57.8 -42.36 81.83 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 O-C-N 124.179 0.924 . . . . 70.11 111.085 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.5 m -73.11 -32.65 65.09 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.884 0.874 . . . . 75.43 111.375 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 76.7 m -75.72 -28.97 58.78 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.314 0.646 . . . . 52.24 110.689 175.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -30.36 62.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.163 0.585 . . . . 63.22 110.325 174.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.9 m -60.56 -49.79 76.15 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.102 0.561 . . . . 53.03 110.9 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.5 -32.21 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 122.572 0.349 . . . . 65.21 111.6 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.43 93.76 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.659 0.599 . . . . 73.44 111.137 176.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -65.23 -32.23 73.8 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.493 0.717 . . . . 61.12 111.301 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 44.7 mtm -67.36 -36.14 80.78 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 123.5 0.5 . . . . 62.14 111.286 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.8 pt -94.03 -13.59 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 122.662 0.385 . . . . 72.33 111.522 177.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -80.71 91.67 5.91 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 107.899 -1.148 . . . . 70.24 107.899 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.248 0 CA-C-O 118.942 -0.921 . . . . 64.03 111.386 -179.785 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.236 0.065 . . . . 35.24 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 49.4 mt -110.38 116.55 31.64 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.445 -0.576 . . . . 62.53 109.445 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.8 m -88.1 107.61 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 CA-C-O 121.744 0.783 . . . . 72.34 108.919 173.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 93.7 mttt -75.94 108.51 8.87 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.882 -1.054 . . . . 73.43 109.912 -177.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 mt -100.43 92.88 5.36 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 123.582 0.753 . . . . 63.34 109.948 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.503 ' HG3' HG22 ' B' ' 13' ' ' VAL . 2.9 mp0 -69.52 109.29 4.18 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 108.711 -0.848 . . . . 63.05 108.711 170.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.9 p -62.3 -178.17 0.17 Allowed 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 121.396 0.617 . . . . 53.41 111.354 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.0 t -66.64 -18.12 65.2 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.065 0.546 . . . . 70.4 110.467 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.53 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 35.4 t70 -96.14 8.17 44.5 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 124.513 1.125 . . . . 72.04 110.487 175.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 67.81 9.68 7.27 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.743 1.617 . . . . 73.44 113.669 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 10.4 mmpt? -73.25 122.13 21.45 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.434 -0.58 . . . . 70.01 109.434 178.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.503 HG22 ' HG3' ' B' ' 7' ' ' GLU . 42.7 t -81.0 100.35 5.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 124.197 0.999 . . . . 61.43 109.929 -174.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -92.57 88.35 6.29 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.454 0.702 . . . . 72.1 109.548 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.556 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 27.6 mt-10 -75.46 76.07 2.51 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.693 0.797 . . . . 73.12 109.232 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.569 HD12 ' HB3' ' B' ' 55' ' ' LEU . 12.4 tt -92.44 149.22 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 115.774 -0.648 . . . . 74.31 109.431 -175.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -66.73 135.48 54.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.229 0.612 . . . . 61.52 110.014 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.536 ' HE2' HG21 ' B' ' 31' ' ' ILE . 56.1 tttm -63.54 -30.68 71.76 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.434 1.094 . . . . 73.25 111.795 -173.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.15 -32.16 71.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.456 0.702 . . . . 52.33 111.987 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 40.1 mt -76.32 -41.36 36.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 123.8 0.84 . . . . 75.04 109.43 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.49 -1.15 14.77 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.789 -1.096 . . . . 73.15 112.788 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 67.3 m -74.39 -29.82 61.69 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.425 0.69 . . . . 65.32 111.408 171.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 61.2 mtm -68.29 -30.18 69.13 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 122.975 0.51 . . . . 75.33 110.045 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -71.61 102.75 2.83 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.177 -0.92 . . . . 54.11 108.982 166.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.9 -31.9 55.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 109.919 -0.4 . . . . 75.03 109.919 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 97.9 m -64.24 -50.05 69.52 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.578 0.351 . . . . 61.24 111.003 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.441 ' O ' HG13 ' B' ' 31' ' ' ILE . 68.5 mt -65.41 -43.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 109.263 -0.643 . . . . 73.42 109.263 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' B' ' 32' ' ' GLU . 61.2 tttp -55.11 -51.97 64.72 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 124.444 1.09 . . . . 74.44 111.103 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.43 -36.6 73.88 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.613 0.765 . . . . 74.24 111.065 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 76.1 mtm -71.11 -38.82 72.32 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.764 0.665 . . . . 72.24 110.725 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.536 HG21 ' HE2' ' B' ' 18' ' ' LYS . 80.7 mt -65.97 -39.58 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 122.767 0.427 . . . . 75.25 110.058 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 28' ' ' LYS . 60.7 mm-40 -66.59 -41.53 88.34 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.011 0.524 . . . . 75.01 110.249 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -68.99 -42.09 76.96 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.178 -0.919 . . . . 73.12 110.973 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.63 -19.3 14.0 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 123.871 0.868 . . . . 61.22 110.111 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.93 -63.99 2.09 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 110.384 -1.086 . . . . 45.03 110.384 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -136.44 129.37 31.04 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 107.833 -1.173 . . . . 64.11 107.833 172.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.9 p -75.01 79.29 2.2 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.271 0.629 . . . . 72.33 110.631 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.64 -37.93 48.99 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.83 0.852 . . . . 71.53 109.658 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 62.3 p -81.67 134.28 50.99 Favored Pre-proline 0 C--O 1.245 0.856 0 CA-C-N 115.211 -0.904 . . . . 70.42 109.804 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.59 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 33.1 Cg_exo -59.35 144.63 99.34 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.376 2.051 . . . . 70.34 110.727 171.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -97.28 105.5 25.5 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 122.582 0.353 . . . . 72.05 110.089 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.9 113.0 2.13 Favored 'Trans proline' 0 C--N 1.371 1.734 0 C-N-CA 122.125 1.883 . . . . 73.02 111.412 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.2 mt -90.8 96.3 0.94 Allowed Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 124.318 1.047 . . . . 70.5 109.613 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -88.37 29.77 0.45 Allowed 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 123.253 2.635 . . . . 52.03 112.889 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -128.19 -59.91 1.15 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.855 0.862 . . . . 63.45 109.573 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.47 127.15 37.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.935 -0.575 . . . . 74.5 110.563 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p -74.98 166.71 23.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.053 0.941 . . . . 71.54 110.696 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.53 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 50.9 p -63.54 -47.55 81.16 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.569 0.748 . . . . 63.22 112.515 -173.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 38.8 p -59.56 -49.64 77.0 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.985 0.914 . . . . 73.23 111.139 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.454 HG23 HD23 ' B' ' 91' ' ' LEU . 49.0 mm -65.97 -47.06 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 115.656 -0.702 . . . . 70.22 110.33 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.84 -35.17 79.74 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.312 0.645 . . . . 61.23 111.114 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.75 -51.23 70.66 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.852 0.861 . . . . 70.32 110.375 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.13 -49.7 71.13 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.92 -1.036 . . . . 74.54 111.314 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.09 -45.38 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 O-C-N 123.394 0.434 . . . . 73.24 110.455 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.569 ' HB3' HD12 ' B' ' 16' ' ' ILE . 70.4 mt -67.93 -30.89 70.32 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.144 0.578 . . . . 65.21 112.148 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.79 -42.18 77.74 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 109.624 -0.51 . . . . 73.3 109.624 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -68.31 -36.51 79.42 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.345 -0.843 . . . . 54.22 110.161 176.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.698 ' SG ' HD13 ' B' ' 100' ' ' ILE . 73.4 m -62.41 -40.71 97.41 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.861 0.464 . . . . 54.44 110.513 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 36.2 ttt180 -66.04 -42.27 89.8 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.145 -0.48 . . . . 73.14 109.857 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -54.67 -43.12 72.15 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.034 0.934 . . . . 71.13 111.306 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -74.22 -27.43 60.78 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.175 -0.92 . . . . 70.41 111.515 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -78.99 -39.59 33.77 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.54 0.209 . . . . 75.2 110.633 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 12.8 mm100 -71.34 -38.42 71.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.651 0.78 . . . . 72.34 110.198 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -127.01 87.32 56.95 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 123.918 0.887 . . . . 75.3 108.645 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.92 71.7 6.49 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.931 2.421 . . . . 74.53 111.758 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.72 125.2 22.45 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 115.177 -0.92 . . . . 52.01 111.719 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.92 -39.64 96.65 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 123.913 0.419 . . . . 65.32 113.478 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.5 p -157.42 99.96 1.79 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.391 0.677 . . . . 65.42 110.076 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.64 1.21 59.88 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 116.154 -0.476 . . . . 75.44 112.776 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 54.0 tp -84.07 72.96 10.44 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.691 0.796 . . . . 71.23 109.753 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t70 174.49 -53.91 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.752 1.621 . . . . 70.4 107.739 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.33 -50.39 71.83 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.308 -1.314 . . . . 73.14 109.715 172.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 59.4 mt 59.78 84.66 0.2 Allowed Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 124.883 1.273 . . . . 61.05 109.74 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.88 138.18 47.53 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.564 2.176 . . . . 72.33 111.455 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -49.15 -44.47 33.19 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 124.109 3.206 . . . . 62.54 113.9 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -59.28 -55.55 33.36 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 123.265 0.353 . . . . 74.04 111.024 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.6 -29.93 70.97 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.479 1.112 . . . . 35.14 111.063 -175.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -73.42 -55.01 6.92 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.493 1.117 . . . . 73.42 110.886 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -72.64 -21.56 61.08 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.101 -0.954 . . . . 72.24 111.243 -174.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.406 ' HE2' HD21 ' B' ' 103' ' ' LEU . 58.0 t80 -57.27 -43.69 83.28 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.948 0.899 . . . . 74.11 110.604 173.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 70.5 m -75.01 -11.07 60.02 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.842 0.857 . . . . 74.54 112.275 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -78.73 79.94 5.12 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.187 0.595 . . . . 72.45 110.491 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 20.8 m -132.23 170.28 20.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 C-N-CA 124.409 1.083 . . . . 63.21 108.998 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.68 160.32 14.4 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.006 0.522 . . . . 71.13 110.404 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -49.48 91.05 Favored Pre-proline 0 CA--C 1.562 1.416 0 CA-C-O 118.476 -0.773 . . . . 74.43 111.822 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 27.4 Cg_endo -60.09 -40.36 61.51 Favored 'Trans proline' 0 C--N 1.392 2.838 0 CA-C-N 120.953 1.376 . . . . 73.04 111.941 173.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 10.2 m -65.69 -30.62 71.34 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.693 0.797 . . . . 74.41 111.295 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tt -71.24 -46.41 61.13 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.273 1.029 . . . . 62.3 108.509 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -61.94 -33.06 73.58 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.819 0.699 . . . . 73.11 110.83 175.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 29.6 mm-40 -64.05 -38.66 91.87 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.956 0.502 . . . . 73.45 111.427 175.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.454 HD23 HG23 ' B' ' 50' ' ' ILE . 87.3 mt -67.54 -36.82 81.73 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.037 0.535 . . . . 72.52 110.776 176.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.16 -46.21 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.538 0.735 . . . . 63.11 109.778 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.91 -38.12 82.55 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.849 0.86 . . . . 62.22 111.074 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.08 -41.44 70.68 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.577 0.751 . . . . 62.33 111.057 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.485 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -68.74 -35.24 76.85 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.074 -0.966 . . . . 62.14 110.975 177.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' ASN . . . . . 0.413 ' ND2' ' HG ' ' A' ' 104' ' ' LEU . 41.6 t-20 -74.22 -35.69 63.89 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.475 0.71 . . . . 55.2 110.001 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -65.95 -35.57 80.96 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.233 1.013 . . . . 73.54 111.067 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 84.9 mt -103.87 -7.3 20.58 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.094 0.558 . . . . 72.54 112.448 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 64.92 30.83 11.81 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.585 1.154 . . . . 70.4 111.699 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.698 HD13 ' SG ' ' B' ' 58' ' ' CYS . 65.8 mt -74.93 83.81 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 109.006 -0.739 . . . . 74.4 109.006 171.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.484 ' N ' ' HD2' ' B' ' 102' ' ' PRO . 0.7 OUTLIER -64.21 -40.4 52.3 Favored Pre-proline 0 CA--C 1.559 1.321 0 CA-C-O 117.747 -1.12 . . . . 65.44 112.577 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 102' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' B' ' 101' ' ' LYS . 4.2 Cg_endo -46.14 -49.51 11.31 Favored 'Trans proline' 0 C--N 1.395 3.026 0 C-N-CA 122.472 2.114 . . . . 73.23 114.215 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.485 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.3 tm? -75.87 -44.97 38.08 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.743 0.417 . . . . 73.23 109.974 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.691 HD21 HD21 ' A' ' 104' ' ' LEU . 54.2 tp -53.29 -42.67 66.82 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.384 1.074 . . . . 75.55 112.041 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.6 -51.12 64.37 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.899 0.749 . . . . 70.01 110.05 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.6 -42.7 81.86 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 O-C-N 124.079 0.862 . . . . 54.12 111.031 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.2 m -72.95 -32.64 65.38 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.056 0.942 . . . . 62.51 111.318 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 78.4 m -75.85 -28.71 58.32 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.319 0.648 . . . . 65.33 110.741 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.51 -30.27 61.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.178 0.591 . . . . 64.13 110.306 174.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 55.3 m -60.43 -50.02 75.26 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.193 0.597 . . . . 71.24 110.749 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.68 -32.02 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 122.602 0.361 . . . . 72.21 111.437 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.8 -39.58 94.69 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.071 0.548 . . . . 53.14 111.048 176.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.62 -33.11 75.16 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.663 0.785 . . . . 75.31 111.252 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 53.8 mtm -66.59 -36.03 81.64 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.836 0.455 . . . . 71.53 111.679 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 39.1 pt -94.28 -13.1 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.738 0.415 . . . . 64.52 111.267 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -80.92 91.48 6.02 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 107.807 -1.183 . . . . 64.43 107.807 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.382 0 CA-C-O 119.01 -0.883 . . . . 54.4 111.365 -179.891 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 110.543 -0.169 . . . . 71.21 110.543 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.7 mt -112.79 119.08 36.79 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.31 0.644 . . . . 74.14 110.079 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.2 m -93.03 137.46 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 N-CA-C 108.948 -0.76 . . . . 64.41 108.948 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 92.9 mttt -94.32 121.52 35.93 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.538 -0.912 . . . . 75.44 108.538 -177.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.668 HD13 HD13 ' A' ' 27' ' ' ILE . 80.1 mt -120.21 100.67 7.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.978 0.511 . . . . 72.01 109.859 -176.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 2.7 mp0 -75.05 144.46 42.99 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.097 0.475 . . . . 74.33 109.962 173.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 p -82.83 -176.68 6.42 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.422 -0.808 . . . . 71.11 110.215 171.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -63.69 -27.4 69.19 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.535 0.734 . . . . 61.24 110.236 169.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -83.78 1.78 41.21 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.392 1.077 . . . . 64.25 111.367 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 70.92 13.5 7.02 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.231 1.412 . . . . 75.15 113.253 171.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 7' ' ' GLU . 45.1 mmtm -77.53 126.07 30.33 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.65 -0.5 . . . . 73.51 109.65 176.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.2 t -72.44 122.63 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.818 0.847 . . . . 71.12 109.611 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.486 ' CD1' HD12 ' A' ' 51' ' ' LEU . 95.6 m-85 -117.09 91.6 3.62 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.624 0.77 . . . . 74.41 108.944 174.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.576 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 43.5 mt-10 -72.19 103.53 3.37 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.214 -0.903 . . . . 71.44 109.651 176.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 55' ' ' LEU . 14.5 tt -119.37 147.68 22.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 124.497 1.119 . . . . 75.31 108.079 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HB3' HG13 ' A' ' 20' ' ' ILE . 32.6 tt0 -66.04 136.95 56.71 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.381 -0.599 . . . . 73.12 109.381 178.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HG3' HD13 ' A' ' 31' ' ' ILE . 38.2 ttpt -59.27 -34.13 71.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.706 0.802 . . . . 64.42 111.474 -174.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -59.95 -37.67 80.23 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.112 0.965 . . . . 64.13 111.614 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.506 HG13 ' HB3' ' A' ' 17' ' ' GLU . 10.2 mt -79.76 -29.97 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 C-N-CA 123.123 0.569 . . . . 74.12 109.998 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.21 -18.59 60.74 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.528 0.731 . . . . 71.11 111.596 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 94.5 m -73.14 -22.45 60.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.506 0.722 . . . . 63.12 111.604 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 85.6 mtp -63.04 -32.3 73.64 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.58 0.705 . . . . 73.45 110.433 173.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.545 ' HA ' HG12 ' A' ' 100' ' ' ILE . 35.9 t -81.92 111.26 17.94 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.623 -1.172 . . . . 53.11 108.204 170.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 46.5 t -64.91 -39.25 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 123.126 0.266 . . . . 73.34 110.764 -176.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 30' ' ' MET . 98.4 m -60.65 -51.56 68.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.183 0.593 . . . . 75.13 111.757 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.668 HD13 HD13 ' A' ' 6' ' ' LEU . 82.2 mt -69.43 -35.21 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.153 0.581 . . . . 73.43 110.405 -177.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -58.38 -46.89 85.46 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.102 0.961 . . . . 71.11 110.067 173.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -63.87 -35.65 81.34 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.87 0.868 . . . . 74.41 111.187 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 26' ' ' THR . 25.3 mmt -63.57 -47.0 83.31 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.007 0.523 . . . . 65.54 110.697 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.473 HD13 ' HG3' ' A' ' 18' ' ' LYS . 77.5 mt -66.04 -43.68 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.797 0.839 . . . . 72.22 110.54 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.58 -29.25 64.5 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.256 0.622 . . . . 54.12 111.901 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.6 -43.38 72.91 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.561 0.744 . . . . 72.25 110.614 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.4 mt -75.45 -21.38 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-N 114.96 -1.018 . . . . 74.1 109.734 173.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.73 -74.76 2.47 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 110.053 -1.219 . . . . 63.03 110.053 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.21 93.86 4.48 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.182 -1.044 . . . . 70.43 108.182 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -78.27 82.98 4.54 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.345 0.593 . . . . 45.32 110.155 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.41 -32.44 64.43 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.149 -0.932 . . . . 64.54 109.35 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -73.99 138.05 76.11 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 115.157 -0.929 . . . . 72.31 109.046 176.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.58 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.1 Cg_endo -68.88 143.55 55.61 Favored 'Trans proline' 0 C--N 1.361 1.204 0 C-N-CA 121.94 1.76 . . . . 71.53 110.957 175.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.6 mm -96.95 105.62 25.09 Favored Pre-proline 0 CA--C 1.547 0.849 0 N-CA-C 109.35 -0.611 . . . . 74.22 109.35 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -81.33 145.68 15.17 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.029 1.82 . . . . 63.13 111.329 173.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HB3' ' HE1' ' A' ' 97' ' ' TYR . 3.0 mm? -117.37 87.82 26.08 Favored Pre-proline 0 CA--C 1.552 1.05 0 N-CA-C 108.29 -1.004 . . . . 74.24 108.29 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -80.11 63.8 8.79 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.339 2.693 . . . . 71.25 112.553 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -159.23 -58.55 0.07 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.331 1.052 . . . . 73.12 109.137 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.425 HG11 HD23 ' A' ' 51' ' ' LEU . 7.2 p -84.32 130.14 36.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 C-N-CA 123.324 0.65 . . . . 73.32 110.696 -177.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 p -72.92 168.45 18.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.864 0.866 . . . . 65.15 111.167 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 p -62.18 -47.58 83.85 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 112.965 0.728 . . . . 74.1 112.965 -173.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 35.5 p -65.25 -42.66 93.06 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.524 0.73 . . . . 71.41 111.363 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.478 HG23 HD23 ' A' ' 91' ' ' LEU . 51.2 mm -72.18 -42.76 66.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 123.157 0.583 . . . . 72.42 110.527 -177.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.486 HD12 ' CD1' ' A' ' 14' ' ' PHE . 3.2 tm? -63.19 -37.53 87.59 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.972 0.909 . . . . 61.41 109.867 177.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.49 -51.17 71.02 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 123.951 0.782 . . . . 72.45 109.737 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.476 ' HE2' HG11 ' A' ' 83' ' ' VAL . 26.8 mtpp -59.09 -52.53 65.35 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.223 0.952 . . . . 73.01 111.507 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.471 HG12 HD12 ' A' ' 100' ' ' ILE . 97.4 t -60.94 -42.12 91.61 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 C-N-CA 123.152 0.581 . . . . 71.41 111.137 -174.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.456 ' HB3' HD12 ' A' ' 16' ' ' ILE . 43.9 mt -75.17 -28.51 60.09 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 112.52 0.563 . . . . 74.02 112.52 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.95 -32.89 65.55 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.173 0.589 . . . . 74.41 110.735 -178.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.92 -41.85 99.6 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.444 0.698 . . . . 75.44 109.758 170.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 75.7 m -64.02 -35.8 81.91 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.169 -0.923 . . . . 71.32 111.255 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.65 -44.57 95.93 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.36 0.664 . . . . 55.33 110.434 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -60.14 -47.69 84.87 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.125 -0.943 . . . . 64.15 111.195 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -77.2 -18.01 58.07 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 116.071 -0.513 . . . . 74.22 111.134 -175.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -69.08 -48.44 62.67 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.874 0.87 . . . . 71.35 110.863 173.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -90.89 -18.85 24.09 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.061 -0.972 . . . . 72.35 110.905 -172.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -131.75 88.07 43.47 Favored Pre-proline 0 C--O 1.242 0.705 0 N-CA-C 107.809 -1.182 . . . . 73.15 107.809 175.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.6 89.51 0.28 Allowed 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.173 1.915 . . . . 61.11 110.764 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.72 -177.41 51.37 Favored Glycine 0 C--N 1.346 1.09 0 CA-C-N 115.093 -0.958 . . . . 74.21 113.897 -176.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.66 -40.81 1.56 Allowed Glycine 0 C--N 1.342 0.896 0 N-CA-C 110.735 -0.946 . . . . 72.22 110.735 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.5 m -75.35 84.17 2.48 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 121.66 0.743 . . . . 54.31 109.124 173.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.16 57.29 0.03 OUTLIER Glycine 0 C--O 1.24 0.486 0 N-CA-C 109.827 -1.309 . . . . 34.31 109.827 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.79 119.69 7.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.647 0.779 . . . . 65.2 110.655 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.9 t70 67.78 1.11 2.53 Favored 'General case' 0 CA--C 1.565 1.532 0 C-N-CA 125.042 1.337 . . . . 63.35 112.722 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -106.02 90.59 3.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.062 0.945 . . . . 72.33 109.418 -176.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.0 mt -91.35 119.22 68.73 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 123.476 0.71 . . . . 73.41 109.178 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.39 151.8 82.37 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.519 2.146 . . . . 75.22 111.706 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -45.42 -38.61 15.93 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 124.323 3.349 . . . . 64.0 115.422 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.9 -57.6 12.17 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 117.694 0.224 . . . . 64.24 110.879 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -66.64 -27.92 68.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.84 0.856 . . . . 64.32 111.026 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.52 -55.97 8.68 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.225 0.61 . . . . 72.43 110.289 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.49 -24.31 64.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.717 0.807 . . . . 73.33 111.536 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.458 ' HE1' HD21 ' A' ' 103' ' ' LEU . 54.5 t80 -61.64 -51.93 66.44 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.691 0.796 . . . . 54.42 110.151 175.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 80.8 m -82.69 -26.8 31.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.224 -0.898 . . . . 65.14 111.177 -175.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -80.39 84.63 5.99 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.078 -0.712 . . . . 75.41 109.078 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.476 HG11 ' HE2' ' A' ' 53' ' ' LYS . 16.1 m -124.12 -178.8 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.315 1.046 . . . . 75.21 109.482 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -65.13 154.28 38.42 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.274 0.63 . . . . 73.54 110.21 -176.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.555 ' HA ' HD12 ' A' ' 88' ' ' LEU . 54.2 tp60 -55.06 -50.11 88.34 Favored Pre-proline 0 CA--C 1.566 1.575 0 N-CA-C 113.438 0.903 . . . . 74.33 113.438 -171.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.478 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 34.4 Cg_exo -63.02 -37.04 55.74 Favored 'Trans proline' 0 C--N 1.387 2.561 0 C-N-CA 122.162 1.908 . . . . 73.13 113.0 172.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.0 m -63.26 -31.51 72.67 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.808 0.843 . . . . 61.5 111.202 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 85' ' ' GLN . 61.9 mt -60.54 -48.82 80.07 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.012 0.925 . . . . 70.43 110.767 173.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.439 ' CD2' HD13 ' B' ' 115' ' ' ILE . 56.6 m-85 -67.1 -30.97 71.14 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.682 -0.69 . . . . 75.21 111.293 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -64.6 -38.35 90.69 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.833 0.453 . . . . 74.14 111.34 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.478 HD23 HG23 ' A' ' 50' ' ' ILE . 97.4 mt -70.26 -34.45 72.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.063 0.545 . . . . 72.33 110.905 176.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 80.6 mt -66.7 -45.36 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.303 0.641 . . . . 73.12 110.178 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.75 -41.37 95.96 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.891 0.876 . . . . 71.52 110.793 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.2 74.76 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.481 0.713 . . . . 55.35 111.489 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.507 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.53 -29.06 63.25 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.912 0.485 . . . . 74.05 111.524 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -70.38 -44.35 68.21 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.935 0.894 . . . . 35.24 109.539 173.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.45 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 73.9 t80 -70.18 -36.73 74.87 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.578 1.151 . . . . 73.11 111.96 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 27' ' ' ILE . 96.5 mt -92.0 -7.67 48.22 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.618 0.767 . . . . 61.14 110.8 179.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.517 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER 66.4 22.61 10.73 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.538 1.135 . . . . 73.2 111.037 175.153 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.545 HG12 ' HA ' ' A' ' 24' ' ' SER . 33.6 mt -83.65 85.29 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 108.543 -0.91 . . . . 75.23 108.543 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -64.06 -37.96 31.33 Favored Pre-proline 0 CA--C 1.557 1.245 0 CA-C-N 114.238 -1.346 . . . . 73.23 112.804 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.446 ' O ' HG23 ' A' ' 106' ' ' VAL . 71.2 Cg_exo -47.85 -48.01 17.23 Favored 'Trans proline' 0 C--N 1.399 3.205 0 C-N-CA 122.362 2.042 . . . . 70.43 113.88 169.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.7 tm? -76.51 -41.21 47.74 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.175 0.59 . . . . 62.11 110.068 -178.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.542 HD21 HD21 ' B' ' 104' ' ' LEU . 64.0 tp -56.64 -43.93 80.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.354 1.062 . . . . 71.32 111.047 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.0 -48.48 78.63 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.135 0.897 . . . . 72.3 110.356 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 102' ' ' PRO . 87.0 t -60.2 -45.22 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.257 0.623 . . . . 74.31 111.216 -178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.1 m -68.64 -37.92 80.09 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.118 0.567 . . . . 53.32 111.386 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 82.8 m -67.79 -31.23 70.97 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.237 0.615 . . . . 71.13 110.919 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.33 -36.65 61.01 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.077 0.551 . . . . 75.33 110.481 175.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.5 m -64.6 -46.96 80.42 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.077 0.551 . . . . 45.33 110.957 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.28 -33.09 60.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.932 -0.576 . . . . 62.33 110.863 178.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.41 -31.3 67.09 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 123.199 0.6 . . . . 63.23 110.966 175.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -66.88 -36.91 83.38 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.036 0.534 . . . . 70.15 111.219 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 38.4 mtm -62.16 -34.33 76.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.576 0.75 . . . . 74.42 111.793 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 24.5 pt -94.75 -35.19 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 116.089 -0.505 . . . . 73.33 111.061 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 173.11 88.89 0.0 OUTLIER 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.699 1.599 . . . . 73.1 109.008 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 CA-C-O 119.431 -0.65 . . . . 63.14 112.868 169.107 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.294 -0.261 . . . . 31.42 110.294 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 75.4 mt -112.25 118.76 36.19 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.21 0.604 . . . . 73.2 110.105 -178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.1 m -93.08 137.83 21.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 109.066 -0.716 . . . . 74.53 109.066 171.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.595 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 92.2 mttt -95.09 121.85 37.16 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.658 -0.868 . . . . 61.24 108.658 -176.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.678 HD13 HD13 ' B' ' 27' ' ' ILE . 79.0 mt -120.62 100.75 7.31 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.008 0.523 . . . . 74.3 109.702 -175.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' B' ' 12' ' ' LYS . 1.7 mp0 -75.51 144.58 41.92 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.02 0.438 . . . . 71.42 109.849 173.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.9 p -83.11 -176.53 6.38 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.415 -0.811 . . . . 62.05 110.15 172.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.9 t -63.28 -28.2 69.86 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.567 0.747 . . . . 71.22 110.143 169.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.98 3.74 32.92 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.578 1.151 . . . . 73.14 111.198 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 68.65 14.29 9.0 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 125.13 1.372 . . . . 74.31 113.415 170.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' B' ' 7' ' ' GLU . 45.7 mmtm -77.97 126.9 31.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.785 0.434 . . . . 71.13 109.91 175.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.2 t -74.27 120.2 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.782 0.833 . . . . 74.45 110.003 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.48 ' CD1' HD12 ' B' ' 51' ' ' LEU . 96.6 m-85 -114.7 90.96 3.47 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.739 0.816 . . . . 75.33 109.067 174.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.575 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 41.3 mt-10 -71.61 104.7 3.4 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.169 -0.923 . . . . 70.11 109.279 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.447 HD12 ' HB3' ' B' ' 55' ' ' LEU . 14.9 tt -120.03 147.61 23.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 124.781 1.232 . . . . 60.41 108.345 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.499 ' HB3' HG13 ' B' ' 20' ' ' ILE . 31.9 tt0 -66.01 136.97 56.76 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 109.361 -0.607 . . . . 75.43 109.361 177.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.478 ' HG3' HD13 ' B' ' 31' ' ' ILE . 38.1 ttpt -59.45 -34.02 72.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.774 0.829 . . . . 73.14 111.59 -175.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -60.07 -36.81 78.18 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.238 1.015 . . . . 34.32 111.566 175.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.499 HG13 ' HB3' ' B' ' 17' ' ' GLU . 9.5 mt -80.94 -30.15 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.104 0.562 . . . . 65.03 110.055 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.67 -19.37 60.85 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.585 0.754 . . . . 72.32 111.414 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 93.0 m -73.01 -22.5 60.65 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.587 0.755 . . . . 74.53 111.519 173.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 83.1 mtp -62.89 -32.62 73.92 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 121.623 0.725 . . . . 71.32 110.284 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.568 ' HA ' HG12 ' B' ' 100' ' ' ILE . 37.5 t -81.55 112.24 18.59 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.027 -0.988 . . . . 75.02 108.413 171.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 41.9 t -64.85 -39.52 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.05 0.386 . . . . 62.22 110.765 -176.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' B' ' 30' ' ' MET . 97.2 m -60.96 -51.94 67.13 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.298 0.639 . . . . 74.54 111.44 178.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.678 HD13 HD13 ' B' ' 6' ' ' LEU . 82.4 mt -68.94 -35.47 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.25 0.62 . . . . 73.11 110.44 -177.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -58.34 -47.21 84.49 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.181 0.992 . . . . 75.21 110.192 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.39 -35.4 80.27 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.914 0.886 . . . . 73.3 111.183 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' B' ' 26' ' ' THR . 24.8 mmt -63.67 -47.61 80.56 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.828 0.451 . . . . 40.24 110.486 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.478 HD13 ' HG3' ' B' ' 18' ' ' LYS . 78.0 mt -65.83 -43.15 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 115.367 -0.833 . . . . 75.32 110.701 -177.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -71.79 -30.35 65.45 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.603 0.761 . . . . 74.05 111.878 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.45 -44.85 73.98 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.332 0.653 . . . . 60.43 110.623 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 64.2 mt -73.72 -21.87 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 CA-C-N 115.021 -0.991 . . . . 75.54 109.828 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.89 -73.96 2.56 Favored Glycine 0 C--N 1.347 1.157 0 N-CA-C 109.912 -1.275 . . . . 64.34 109.912 -175.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.75 96.67 5.72 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.9 -1.148 . . . . 75.53 107.9 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.413 ' HB2' ' HA ' ' B' ' 31' ' ' ILE . 26.3 t -79.79 82.04 5.95 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.009 0.433 . . . . 55.54 110.05 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.83 -32.42 65.49 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.513 -0.767 . . . . 71.53 109.143 173.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.4 m -74.22 138.81 75.34 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 114.92 -1.036 . . . . 61.33 109.091 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.595 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 59.2 Cg_endo -69.57 143.6 52.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 C-N-CA 122.031 1.821 . . . . 65.42 111.258 174.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -97.19 105.17 22.89 Favored Pre-proline 0 CA--C 1.547 0.846 0 N-CA-C 109.479 -0.563 . . . . 71.43 109.479 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -80.82 145.86 16.18 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.184 1.922 . . . . 60.21 111.17 173.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.465 ' HB3' ' HE1' ' B' ' 97' ' ' TYR . 3.0 mm? -117.54 87.91 27.31 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 124.284 1.034 . . . . 63.05 108.318 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -80.45 63.99 8.83 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 123.337 2.691 . . . . 74.32 112.384 -175.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -158.37 -60.07 0.08 Allowed 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 114.868 -1.06 . . . . 72.3 108.862 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.44 HG11 HD23 ' B' ' 51' ' ' LEU . 6.9 p -83.28 130.43 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 CA-C-N 115.515 -0.766 . . . . 74.32 110.704 -176.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 76.0 p -73.3 168.5 19.05 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.781 0.832 . . . . 73.42 111.188 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.8 p -62.72 -46.58 87.44 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.907 0.706 . . . . 75.55 112.907 -172.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 39.4 p -65.41 -43.28 91.09 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.668 0.787 . . . . 64.55 111.525 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.481 HG23 HD23 ' B' ' 91' ' ' LEU . 51.1 mm -71.51 -42.85 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 115.908 -0.587 . . . . 71.32 110.572 -177.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.48 HD12 ' CD1' ' B' ' 14' ' ' PHE . 3.2 tm? -63.23 -37.56 87.71 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.921 0.888 . . . . 64.44 109.771 177.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.92 -51.79 68.53 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.927 0.767 . . . . 44.21 109.967 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.458 ' HE2' HG11 ' B' ' 83' ' ' VAL . 26.9 mtpp -58.83 -52.49 65.49 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.605 1.191 . . . . 74.02 111.595 -177.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.474 HG12 HD12 ' B' ' 100' ' ' ILE . 97.5 t -61.04 -41.88 90.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 123.079 0.552 . . . . 73.45 110.971 -174.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.447 ' HB3' HD12 ' B' ' 16' ' ' ILE . 43.2 mt -75.14 -28.71 60.28 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.387 0.514 . . . . 64.15 112.387 176.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.02 -33.44 65.75 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.179 0.592 . . . . 50.41 110.518 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -62.41 -41.77 98.94 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.166 0.587 . . . . 63.54 109.836 171.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.07 -35.98 82.52 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.218 -0.901 . . . . 75.23 111.215 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.05 -45.5 93.28 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.485 0.714 . . . . 64.31 110.376 174.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -59.24 -48.07 83.0 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.063 -0.972 . . . . 75.44 111.041 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -77.21 -18.62 57.58 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 123.547 0.53 . . . . 74.1 111.295 -174.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -68.3 -48.62 64.46 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.851 0.86 . . . . 72.1 110.559 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.11 -18.97 24.87 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.194 -0.912 . . . . 75.11 110.979 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -132.76 88.1 39.01 Favored Pre-proline 0 C--O 1.242 0.678 0 C-N-CA 124.838 1.255 . . . . 75.1 107.864 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.71 89.75 0.29 Allowed 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.397 2.065 . . . . 42.44 110.817 176.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.25 -177.28 51.6 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 114.752 -1.113 . . . . 51.13 113.723 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.64 -39.36 1.81 Allowed Glycine 0 C--N 1.341 0.855 0 N-CA-C 110.971 -0.852 . . . . 73.44 110.971 -174.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.9 m -74.34 85.68 1.97 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 108.571 -0.9 . . . . 53.11 108.571 170.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 163.67 57.24 0.02 OUTLIER Glycine 0 C--N 1.337 0.615 0 N-CA-C 110.152 -1.179 . . . . 61.52 110.152 -174.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 pp -60.2 118.95 6.99 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.687 0.795 . . . . 70.41 110.285 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 33.9 t70 66.17 3.07 2.55 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 124.918 1.287 . . . . 74.24 112.749 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -106.4 91.24 3.62 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.71 0.804 . . . . 71.52 109.061 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 60.4 mt -91.76 118.58 68.37 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 123.69 0.796 . . . . 52.52 108.978 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.8 151.55 84.01 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 122.596 2.198 . . . . 72.23 112.001 177.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -45.24 -38.5 14.83 Favored 'Trans proline' 0 C--N 1.385 2.481 0 C-N-CA 124.431 3.421 . . . . 63.31 115.555 -177.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.94 -57.82 11.23 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 117.701 0.228 . . . . 75.42 110.785 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.2 -28.18 68.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.8 0.84 . . . . 72.23 111.021 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.28 -56.28 8.01 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.837 -0.62 . . . . 75.32 110.152 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.07 -23.94 64.1 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.757 0.823 . . . . 62.3 111.626 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.468 ' HE1' HD21 ' B' ' 103' ' ' LEU . 54.3 t80 -61.3 -51.91 66.89 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.821 0.848 . . . . 74.41 110.123 174.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 80.8 m -83.05 -26.74 30.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.08 -0.964 . . . . 70.14 111.102 -175.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -80.38 84.49 6.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.554 0.692 . . . . 65.21 109.207 175.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.458 HG11 ' HE2' ' B' ' 53' ' ' LYS . 16.7 m -123.44 -178.48 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 114.657 -1.156 . . . . 70.11 109.607 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -65.04 153.35 40.98 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.604 0.761 . . . . 75.31 110.261 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.567 ' HA ' HD12 ' B' ' 88' ' ' LEU . 57.0 tp60 -54.79 -50.15 87.58 Favored Pre-proline 0 CA--C 1.567 1.609 0 C-N-CA 123.827 0.851 . . . . 71.24 113.23 -171.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.492 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 32.7 Cg_exo -63.26 -36.7 55.32 Favored 'Trans proline' 0 C--N 1.387 2.576 0 C-N-CA 122.339 2.026 . . . . 73.14 113.452 172.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 15.8 m -63.82 -31.56 72.77 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.825 0.85 . . . . 72.11 111.126 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' B' ' 85' ' ' GLN . 61.4 mt -60.22 -48.9 79.77 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.165 0.986 . . . . 74.04 110.54 173.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -66.75 -31.11 71.54 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.604 -0.726 . . . . 72.31 111.265 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -64.6 -38.41 90.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.964 0.506 . . . . 71.51 111.422 175.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.481 HD23 HG23 ' B' ' 50' ' ' ILE . 97.5 mt -70.39 -34.25 72.34 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.183 0.593 . . . . 63.43 111.017 176.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.03 -45.41 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.254 0.622 . . . . 71.42 110.24 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.76 -40.59 95.54 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.714 0.806 . . . . 71.13 110.773 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.05 -42.1 73.34 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.475 0.71 . . . . 65.24 111.423 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.508 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -73.08 -29.34 62.87 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.875 0.47 . . . . 73.23 111.522 -178.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -68.95 -45.83 69.73 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.832 0.853 . . . . 72.11 109.442 172.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' TYR . . . . . 0.465 ' HE1' ' HB3' ' B' ' 43' ' ' LEU . 71.3 t80 -69.3 -37.28 77.72 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.49 1.116 . . . . 65.12 111.92 -177.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.492 HD22 HD11 ' B' ' 27' ' ' ILE . 96.0 mt -91.46 -8.25 48.28 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.455 0.702 . . . . 73.05 110.767 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.521 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 0.7 OUTLIER 67.72 22.25 8.99 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.42 1.088 . . . . 70.0 110.947 174.366 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.568 HG12 ' HA ' ' B' ' 24' ' ' SER . 33.2 mt -84.17 85.54 2.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 108.552 -0.907 . . . . 70.44 108.552 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.89 -37.96 32.32 Favored Pre-proline 0 CA--C 1.562 1.415 0 CA-C-N 114.052 -1.431 . . . . 73.24 112.764 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' PRO . . . . . 0.439 ' O ' HG23 ' B' ' 106' ' ' VAL . 70.6 Cg_exo -48.25 -46.65 22.18 Favored 'Trans proline' 0 C--N 1.398 3.17 0 C-N-CA 122.601 2.201 . . . . 62.11 114.042 169.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.508 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.6 tm? -77.93 -41.19 37.19 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.23 0.612 . . . . 73.52 109.83 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.542 HD21 HD21 ' A' ' 104' ' ' LEU . 62.9 tp -57.2 -43.05 82.37 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.42 1.088 . . . . 75.21 111.027 -178.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.405 ' O ' ' HD3' ' B' ' 109' ' ' LYS . 25.7 t70 -63.01 -49.0 76.35 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 124.112 0.882 . . . . 64.31 110.427 -179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 102' ' ' PRO . 97.3 t -60.56 -44.84 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.286 0.634 . . . . 72.31 111.287 -178.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 19.2 m -68.78 -37.92 79.66 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.102 0.561 . . . . 51.43 111.366 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 97.2 m -67.49 -31.96 72.46 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.159 0.584 . . . . 72.45 110.743 177.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' B' ' 105' ' ' ASP . 1.0 OUTLIER -74.76 -36.53 62.57 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.073 0.549 . . . . 75.42 110.446 175.569 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.4 m -64.67 -46.76 81.08 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.03 0.532 . . . . 73.04 110.844 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 31.6 m -67.43 -32.97 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 116.154 -0.476 . . . . 63.15 110.902 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.22 -31.69 67.89 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.365 0.666 . . . . 61.12 110.863 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -67.66 -33.74 75.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.107 0.563 . . . . 75.33 111.766 -179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 38.6 mtm -65.47 -33.52 76.14 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.827 0.704 . . . . 34.11 111.612 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.439 HD13 ' CD2' ' A' ' 89' ' ' PHE . 25.8 pt -94.76 -35.17 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 116.264 -0.426 . . . . 64.34 111.193 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 172.89 87.34 0.0 OUTLIER 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.852 1.661 . . . . 74.32 108.773 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.291 0 CA-C-O 118.974 -0.903 . . . . 37.59 112.483 166.127 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 120.913 0.387 . . . . 73.35 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.3 mt -81.47 117.77 22.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.054 0.542 . . . . 75.22 110.613 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -85.3 131.83 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.748 -0.834 . . . . 74.43 108.748 168.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 85.5 mttt -103.38 125.21 49.86 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.961 -0.755 . . . . 74.34 108.961 -172.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -119.78 96.9 5.37 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.311 0.644 . . . . 74.52 109.596 -172.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -75.14 109.08 8.33 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.28 -0.637 . . . . 63.25 109.28 174.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.9 p -63.64 -175.22 0.12 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.013 0.925 . . . . 74.43 112.044 175.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 t -57.27 -30.73 64.92 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.751 0.821 . . . . 53.21 111.055 172.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.54 ' HB2' ' HB3' ' A' ' 48' ' ' SER . 6.3 m-20 -89.58 9.4 26.92 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.265 1.026 . . . . 74.21 111.77 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 62.19 20.6 11.84 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.33 1.052 . . . . 71.33 112.415 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -79.34 120.97 24.53 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.697 -0.853 . . . . 63.42 108.697 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.1 t -76.89 96.31 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.065 0.946 . . . . 51.11 109.708 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -85.97 89.62 7.85 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.396 0.617 . . . . 74.34 110.473 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -77.5 101.94 6.69 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.73 -1.123 . . . . 53.44 108.862 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' A' ' 55' ' ' LEU . 19.4 tt -131.84 151.89 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 108.901 -0.777 . . . . 63.43 108.901 -178.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -59.57 136.74 58.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 122.985 0.514 . . . . 74.23 111.11 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 18' ' ' LYS . 31.7 ttpt -56.97 -39.77 75.23 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.426 1.09 . . . . 74.01 111.224 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -52.34 -37.86 57.15 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.532 1.133 . . . . 75.41 111.567 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.519 HG21 HD11 ' A' ' 16' ' ' ILE . 32.6 mt -74.56 -42.12 48.77 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 114.555 -1.202 . . . . 72.13 109.903 -177.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -10.16 59.19 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.739 0.816 . . . . 73.44 112.499 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -73.36 -25.85 60.76 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.276 0.63 . . . . 63.44 111.529 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.483 ' SD ' ' ND1' ' A' ' 61' ' ' HIS . 46.0 mtm -69.84 -33.58 72.5 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.203 0.525 . . . . 73.42 110.097 175.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 t -69.25 108.18 3.55 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.744 -1.116 . . . . 60.0 108.303 168.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.437 ' HB ' ' HB2' ' A' ' 99' ' ' ASP . 65.5 t -59.44 -41.6 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.577 0.751 . . . . 52.35 110.476 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 m -65.09 -52.5 55.15 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.914 0.885 . . . . 64.14 112.28 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.409 HG13 HD22 ' A' ' 98' ' ' LEU . 83.0 mt -63.52 -42.73 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 109.979 -0.378 . . . . 63.0 109.979 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -60.38 -44.84 95.26 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.484 0.714 . . . . 74.25 110.8 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -67.8 -30.59 70.06 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.47 0.482 . . . . 70.24 111.473 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.6 mtt -66.84 -42.01 86.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.053 0.541 . . . . 71.03 110.627 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.9 mt -63.21 -47.97 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 123.525 0.73 . . . . 64.14 109.754 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.42 -36.06 82.93 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.884 0.873 . . . . 43.34 111.803 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.84 -43.05 80.44 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.793 0.837 . . . . 74.01 110.753 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.7 mt -70.55 -28.55 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-N 115.398 -0.819 . . . . 73.52 109.707 174.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.1 14.93 53.68 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 116.129 -0.487 . . . . 61.11 112.172 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 70.46 97.84 0.06 Allowed 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.733 1.613 . . . . 74.11 110.742 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.4 p -114.91 -177.95 3.25 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.133 0.973 . . . . 61.41 109.2 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -82.18 -11.29 58.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.189 0.596 . . . . 75.4 110.368 173.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -60.33 130.24 89.5 Favored Pre-proline 0 C--N 1.357 0.932 0 C-N-CA 123.976 0.91 . . . . 71.13 110.368 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.545 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.0 Cg_endo -68.86 160.03 51.4 Favored 'Trans proline' 0 C--N 1.365 1.434 0 C-N-CA 122.734 2.29 . . . . 62.02 111.609 175.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -107.98 94.04 11.98 Favored Pre-proline 0 CA--C 1.55 0.975 0 N-CA-C 107.769 -1.196 . . . . 73.44 107.769 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -71.82 128.41 14.14 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.592 2.195 . . . . 65.42 110.943 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.3 mt -109.4 83.81 2.69 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 124.06 0.944 . . . . 52.23 108.55 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -79.79 -3.13 12.64 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.585 2.19 . . . . 72.22 112.791 -172.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -78.96 -50.2 11.53 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.191 0.996 . . . . 73.45 109.672 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.18 137.1 22.22 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.369 0.668 . . . . 75.13 110.467 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -76.08 171.25 14.78 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.787 0.835 . . . . 73.23 111.04 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.54 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 67.5 p -70.49 -48.16 57.07 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.817 0.673 . . . . 34.41 112.817 -171.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.1 p -62.72 -38.96 92.51 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.277 0.631 . . . . 73.43 110.859 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.432 HG23 HD23 ' A' ' 91' ' ' LEU . 49.7 mm -73.54 -47.79 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.592 -0.731 . . . . 60.23 110.218 -178.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 44.0 tp -61.49 -34.19 75.06 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.899 0.749 . . . . 55.43 110.548 178.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.93 -53.63 56.24 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.458 0.703 . . . . 65.21 109.812 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -62.86 -40.51 97.71 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.544 -0.753 . . . . 72.33 111.349 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.453 ' HA ' HD11 ' A' ' 103' ' ' LEU . 56.0 t -57.77 -40.25 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.292 0.637 . . . . 75.02 110.225 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.576 ' HB3' HD12 ' A' ' 16' ' ' ILE . 71.0 mt -74.67 -31.62 61.97 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.166 -0.925 . . . . 75.02 111.954 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -70.8 -37.56 73.27 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.187 0.595 . . . . 75.15 111.918 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -67.18 -40.98 86.66 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 121.128 0.49 . . . . 72.23 109.993 173.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.637 ' SG ' HD13 ' A' ' 100' ' ' ILE . 99.1 m -64.71 -34.88 79.34 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.639 -0.71 . . . . 53.1 111.093 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -64.48 -41.09 96.69 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.39 0.676 . . . . 73.5 109.945 173.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -56.59 -39.17 73.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.648 0.779 . . . . 65.34 110.955 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.483 ' ND1' ' SD ' ' A' ' 23' ' ' MET . 58.6 t-80 -74.47 -29.24 61.37 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.607 0.567 . . . . 73.04 111.641 179.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -79.11 -27.72 42.92 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 122.151 -0.343 . . . . 54.13 110.842 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -80.53 -36.24 33.4 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.504 0.722 . . . . 74.04 110.222 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -137.22 92.05 14.1 Favored Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 124.6 1.16 . . . . 73.13 107.963 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.48 -37.54 96.94 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 123.27 2.647 . . . . 74.54 112.952 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.3 -92.89 0.59 Allowed Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.747 -0.66 . . . . 65.02 112.012 -177.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.46 -52.63 4.73 Favored Glycine 0 C--N 1.349 1.256 0 N-CA-C 112.228 -0.349 . . . . 72.05 112.228 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.4 p -79.6 177.25 9.02 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.174 0.99 . . . . 64.34 111.201 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.4 88.07 1.45 Allowed Glycine 0 C--N 1.341 0.845 0 N-CA-C 111.296 -0.721 . . . . 44.41 111.296 173.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.22 94.05 0.1 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.615 0.766 . . . . 73.43 109.751 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -79.99 72.31 6.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.79 0.805 . . . . 74.25 109.741 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -171.17 119.01 0.48 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 114.41 -1.268 . . . . 73.22 107.857 -177.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.0 mt -85.48 112.13 42.02 Favored Pre-proline 0 CA--C 1.547 0.862 0 N-CA-C 109.141 -0.688 . . . . 54.23 109.141 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -77.85 130.63 10.62 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.611 2.207 . . . . 74.43 110.955 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -48.55 -38.57 36.03 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 123.784 2.989 . . . . 71.44 114.055 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -58.31 -55.21 37.94 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.662 0.785 . . . . 72.24 111.58 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.27 -27.42 65.41 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.471 0.708 . . . . 75.0 111.441 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -66.91 -49.12 66.57 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.122 0.569 . . . . 71.42 110.451 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -67.54 -24.94 65.6 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.333 0.653 . . . . 65.13 111.694 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -63.15 -44.48 95.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.774 0.829 . . . . 63.54 110.494 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.7 m -74.78 -12.84 60.5 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.309 -0.86 . . . . 61.22 111.838 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -79.16 83.23 5.24 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 121.257 0.551 . . . . 63.34 109.995 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 m -132.42 169.51 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.604 1.161 . . . . 74.42 108.877 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -75.82 170.08 16.91 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.826 0.45 . . . . 74.43 110.046 -177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -61.29 -52.1 73.3 Favored Pre-proline 0 CA--C 1.562 1.409 0 N-CA-C 113.544 0.942 . . . . 74.31 113.544 -172.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 31.3 Cg_endo -60.43 -35.41 90.91 Favored 'Trans proline' 0 C--N 1.391 2.782 0 C-N-CA 121.716 1.611 . . . . 75.2 111.583 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.4 m -66.96 -32.15 73.21 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.374 1.07 . . . . 70.21 111.487 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.4 mt -60.4 -48.85 79.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.878 0.871 . . . . 74.43 110.12 172.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -66.16 -31.53 72.43 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 115.5 -0.773 . . . . 74.32 111.643 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 37.4 mm-40 -66.12 -37.84 86.71 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.12 0.568 . . . . 74.35 111.049 176.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.448 ' HB2' HG21 ' A' ' 107' ' ' THR . 95.7 mt -70.75 -34.77 72.19 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.148 0.579 . . . . 44.22 110.924 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.02 -48.54 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.357 0.663 . . . . 53.54 109.685 173.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.58 -44.21 94.74 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.754 0.822 . . . . 74.34 111.057 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.1 73.14 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.504 0.722 . . . . 72.12 111.773 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.479 ' HB2' HD22 ' A' ' 103' ' ' LEU . . . -68.4 -37.68 80.59 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.986 0.514 . . . . 70.43 111.258 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -69.65 -38.52 77.17 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.496 0.718 . . . . 75.04 110.781 175.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.66 -33.4 75.86 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.348 1.059 . . . . 75.2 111.187 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.417 HD12 HG11 ' A' ' 54' ' ' VAL . 85.7 mt -99.5 -5.54 29.11 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.319 0.648 . . . . 74.12 111.764 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.437 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 3.1 m-20 59.13 30.06 19.75 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.636 1.174 . . . . 73.11 112.05 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.637 HD13 ' SG ' ' A' ' 58' ' ' CYS . 66.1 mt -78.84 87.94 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.585 0 N-CA-C 108.176 -1.046 . . . . 51.15 108.176 173.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.04 -44.2 99.59 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 117.746 -1.121 . . . . 73.15 113.551 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -52.79 -52.94 7.71 Favored 'Trans proline' 0 C--N 1.392 2.849 0 C-N-CA 122.111 1.874 . . . . 55.11 113.447 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 95' ' ' ALA . 5.2 tt -65.49 -46.2 80.64 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.369 0.668 . . . . 61.41 110.364 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.869 HD21 HD21 ' B' ' 104' ' ' LEU . 57.2 tp -59.79 -41.42 91.14 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.997 0.919 . . . . 73.05 111.486 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -60.53 -50.67 72.62 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.19 0.996 . . . . 71.32 110.231 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.94 -50.69 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.374 -0.83 . . . . 63.54 111.362 -178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.448 HG21 ' HB2' ' A' ' 91' ' ' LEU . 25.3 m -70.68 -35.79 73.0 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 112.353 0.501 . . . . 70.32 112.353 -171.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.5 m -65.02 -35.37 80.96 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.734 0.414 . . . . 62.24 110.295 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -76.01 -31.39 58.9 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.121 0.569 . . . . 52.42 111.657 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -63.78 -47.2 81.88 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.326 0.65 . . . . 73.24 110.579 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.0 m -65.44 -32.52 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 116.098 -0.501 . . . . 63.53 110.684 176.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.58 -26.96 62.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.408 0.683 . . . . 45.44 111.968 176.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 116' ' ' ARG . 33.6 m-80 -70.55 -25.3 63.04 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.938 0.495 . . . . 63.41 111.781 177.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 54.4 mtm -71.83 -36.73 70.29 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.299 0.571 . . . . 65.03 110.966 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 43.2 pt -100.21 3.79 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.055 0.942 . . . . 51.02 111.467 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.467 ' HB2' ' HA ' ' A' ' 113' ' ' ASN . 63.8 ttt-85 -51.89 71.25 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 126.828 2.051 . . . . 72.13 114.734 -169.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 2.255 0 C-N-CA 124.943 1.259 . . . . 75.23 115.697 179.429 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.986 0.422 . . . . 54.04 110.543 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.8 mt -83.43 117.35 23.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.779 0.432 . . . . 74.52 110.579 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 26.1 m -85.16 131.27 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 108.746 -0.835 . . . . 60.1 108.746 168.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.483 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 87.0 mttt -103.09 125.6 49.88 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.11 -0.7 . . . . 62.2 109.11 -172.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -119.85 97.21 5.51 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.527 0.731 . . . . 74.42 109.707 -172.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.13 109.55 8.71 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.374 -0.602 . . . . 62.41 109.374 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 34.9 p -64.33 -175.17 0.15 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.987 0.915 . . . . 74.33 112.095 176.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -58.16 -29.92 65.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.788 0.835 . . . . 75.51 111.015 172.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.554 ' HB2' ' HB3' ' B' ' 48' ' ' SER . 4.6 m-20 -89.46 9.62 25.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.272 1.029 . . . . 75.0 111.929 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 62.95 18.39 10.82 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.568 1.147 . . . . 64.15 112.907 175.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -77.86 121.39 24.05 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.754 -0.832 . . . . 74.4 108.754 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.06 95.58 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 O-C-N 124.18 0.925 . . . . 70.33 109.935 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -85.62 89.56 7.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.421 0.689 . . . . 73.0 110.509 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -78.42 100.33 6.77 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.616 -1.175 . . . . 55.44 109.079 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.559 HD12 ' HB3' ' B' ' 55' ' ' LEU . 19.6 tt -129.97 151.77 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 108.962 -0.755 . . . . 65.13 108.962 -178.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -59.68 136.65 58.06 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.153 0.581 . . . . 63.43 111.078 -178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' B' ' 18' ' ' LYS . 31.1 ttpt -56.51 -39.76 73.85 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.37 1.068 . . . . 71.44 111.541 -178.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.49 -38.79 60.25 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.493 1.117 . . . . 64.13 111.382 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.518 HG21 HD11 ' B' ' 16' ' ' ILE . 33.8 mt -73.24 -42.26 58.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-N 114.515 -1.221 . . . . 71.3 110.017 -177.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.16 -10.78 59.68 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 115.352 -0.84 . . . . 73.43 112.59 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 83.1 m -73.34 -25.17 60.51 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.1 0.56 . . . . 74.12 111.484 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' MET . . . . . 0.478 ' SD ' ' ND1' ' B' ' 61' ' ' HIS . 50.1 mtm -70.38 -33.34 71.29 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.281 0.562 . . . . 72.45 110.12 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.2 t -69.16 108.06 3.46 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.736 -1.12 . . . . 32.32 108.132 168.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' B' ' 99' ' ' ASP . 66.5 t -59.44 -41.07 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.578 0.751 . . . . 72.42 110.495 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 32.6 m -65.34 -52.74 51.84 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.711 0.804 . . . . 71.22 112.232 -176.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.403 HG13 HD22 ' B' ' 98' ' ' LEU . 83.1 mt -63.46 -42.73 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 122.712 0.405 . . . . 71.42 109.949 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -60.29 -45.04 94.74 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.381 0.673 . . . . 63.12 110.68 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -66.57 -32.0 73.06 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.483 0.49 . . . . 75.02 111.816 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.5 mtt -66.54 -41.63 88.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.654 0.596 . . . . 70.21 110.457 175.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.03 -48.43 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 C-N-CA 123.364 0.666 . . . . 62.02 109.839 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.58 -35.58 81.45 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.915 0.886 . . . . 50.25 111.684 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.47 -43.45 80.97 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.164 0.986 . . . . 72.3 110.746 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -71.3 -27.35 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.283 -0.871 . . . . 65.32 109.91 174.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.16 18.43 49.99 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 116.021 -0.536 . . . . 42.44 112.078 -176.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 68.4 97.02 0.06 Allowed 'General case' 0 C--N 1.351 0.655 0 C-N-CA 125.717 1.607 . . . . 65.01 111.224 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 59.4 p -113.69 -178.78 3.46 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.452 1.101 . . . . 73.22 109.204 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -83.0 -11.5 58.06 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.969 -0.559 . . . . 75.34 110.378 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -60.23 132.69 90.31 Favored Pre-proline 0 C--N 1.358 0.935 0 C-N-CA 124.073 0.949 . . . . 62.54 110.557 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.483 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 60.9 Cg_endo -70.7 161.19 46.93 Favored 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 122.943 2.428 . . . . 73.13 111.74 176.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.65 93.54 12.25 Favored Pre-proline 0 CA--C 1.551 0.982 0 N-CA-C 107.635 -1.246 . . . . 71.21 107.635 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.83 127.17 12.69 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.564 2.176 . . . . 52.22 111.056 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.8 mt -108.39 84.28 2.27 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 124.055 0.942 . . . . 73.05 108.794 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -79.95 -3.18 12.61 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 122.564 2.176 . . . . 65.23 112.841 -173.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -78.1 -50.8 11.33 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.123 0.969 . . . . 71.44 109.414 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.25 136.83 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.533 0.733 . . . . 73.11 110.534 -176.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 70.6 p -75.83 171.45 14.37 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.774 0.83 . . . . 65.23 111.192 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.554 ' HB3' ' HB2' ' B' ' 10' ' ' ASP . 61.4 p -69.94 -48.5 58.19 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.236 0.614 . . . . 71.2 112.635 -171.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 55.1 p -63.24 -38.3 90.61 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.184 0.593 . . . . 75.24 110.958 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.425 HG23 HD23 ' B' ' 91' ' ' LEU . 50.7 mm -74.03 -47.66 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 115.398 -0.819 . . . . 74.23 110.092 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 44.5 tp -61.65 -33.95 74.85 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.964 0.79 . . . . 63.3 110.652 178.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.93 -53.86 53.68 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.399 0.68 . . . . 63.31 109.688 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -62.67 -40.59 97.55 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 123.909 0.756 . . . . 64.22 111.387 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.459 ' HA ' HD11 ' B' ' 103' ' ' LEU . 55.7 t -57.67 -40.37 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.219 0.608 . . . . 74.43 110.275 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.559 ' HB3' HD12 ' B' ' 16' ' ' ILE . 71.3 mt -74.48 -31.54 62.26 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.293 -0.867 . . . . 63.13 111.91 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -70.66 -37.62 73.71 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.222 0.609 . . . . 74.33 111.901 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -67.41 -40.78 85.59 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.061 0.544 . . . . 71.42 110.025 173.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' B' ' 100' ' ' ILE . 98.3 m -64.8 -35.17 80.23 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.576 -0.738 . . . . 74.02 110.95 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.55 -40.79 96.23 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.417 0.687 . . . . 71.54 110.072 173.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -56.91 -39.23 74.06 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.54 0.736 . . . . 64.42 110.842 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.478 ' ND1' ' SD ' ' B' ' 23' ' ' MET . 57.0 t-80 -74.29 -29.94 61.86 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.979 -0.555 . . . . 72.24 111.565 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -78.27 -29.11 47.84 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 120.937 0.398 . . . . 43.51 111.033 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -78.5 -36.92 44.34 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.668 0.787 . . . . 74.3 110.376 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -137.36 92.64 13.42 Favored Pre-proline 0 CA--C 1.547 0.838 0 N-CA-C 108.05 -1.093 . . . . 74.42 108.05 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.83 -37.58 95.86 Favored 'Trans proline' 0 C--N 1.381 2.288 0 C-N-CA 123.304 2.67 . . . . 72.43 112.931 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.21 -91.77 0.47 Allowed Glycine 0 C--N 1.346 1.096 0 CA-C-N 115.51 -0.768 . . . . 53.13 112.117 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.23 -51.97 4.64 Favored Glycine 0 C--N 1.35 1.331 0 N-CA-C 112.166 -0.374 . . . . 60.45 112.166 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 51.3 p -79.84 178.59 8.09 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 124.112 0.965 . . . . 62.33 111.102 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.73 86.68 1.51 Allowed Glycine 0 C--N 1.342 0.894 0 N-CA-C 111.45 -0.66 . . . . 64.41 111.45 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.03 94.38 0.07 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.829 0.852 . . . . 74.14 109.868 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -80.83 72.22 7.8 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.833 0.825 . . . . 63.3 109.232 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -171.67 116.89 0.4 Allowed 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.294 -1.321 . . . . 73.22 108.065 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 69.3 mt -84.85 111.56 36.29 Favored Pre-proline 0 N--CA 1.476 0.839 0 N-CA-C 108.981 -0.748 . . . . 71.41 108.981 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -77.36 130.66 11.11 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.56 2.174 . . . . 72.42 111.108 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -48.57 -39.42 37.17 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 123.782 2.988 . . . . 72.14 113.713 176.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -58.0 -54.83 42.51 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.718 0.807 . . . . 63.32 111.645 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.75 -27.6 66.06 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.372 0.669 . . . . 63.13 111.549 -175.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 52.1 ttt-85 -67.14 -49.54 64.45 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.024 0.53 . . . . 73.32 110.213 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.72 -24.0 65.33 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.527 0.731 . . . . 74.14 111.442 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.92 -45.5 88.98 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.736 0.815 . . . . 75.32 110.398 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.51 -13.17 61.0 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.179 -0.919 . . . . 73.42 111.719 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -78.5 83.4 4.7 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 121.143 0.496 . . . . 73.44 110.123 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.62 169.9 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.517 1.127 . . . . 71.41 109.014 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -76.77 170.05 17.17 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.003 0.521 . . . . 65.14 109.905 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.83 -52.7 70.52 Favored Pre-proline 0 N--CA 1.488 1.443 0 N-CA-C 113.617 0.969 . . . . 75.01 113.617 -172.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.412 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 31.1 Cg_endo -60.34 -35.74 90.1 Favored 'Trans proline' 0 C--N 1.389 2.691 0 C-N-CA 121.887 1.725 . . . . 60.25 111.624 175.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 16.1 m -67.07 -31.93 72.76 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.329 1.052 . . . . 73.24 111.42 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.95 -49.21 78.57 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.982 0.913 . . . . 72.21 109.989 172.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -66.17 -31.5 72.37 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 115.588 -0.733 . . . . 74.1 111.76 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 33.6 mm-40 -66.4 -37.29 84.9 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.509 0.506 . . . . 43.22 110.925 176.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.445 ' HB2' HG21 ' B' ' 107' ' ' THR . 95.6 mt -70.87 -34.75 71.94 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.19 0.596 . . . . 73.54 110.787 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.99 -48.41 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.354 0.662 . . . . 71.34 109.811 173.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.65 -44.52 93.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.864 0.866 . . . . 54.43 111.039 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.57 -43.85 75.67 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.932 0.77 . . . . 41.12 111.695 -176.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.482 ' HB2' HD22 ' B' ' 103' ' ' LEU . . . -68.99 -37.71 78.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.1 -0.5 . . . . 63.42 111.419 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -70.11 -37.59 75.4 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.535 0.734 . . . . 74.45 111.168 175.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.36 -32.33 73.92 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.351 1.06 . . . . 74.32 111.076 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.432 HD12 HG11 ' B' ' 54' ' ' VAL . 85.4 mt -100.65 -5.24 26.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.115 0.566 . . . . 72.15 111.914 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' ASP . . . . . 0.454 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 3.2 m-20 59.27 29.28 18.82 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.683 1.193 . . . . 73.45 112.169 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.643 HD13 ' SG ' ' B' ' 58' ' ' CYS . 65.7 mt -78.3 87.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.444 0 N-CA-C 108.24 -1.022 . . . . 72.31 108.24 173.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -55.51 -44.9 99.89 Favored Pre-proline 0 CA--C 1.562 1.405 0 CA-C-O 117.575 -1.202 . . . . 73.24 113.403 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.59 -52.72 8.24 Favored 'Trans proline' 0 C--N 1.393 2.92 0 C-N-CA 122.2 1.933 . . . . 51.24 113.639 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.482 HD22 ' HB2' ' B' ' 95' ' ' ALA . 5.3 tt -65.61 -46.61 78.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.358 0.663 . . . . 62.12 110.414 -177.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 104' ' ' LEU . 56.2 tp -59.5 -41.56 90.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.97 0.908 . . . . 74.31 111.56 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.54 -49.91 75.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.118 0.967 . . . . 65.33 110.348 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.49 -50.72 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.38 -0.827 . . . . 72.21 111.53 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.445 HG21 ' HB2' ' B' ' 91' ' ' LEU . 26.0 m -70.63 -35.72 73.08 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.901 0.48 . . . . 43.2 112.205 -171.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 70.8 m -65.11 -34.69 78.99 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.793 0.437 . . . . 71.22 110.586 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -76.49 -31.79 57.94 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.18 0.592 . . . . 55.53 111.695 174.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 97.1 m -63.28 -47.52 81.97 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.332 0.653 . . . . 74.14 110.355 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 m -65.66 -32.67 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 CA-C-N 115.916 -0.584 . . . . 72.23 110.75 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.64 -26.88 62.73 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.433 0.693 . . . . 73.53 111.677 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -70.85 -25.17 62.7 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.961 0.504 . . . . 74.54 111.836 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 54.3 mtm -71.3 -36.6 71.69 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.203 0.525 . . . . 73.14 110.626 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.7 pt -102.17 5.18 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 C-N-CA 124.545 1.138 . . . . 74.44 112.112 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 -39.9 -17.66 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 118.058 2.614 . . . . 75.42 118.058 -162.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 117.961 1.945 . . . . 73.01 117.961 174.438 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.952 0.406 . . . . 71.04 111.379 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.34 118.14 11.04 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.594 0.758 . . . . 74.41 110.431 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.6 m -79.31 127.02 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 121.612 0.72 . . . . 73.45 109.57 174.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.512 ' HB3' HG13 ' A' ' 13' ' ' VAL . 90.9 mttt -88.74 113.69 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.071 -0.968 . . . . 75.21 109.469 -172.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.563 HD13 HD13 ' A' ' 27' ' ' ILE . 62.6 mt -115.63 103.73 11.0 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.656 -0.868 . . . . 62.52 108.656 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.669 ' HB2' ' HB3' ' A' ' 42' ' ' PRO . 6.1 mp0 -76.72 150.35 36.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.219 0.533 . . . . 71.42 110.028 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.5 p -89.39 -174.39 4.36 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.7 0.8 . . . . 73.04 111.22 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.6 t -57.91 -33.02 68.31 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.565 0.746 . . . . 55.43 110.295 167.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.61 1.73 40.8 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.433 1.093 . . . . 62.1 111.908 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 64.91 20.86 12.23 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.816 1.247 . . . . 73.25 112.22 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -80.1 123.57 27.99 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.343 -0.614 . . . . 74.41 109.343 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.512 HG13 ' HB3' ' A' ' 5' ' ' LYS . 96.5 t -75.89 103.74 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.466 1.106 . . . . 75.44 110.92 -172.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -94.76 94.01 7.84 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.352 -0.61 . . . . 73.13 109.352 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 33.6 mt-10 -74.41 79.74 1.89 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.049 -0.978 . . . . 72.34 108.709 178.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 tp -91.36 146.71 5.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.15 -0.932 . . . . 71.44 108.864 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.58 135.1 55.63 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 108.633 -0.877 . . . . 63.13 108.633 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -61.64 -35.33 77.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.593 0.757 . . . . 75.44 112.768 -166.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -72.53 -26.92 61.94 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.867 0.467 . . . . 74.23 110.759 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mt -73.25 -35.66 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-O 121.158 0.504 . . . . 72.11 109.729 172.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -25.18 63.64 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.216 0.607 . . . . 54.51 110.83 173.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.492 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 78.3 m -75.82 -28.31 58.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.273 0.629 . . . . 62.4 111.35 173.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.8 mtp -61.81 -33.11 73.55 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.407 0.622 . . . . 71.23 109.945 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.528 ' HA ' HG12 ' A' ' 100' ' ' ILE . 37.6 t -73.72 104.2 4.56 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.924 -1.139 . . . . 72.43 107.924 164.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.52 -38.23 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 122.547 0.339 . . . . 73.23 111.571 -171.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.4 m -61.05 -48.66 80.71 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.943 0.497 . . . . 72.35 111.481 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.563 HD13 HD13 ' A' ' 6' ' ' LEU . 75.3 mt -66.18 -39.26 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 122.714 0.406 . . . . 75.22 110.042 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 22.7 ttpp -57.04 -46.72 82.2 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.966 0.906 . . . . 75.31 110.812 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.42 -43.66 98.49 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.119 0.887 . . . . 74.14 110.323 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.6 mtt -58.96 -46.06 89.0 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.988 0.805 . . . . 72.31 110.649 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.55 -46.82 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.802 0.841 . . . . 75.12 110.163 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.89 -40.46 97.6 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.525 0.73 . . . . 65.32 111.876 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -64.23 -44.05 93.05 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.9 0.48 . . . . 72.03 111.014 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.95 -28.58 33.93 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.517 -0.765 . . . . 61.34 110.488 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.67 24.28 16.18 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 116.476 -0.329 . . . . 60.52 112.446 -177.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 67.44 92.07 0.08 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.808 1.643 . . . . 74.34 111.06 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.6 p -108.43 163.17 13.45 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.503 0.721 . . . . 54.11 111.006 -177.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -18.97 51.89 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.859 0.864 . . . . 54.33 110.394 173.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.0 p -57.42 125.83 72.89 Favored Pre-proline 0 CA--C 1.551 1.001 0 O-C-N 124.226 0.954 . . . . 70.04 111.784 -175.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.7 Cg_endo -69.54 135.18 30.3 Favored 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 122.51 2.14 . . . . 63.42 111.528 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.8 mm -107.43 97.45 19.4 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 122.972 0.509 . . . . 72.53 109.647 -175.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.669 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 74.4 Cg_endo -75.38 131.42 13.85 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 122.386 2.057 . . . . 62.43 111.911 175.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.03 96.33 6.71 Favored Pre-proline 0 CA--C 1.553 1.061 0 N-CA-C 108.409 -0.96 . . . . 63.41 108.409 172.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -76.22 -9.47 19.08 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 122.83 2.353 . . . . 53.11 113.425 -174.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -70.61 -52.22 22.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.713 0.805 . . . . 63.24 110.501 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.407 HG11 HD13 ' A' ' 51' ' ' LEU . 9.0 p -89.99 135.68 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 115.593 -0.73 . . . . 53.22 110.056 -174.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.7 p -78.91 172.66 13.47 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.363 0.665 . . . . 70.44 111.092 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.3 p -65.22 -48.28 73.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.496 0.718 . . . . 72.3 112.356 -173.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.5 m -63.7 -45.37 90.32 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.788 0.68 . . . . 63.52 111.266 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.2 mm -70.48 -44.23 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 122.457 0.303 . . . . 71.51 110.229 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.407 HD13 HG11 ' A' ' 46' ' ' VAL . 49.7 tp -61.9 -40.49 95.64 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.046 0.539 . . . . 75.12 110.34 178.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.99 -49.84 76.35 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 123.839 0.712 . . . . 62.44 110.417 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -66.98 -42.31 85.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 124.34 1.025 . . . . 64.31 111.919 -176.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.37 -38.45 80.83 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 N-CA-C 109.889 -0.411 . . . . 73.34 109.889 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.73 -30.16 65.31 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.856 0.462 . . . . 72.2 111.084 173.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -71.12 -35.98 71.96 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.71 0.804 . . . . 63.31 109.772 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -68.22 -43.34 78.18 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 115.696 -0.684 . . . . 71.15 109.789 170.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.646 ' SG ' HD13 ' A' ' 100' ' ' ILE . 78.3 m -61.87 -31.26 71.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 122.363 0.265 . . . . 72.53 111.001 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 24.5 mtp180 -66.02 -49.3 68.21 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.902 0.881 . . . . 72.03 109.792 171.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -54.4 -46.63 73.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.483 1.113 . . . . 73.12 111.812 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -80.26 -15.62 56.54 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.627 0.771 . . . . 72.01 111.011 -176.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -79.61 -47.23 15.79 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.438 0.695 . . . . 74.13 110.01 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 16.2 mm100 -72.29 -30.45 64.82 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.342 -0.845 . . . . 64.55 110.155 -178.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -135.05 99.79 12.15 Favored Pre-proline 0 CA--C 1.538 0.516 0 C-N-CA 124.059 0.944 . . . . 71.22 108.929 175.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -48.81 -36.91 34.77 Favored 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.884 2.389 . . . . 71.51 112.289 169.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -110.89 -115.56 3.59 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-N 114.463 -1.244 . . . . 71.11 110.209 170.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.91 18.46 40.13 Favored Glycine 0 CA--C 1.545 1.917 0 CA-C-O 119.975 -0.347 . . . . 71.11 113.228 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.538 ' O ' ' HB3' ' A' ' 72' ' ' ASP . 22.4 m -169.67 146.42 3.28 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 125.802 1.641 . . . . 65.13 111.514 -164.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.748 ' HA3' ' HB3' ' A' ' 72' ' ' ASP . . . 169.8 -113.07 0.5 Allowed Glycine 1 N--CA 1.526 4.699 0 N-CA-C 118.998 2.359 . . . . 52.44 118.998 -173.251 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.665 ' H ' ' N ' ' A' ' 72' ' ' ASP . 23.1 tp 175.37 -36.31 0.01 OUTLIER 'General case' 0 N--CA 1.525 3.322 0 C-N-CA 130.886 3.674 . . . . 71.13 105.474 169.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -78.03 11.3 2.33 Favored 'General case' 0 CA--C 1.566 1.594 0 CA-C-N 111.639 -2.528 . . . . 61.42 108.651 144.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.748 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -172.52 -6.26 0.01 OUTLIER 'General case' 1 CA--C 1.665 5.391 0 CA-C-O 116.641 -1.647 . . . . 72.41 112.085 -170.702 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.625 ' HA ' ' H ' ' A' ' 69' ' ' GLY . 2.2 mt -38.23 136.13 0.84 Allowed Pre-proline 2 N--CA 1.603 7.199 0 CA-C-N 123.069 2.668 . . . . 74.44 113.338 -161.661 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -95.64 141.72 1.05 Allowed 'Trans proline' 0 C--N 1.396 3.05 0 C-N-CA 121.483 1.456 . . . . 63.11 111.992 169.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.68 -22.52 64.23 Favored 'Trans proline' 0 CA--C 1.551 1.347 0 C-N-CA 122.239 1.959 . . . . 71.34 111.732 169.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -56.78 -54.22 48.82 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.529 1.531 . . . . 73.53 111.394 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -71.38 -22.86 61.83 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.216 -0.902 . . . . 32.1 112.056 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -60.72 -41.56 95.53 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 109.977 -0.379 . . . . 61.42 109.977 173.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.78 -38.73 87.14 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 123.689 0.618 . . . . 53.33 110.873 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.507 ' CZ ' HD21 ' A' ' 103' ' ' LEU . 61.0 t80 -59.26 -41.15 88.13 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.577 0.751 . . . . 73.34 110.818 175.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.97 -2.53 21.39 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.84 0.856 . . . . 74.51 112.603 -174.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -77.17 83.71 3.65 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 121.734 0.778 . . . . 75.24 109.505 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.519 HG11 HD11 ' A' ' 91' ' ' LEU . 15.9 m -134.11 162.04 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.021 1.328 . . . . 54.23 109.216 -177.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.49 172.62 10.85 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.237 -1.023 . . . . 75.1 108.237 169.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.421 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 23.1 tp60 -61.81 -49.84 84.21 Favored Pre-proline 0 CA--C 1.568 1.666 0 CA-C-O 118.303 -0.856 . . . . 72.22 112.446 -175.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.421 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 49.3 Cg_exo -58.71 -41.1 66.93 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 122.064 1.843 . . . . 72.51 112.584 173.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.9 m -65.43 -30.24 71.01 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.083 0.953 . . . . 72.5 111.567 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.03 -44.96 87.4 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.008 0.923 . . . . 75.23 108.941 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.471 ' HE1' ' HE1' ' B' ' 89' ' ' PHE . 35.3 m-85 -68.23 -30.61 69.72 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.529 -0.76 . . . . 73.22 111.549 177.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -60.02 -35.88 76.02 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.016 0.526 . . . . 71.32 111.367 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.519 HD11 HG11 ' A' ' 83' ' ' VAL . 82.9 mt -67.73 -39.04 84.31 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.427 0.691 . . . . 61.21 110.5 176.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.7 -42.81 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.631 0.772 . . . . 73.54 110.301 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.22 -43.15 87.52 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.135 0.974 . . . . 73.21 110.673 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.66 -37.26 70.82 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.613 0.765 . . . . 70.22 111.448 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.61 -32.54 66.02 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.833 0.453 . . . . 64.25 111.568 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -75.37 -37.8 60.4 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.253 0.621 . . . . 73.24 110.022 175.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -66.57 -46.69 75.18 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.812 0.845 . . . . 61.45 111.125 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.405 HD22 HD11 ' A' ' 27' ' ' ILE . 98.8 mt -89.26 -7.41 55.51 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.686 0.794 . . . . 52.44 111.567 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.8 t0 61.5 34.12 18.16 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.673 1.189 . . . . 72.25 110.991 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.646 HD13 ' SG ' ' A' ' 58' ' ' CYS . 36.8 mt -87.61 80.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.429 0 N-CA-C 108.254 -1.017 . . . . 74.23 108.254 174.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.5 -37.12 38.24 Favored Pre-proline 0 CA--C 1.554 1.099 0 CA-C-N 114.212 -1.358 . . . . 72.32 113.518 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -46.96 -42.54 25.35 Favored 'Trans proline' 0 C--N 1.397 3.101 0 C-N-CA 121.866 1.711 . . . . 61.14 113.091 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.2 tm? -79.62 -43.64 22.5 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.987 -0.375 . . . . 73.02 109.987 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.415 HD21 HD21 ' B' ' 104' ' ' LEU . 59.2 tp -55.65 -44.58 77.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.064 0.946 . . . . 72.11 111.269 -177.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -70.28 -42.74 71.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.058 0.849 . . . . 73.01 111.04 -175.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.0 t -61.05 -42.17 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.084 0.554 . . . . 54.22 110.578 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -71.77 -30.49 65.62 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.558 0.743 . . . . 42.33 110.88 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.449 ' HB3' HD23 ' B' ' 93' ' ' LEU . 89.8 m -69.92 -33.64 72.44 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.499 0.72 . . . . 54.12 110.287 173.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -71.56 -32.99 68.71 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.701 0.4 . . . . 74.05 110.472 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 83.8 m -60.52 -46.85 88.62 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.073 0.549 . . . . 74.01 110.691 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.77 -36.41 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.622 0.369 . . . . 51.41 111.419 177.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 116' ' ' ARG . . . -63.68 -42.68 97.99 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.269 0.627 . . . . 65.11 111.585 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -63.4 -34.52 77.92 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.541 0.737 . . . . 60.43 111.791 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 59.4 mtm -78.78 -20.79 49.02 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.993 0.517 . . . . 73.34 111.867 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.457 HG21 ' HD2' ' B' ' 89' ' ' PHE . 41.0 pt -101.33 -1.06 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 112.346 0.498 . . . . 74.15 112.346 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 112' ' ' ALA . 64.3 mtp180 -64.28 93.59 0.1 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.657 0.383 . . . . 70.21 110.182 175.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 CA-C-O 119.377 -0.68 . . . . 71.1 112.102 178.02 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.5 p . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.88 0.371 . . . . 63.44 110.947 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.36 118.18 11.92 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.902 0.881 . . . . 71.23 110.247 178.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 19.3 m -80.4 127.24 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-O 121.632 0.729 . . . . 74.15 109.531 174.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.504 ' HB3' HG13 ' B' ' 13' ' ' VAL . 90.1 mttt -88.5 113.73 24.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.979 -1.01 . . . . 65.05 109.496 -172.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.568 HD13 HD13 ' B' ' 27' ' ' ILE . 63.2 mt -115.54 103.57 10.87 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.493 -0.929 . . . . 53.31 108.493 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.656 ' HB2' ' HB3' ' B' ' 42' ' ' PRO . 5.7 mp0 -76.12 150.15 37.26 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.229 0.538 . . . . 62.42 110.001 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 25.6 p -89.57 -174.16 4.23 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.727 0.811 . . . . 73.22 111.242 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.5 t -58.57 -32.48 68.97 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.677 -0.692 . . . . 64.05 110.493 167.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -83.9 2.22 39.61 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.236 1.015 . . . . 72.11 111.553 177.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 65.23 19.36 11.7 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.996 1.318 . . . . 75.24 112.299 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -79.08 123.25 27.16 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 109.187 -0.671 . . . . 42.34 109.187 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.504 HG13 ' HB3' ' B' ' 5' ' ' LYS . 90.9 t -75.16 105.38 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.521 1.128 . . . . 74.55 110.697 -173.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -96.05 94.64 7.68 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.424 -0.584 . . . . 75.53 109.424 175.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.46 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 33.9 mt-10 -74.72 77.97 2.05 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.24 -0.891 . . . . 64.43 109.136 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.7 tp -89.85 146.69 5.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.436 -0.802 . . . . 64.02 109.115 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -64.83 135.91 56.29 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.664 -0.865 . . . . 64.41 108.664 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -62.41 -34.71 77.29 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.811 0.671 . . . . 74.03 112.811 -165.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -72.1 -27.8 62.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.788 0.435 . . . . 70.11 110.805 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 30.1 mt -72.97 -35.67 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 109.663 -0.495 . . . . 73.4 109.663 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.79 -25.4 63.77 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.14 0.576 . . . . 61.44 110.843 173.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' CYS . . . . . 0.482 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 78.1 m -75.58 -27.87 58.72 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.26 0.624 . . . . 70.3 111.253 173.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 87.4 mtp -62.6 -33.21 74.52 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.316 0.579 . . . . 71.45 109.795 173.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.528 ' HA ' HG12 ' B' ' 100' ' ' ILE . 37.4 t -73.73 104.35 4.61 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 107.878 -1.156 . . . . 62.42 107.878 164.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.38 -38.38 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.617 0.367 . . . . 65.23 111.722 -171.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 99.5 m -61.46 -48.48 80.95 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.032 0.533 . . . . 63.13 111.43 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.568 HD13 HD13 ' B' ' 6' ' ' LEU . 75.5 mt -65.77 -39.39 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 122.755 0.422 . . . . 71.41 109.899 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.482 ' HB2' ' HA ' ' B' ' 22' ' ' CYS . 22.2 ttpp -57.36 -46.51 83.27 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.907 0.883 . . . . 74.52 110.767 176.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -61.94 -42.56 99.25 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 123.951 0.782 . . . . 60.44 110.516 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 65.3 mtt -59.13 -46.59 87.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.622 0.769 . . . . 72.11 110.692 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 88.7 mt -57.66 -47.08 86.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 123.901 0.88 . . . . 73.01 110.134 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.85 -41.04 99.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.572 0.749 . . . . 72.13 111.781 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -64.31 -43.55 94.35 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.033 0.533 . . . . 73.53 111.027 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.16 -28.64 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 115.818 -0.628 . . . . 74.43 110.66 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.21 29.53 10.2 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 112.04 -0.424 . . . . 31.42 112.04 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 62.91 91.08 0.07 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.63 1.572 . . . . 75.0 111.065 177.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 33.7 p -106.96 165.06 11.62 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.594 0.758 . . . . 75.13 110.602 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -17.34 50.64 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.721 -0.672 . . . . 72.33 109.799 174.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 79.5 p -57.56 125.58 72.64 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 123.641 0.776 . . . . 64.21 111.867 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.479 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 59.1 Cg_endo -69.19 134.68 29.81 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.504 2.136 . . . . 74.43 111.247 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mm -107.28 97.72 19.95 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.108 0.563 . . . . 73.44 109.581 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.656 ' HB3' ' HB2' ' B' ' 7' ' ' GLU . 73.3 Cg_endo -76.16 129.84 11.65 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.489 2.126 . . . . 72.11 112.117 176.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.54 96.57 5.46 Favored Pre-proline 0 CA--C 1.554 1.1 0 N-CA-C 108.466 -0.939 . . . . 74.5 108.466 172.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -76.43 -9.72 18.83 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.93 2.42 . . . . 73.32 113.464 -175.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -70.1 -52.57 22.75 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.796 0.838 . . . . 52.21 110.43 176.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -89.85 136.05 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-N 115.599 -0.728 . . . . 73.52 110.079 -174.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 45.8 p -78.93 173.4 12.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.49 0.716 . . . . 74.34 111.041 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 53.4 p -66.22 -47.78 72.73 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.317 0.647 . . . . 71.02 112.285 -173.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 89.8 m -63.95 -45.8 87.54 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 123.781 0.676 . . . . 63.54 111.324 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 51.3 mm -69.91 -44.25 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 110.212 -0.292 . . . . 74.31 110.212 -177.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.9 -40.26 94.84 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.995 0.518 . . . . 63.24 110.434 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.33 -50.23 74.79 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 123.899 0.749 . . . . 73.01 110.251 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -66.04 -42.65 89.27 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 124.36 1.037 . . . . 75.35 111.732 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.49 -38.96 81.58 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 122.791 0.436 . . . . 64.21 110.092 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 83.6 mt -71.02 -30.12 66.24 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.956 0.502 . . . . 74.25 111.207 173.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -71.46 -36.32 71.17 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.807 0.843 . . . . 64.04 109.747 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.88 -42.98 80.41 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 115.666 -0.697 . . . . 61.3 109.647 170.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.636 ' SG ' HD13 ' B' ' 100' ' ' ILE . 74.7 m -62.27 -31.21 71.76 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 122.308 0.243 . . . . 55.03 111.017 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 26.7 mtp180 -65.99 -48.88 69.74 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.763 0.825 . . . . 72.35 109.725 171.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -54.61 -46.8 73.91 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.629 1.172 . . . . 55.42 111.806 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -80.24 -15.48 56.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.734 0.814 . . . . 73.1 111.088 -176.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 t60 -79.7 -47.04 15.99 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.508 0.723 . . . . 71.33 110.213 177.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 16.1 mm100 -72.22 -30.29 64.77 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.218 -0.901 . . . . 64.22 110.042 -178.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -136.23 100.29 10.61 Favored Pre-proline 0 CA--C 1.535 0.399 0 C-N-CA 124.08 0.952 . . . . 55.43 108.556 175.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -48.91 -36.21 33.62 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 123.157 2.572 . . . . 74.22 112.222 169.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.75 -107.62 2.87 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.8 -1.32 . . . . 75.13 109.8 168.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.02 25.94 66.76 Favored Glycine 0 N--CA 1.478 1.48 0 CA-C-O 121.998 0.777 . . . . 73.23 113.667 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' SER . . . . . 0.466 ' HB3' ' HD3' ' B' ' 74' ' ' PRO . 64.4 m -135.38 164.03 28.69 Favored 'General case' 0 CA--C 1.587 2.379 0 N-CA-C 105.254 -2.128 . . . . 72.31 105.254 -177.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.751 ' HA2' ' HA ' ' B' ' 72' ' ' ASP . . . -163.8 98.26 0.15 Allowed Glycine 2 CA--C 1.622 6.757 0 N-CA-C 119.963 2.745 . . . . 53.01 119.963 -172.585 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.837 ' N ' ' H ' ' B' ' 73' ' ' ILE . 65.2 tp -104.79 -64.65 1.1 Allowed 'General case' 0 C--N 1.381 1.956 1 N-CA-C 99.983 -4.08 . . . . 62.44 99.983 156.749 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -96.41 -25.3 15.76 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 105.285 -2.117 . . . . 63.03 105.285 131.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ASP . . . . . 0.751 ' HA ' ' HA2' ' B' ' 69' ' ' GLY 0.383 0.2 OUTLIER -148.99 37.23 0.78 Allowed 'General case' 1 CA--C 1.713 7.232 0 N-CA-C 118.549 2.796 . . . . 55.12 118.549 175.849 . . . . . . . . 5 4 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.837 ' H ' ' N ' ' B' ' 70' ' ' LEU . 22.8 mt -73.46 122.75 88.39 Favored Pre-proline 2 N--CA 1.609 7.488 1 C-N-CA 131.833 4.053 . . . . 71.24 118.658 154.128 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' B' B ' 74' ' ' PRO . . . . . 0.466 ' HD3' ' HB3' ' B' ' 68' ' ' SER . 66.2 Cg_endo -94.26 153.89 2.08 Favored 'Trans proline' 0 CA--C 1.563 1.943 0 C-N-CA 123.414 2.743 . . . . 62.14 112.375 167.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.51 -23.36 57.68 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 121.887 1.725 . . . . 73.54 111.71 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -56.47 -53.69 54.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.696 1.598 . . . . 75.44 111.381 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -71.57 -22.38 61.75 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.17 -0.923 . . . . 74.21 112.29 -175.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -60.43 -41.01 93.12 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.554 0.342 . . . . 70.43 110.231 173.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.27 -37.25 80.51 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.772 -0.649 . . . . 62.11 110.924 174.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' PHE . . . . . 0.486 ' CZ ' HD21 ' B' ' 103' ' ' LEU . 61.1 t80 -60.1 -40.71 90.6 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.382 0.673 . . . . 74.03 110.666 175.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 72.5 m -73.7 -2.3 22.68 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.943 0.897 . . . . 75.43 112.655 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -76.93 82.78 3.47 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 121.875 0.845 . . . . 55.04 109.489 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.54 HG11 HD11 ' B' ' 91' ' ' LEU . 16.1 m -132.96 161.76 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.992 1.317 . . . . 71.03 109.439 -178.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -85.71 171.54 11.53 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.117 -1.068 . . . . 64.12 108.117 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' GLN . . . . . 0.417 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 22.8 tp60 -60.64 -49.96 87.44 Favored Pre-proline 0 CA--C 1.568 1.666 0 CA-C-O 118.362 -0.828 . . . . 64.4 112.604 -176.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 48.6 Cg_exo -59.15 -41.74 57.41 Favored 'Trans proline' 0 C--N 1.388 2.645 0 C-N-CA 121.934 1.756 . . . . 55.32 112.671 173.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 11.6 m -64.17 -30.39 71.45 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.969 0.908 . . . . 70.11 111.473 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.87 -45.59 85.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.096 0.958 . . . . 51.24 109.087 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.471 ' HE1' ' HE1' ' A' ' 89' ' ' PHE . 39.2 m-85 -68.9 -30.22 68.66 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.478 -0.783 . . . . 74.14 111.417 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.65 -35.43 74.4 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.917 0.487 . . . . 74.54 111.417 175.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.54 HD11 HG11 ' B' ' 83' ' ' VAL . 84.0 mt -67.64 -39.3 84.64 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.35 0.66 . . . . 63.53 110.535 175.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.421 HD12 ' HD1' ' B' ' 89' ' ' PHE . 59.3 mt -65.51 -42.79 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.565 0.746 . . . . 72.31 110.287 176.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 108' ' ' CYS . 95.3 mt -66.12 -43.21 87.79 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.151 0.981 . . . . 75.53 110.667 -178.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.62 -37.78 70.86 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.695 0.798 . . . . 73.33 111.318 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.522 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -72.1 -32.23 66.79 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.907 0.483 . . . . 74.14 111.518 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -75.88 -38.33 57.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.147 0.579 . . . . 64.34 109.925 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -65.71 -47.52 75.08 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.082 0.953 . . . . 75.13 111.111 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.407 HD22 HD11 ' B' ' 27' ' ' ILE . 99.2 mt -88.62 -7.99 55.43 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.922 0.889 . . . . 73.51 111.608 -177.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 36.8 t0 61.66 34.57 17.5 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.833 1.253 . . . . 74.24 111.055 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.636 HD13 ' SG ' ' B' ' 58' ' ' CYS . 37.1 mt -87.69 80.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.412 0 N-CA-C 108.06 -1.089 . . . . 64.15 108.06 174.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 101' ' ' LYS . . . . . 0.413 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 94.1 mttt -61.55 -37.15 38.25 Favored Pre-proline 0 CA--C 1.553 1.062 0 CA-C-N 114.129 -1.396 . . . . 70.53 113.414 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -46.71 -42.93 23.97 Favored 'Trans proline' 0 C--N 1.397 3.095 0 C-N-CA 121.948 1.766 . . . . 74.12 113.133 169.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.2 tm? -79.41 -43.87 22.53 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.672 0.389 . . . . 64.12 109.998 -179.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 104' ' ' LEU . 60.9 tp -55.19 -44.77 75.58 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.172 0.989 . . . . 73.13 111.19 -177.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -70.59 -42.93 70.38 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.024 0.828 . . . . 42.24 110.904 -175.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.74 -42.21 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 123.081 0.552 . . . . 74.51 110.595 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.8 m -71.55 -30.52 65.98 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.59 0.756 . . . . 75.14 110.981 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.6 m -70.25 -32.51 70.38 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.369 0.668 . . . . 65.3 110.506 173.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -72.47 -32.69 66.45 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.739 0.415 . . . . 54.44 110.336 173.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.1 m -60.75 -46.4 90.58 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.017 0.527 . . . . 75.35 110.797 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.27 -36.57 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 116.231 -0.44 . . . . 51.13 111.401 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' B' ' 116' ' ' ARG . . . -63.02 -43.53 98.46 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.444 0.698 . . . . 71.11 111.56 -177.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.14 -36.16 80.96 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.613 0.765 . . . . 75.24 111.687 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 58.8 mtm -77.52 -23.54 50.18 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.031 0.533 . . . . 74.12 111.935 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.6 pt -98.3 -1.05 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.805 0.442 . . . . 72.2 112.106 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 112' ' ' ALA . 65.8 mtp180 -64.63 94.77 0.13 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.652 0.381 . . . . 72.35 110.454 175.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.51 -0.768 . . . . 37.07 112.25 176.018 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 58.2 mt . . . . . 0 CA--C 1.547 0.831 0 N-CA-C 110.353 -0.24 . . . . 75.51 110.353 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.4 m -79.14 128.07 38.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 121.434 0.635 . . . . 54.01 109.295 169.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.553 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 90.1 mttt -86.66 106.13 17.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.087 -0.96 . . . . 73.01 109.284 -173.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -109.05 95.73 5.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.611 -0.514 . . . . 71.45 109.611 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG3' HG22 ' A' ' 13' ' ' VAL . 5.1 mp0 -70.88 138.17 49.96 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.385 -0.598 . . . . 73.14 109.385 174.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 p -82.15 -178.28 6.96 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.161 0.584 . . . . 70.32 110.697 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -63.68 -26.05 68.49 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.594 0.758 . . . . 52.13 111.05 170.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 32.5 t70 -89.82 12.66 16.55 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.352 1.061 . . . . 70.43 110.742 176.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 70.04 2.15 3.8 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.441 1.496 . . . . 74.51 113.735 170.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -72.9 122.31 21.43 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.706 0.402 . . . . 71.32 110.041 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG22 ' HG3' ' A' ' 7' ' ' GLU . 50.2 t -75.97 109.5 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 O-C-N 124.096 0.872 . . . . 72.24 109.541 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -103.32 91.55 4.12 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.73 0.812 . . . . 64.43 109.351 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.553 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 40.7 mt-10 -75.59 116.58 16.46 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.11 -0.95 . . . . 65.43 109.631 175.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.546 HD12 ' HB3' ' A' ' 55' ' ' LEU . 18.3 tt -136.39 153.76 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 108.743 -0.836 . . . . 75.42 108.743 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HB2' HG13 ' A' ' 20' ' ' ILE . 53.5 mt-10 -55.05 138.01 45.07 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.905 0.482 . . . . 70.33 111.023 -177.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -57.68 -39.76 77.87 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.97 0.908 . . . . 71.51 110.963 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.46 -28.0 69.37 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.081 0.952 . . . . 74.15 112.343 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.569 HG13 ' HB2' ' A' ' 17' ' ' GLU . 53.1 mt -76.47 -43.84 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 123.08 0.552 . . . . 52.44 110.131 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.68 -17.55 55.99 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.571 0.748 . . . . 64.2 112.785 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.8 m -71.06 -23.86 62.22 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.828 0.851 . . . . 75.23 112.498 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.7 mtm -68.72 -31.21 70.11 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.157 0.583 . . . . 64.45 110.66 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.0 t -74.41 114.49 12.86 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.062 -1.088 . . . . 62.22 108.062 169.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.44 -41.49 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.013 0.525 . . . . 44.43 110.538 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 m -63.61 -52.51 60.57 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.314 0.645 . . . . 72.52 111.846 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.475 HG13 HD22 ' A' ' 98' ' ' LEU . 75.3 mt -64.03 -42.28 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 122.602 0.361 . . . . 72.01 110.22 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 24.2 ttpp -55.76 -52.51 63.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.929 0.891 . . . . 63.55 110.924 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -60.06 -36.57 77.62 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.89 0.876 . . . . 75.34 111.288 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.0 mtt -63.0 -47.32 83.6 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.392 0.433 . . . . 72.31 110.499 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.4 mt -61.33 -33.86 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.74 0.816 . . . . 61.23 110.142 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 44.9 mt-10 -71.26 -45.04 64.09 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.333 0.653 . . . . 75.4 111.76 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.03 -42.34 80.75 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 122.782 0.433 . . . . 72.41 111.57 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -73.23 -29.88 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.888 0.875 . . . . 61.3 110.361 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.57 165.92 40.7 Favored Glycine 0 C--O 1.246 0.859 0 N-CA-C 110.503 -1.039 . . . . 51.24 110.503 -169.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.88 97.68 0.06 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.36 0.664 . . . . 72.53 109.915 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.0 m -127.89 136.44 51.39 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 124.014 0.926 . . . . 72.43 109.526 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -78.22 -4.73 49.21 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.672 0.389 . . . . 62.32 110.629 171.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.0 m -49.07 126.0 14.32 Favored Pre-proline 0 C--N 1.356 0.886 0 C-N-CA 124.955 1.302 . . . . 72.41 111.566 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 37.6 Cg_endo -63.11 129.28 25.23 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.691 2.26 . . . . 64.13 111.947 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.0 mm -105.56 102.75 39.66 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 109.204 -0.665 . . . . 75.33 109.204 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.85 146.43 47.85 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.355 2.037 . . . . 45.24 110.913 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.6 mt -118.37 92.95 44.42 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 107.93 -1.137 . . . . 74.02 107.93 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -81.45 63.28 8.56 Favored 'Trans proline' 0 C--N 1.382 2.315 0 C-N-CA 123.29 2.66 . . . . 65.3 112.567 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -160.61 -50.21 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.366 -0.834 . . . . 73.33 109.161 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.15 125.46 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.089 0 CA-C-N 115.473 -0.785 . . . . 62.04 110.41 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 p -79.3 174.84 11.16 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.907 0.883 . . . . 71.45 111.152 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.467 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 73.9 p -66.05 -47.25 74.97 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.466 0.543 . . . . 70.02 112.466 -172.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.8 p -60.74 -37.01 80.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.784 0.833 . . . . 45.35 111.512 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.643 HG23 HD23 ' A' ' 91' ' ' LEU . 43.9 mm -80.62 -46.74 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.755 -0.657 . . . . 61.25 110.147 -176.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.25 -28.72 69.92 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.723 0.809 . . . . 74.34 111.052 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -53.04 -54.07 40.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.45 1.1 . . . . 73.23 110.024 171.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -76.98 -32.79 57.49 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.372 -0.831 . . . . 52.31 111.939 -176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.475 HG11 HD12 ' A' ' 98' ' ' LEU . 51.4 t -60.44 -53.1 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 109.447 -0.575 . . . . 72.1 109.447 177.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.546 ' HB3' HD12 ' A' ' 16' ' ' ILE . 68.1 mt -74.57 -29.84 61.5 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.22 -0.9 . . . . 74.31 112.171 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.41 -34.06 65.29 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 118.214 0.461 . . . . 74.14 110.795 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -63.77 -42.0 97.86 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.506 -0.553 . . . . 44.44 109.506 170.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 91.3 m -66.56 -31.49 72.23 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 115.253 -0.885 . . . . 74.41 111.178 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 72.8 mtt180 -62.92 -50.52 70.52 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 109.355 -0.609 . . . . 75.11 109.355 171.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -57.92 -44.75 87.06 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.943 0.897 . . . . 73.3 111.314 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -67.5 -35.65 79.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.185 0.994 . . . . 75.23 111.026 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -82.58 -47.21 12.37 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.094 0.557 . . . . 73.23 111.804 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -77.69 -29.4 51.38 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.416 0.686 . . . . 72.13 111.198 -175.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 107.752 -1.203 . . . . 74.35 107.752 175.22 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 108.747 -0.834 . . . . 75.4 108.747 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.94 147.51 30.64 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.539 2.159 . . . . 70.15 111.28 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.58 -50.44 13.81 Favored 'Trans proline' 0 C--N 1.385 2.472 0 C-N-CA 123.562 2.842 . . . . 73.22 113.109 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -54.54 -54.1 45.7 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.493 0.496 . . . . 72.34 111.326 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.97 -31.89 73.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.953 0.901 . . . . 61.35 111.48 -170.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -75.59 -45.38 37.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.322 -0.399 . . . . 64.43 110.709 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.69 -23.27 66.1 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.463 0.705 . . . . 74.34 111.769 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -67.4 -42.5 83.2 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.328 1.051 . . . . 75.21 109.857 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 65.8 m -76.59 -15.04 59.94 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.772 -1.104 . . . . 75.2 111.981 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -76.25 79.88 3.03 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.371 -0.603 . . . . 73.32 109.371 175.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.1 m -132.02 160.07 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.817 1.247 . . . . 61.35 108.55 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.08 156.07 40.04 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.176 -0.675 . . . . 70.44 109.176 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -59.48 -46.85 98.83 Favored Pre-proline 0 CA--C 1.567 1.625 0 CA-C-O 118.341 -0.838 . . . . 74.43 113.036 -171.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.65 -47.41 27.38 Favored 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 121.996 1.797 . . . . 73.32 113.381 169.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.2 m -61.62 -30.78 70.92 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.932 0.893 . . . . 64.01 111.64 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 tt -70.13 -43.94 69.94 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.28 1.032 . . . . 65.55 108.935 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.497 ' HE2' ' HE2' ' B' ' 89' ' ' PHE . 19.2 m-85 -63.37 -33.16 74.93 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.789 -0.641 . . . . 63.0 111.174 176.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.47 -36.87 85.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.683 0.793 . . . . 72.21 111.856 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.643 HD23 HG23 ' A' ' 50' ' ' ILE . 95.0 mt -67.14 -36.1 81.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.031 0.532 . . . . 73.24 110.539 175.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.36 -43.75 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.3 0.64 . . . . 71.5 109.898 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' B' ' 112' ' ' ALA . 91.2 mt -60.27 -47.95 83.82 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.04 0.936 . . . . 62.32 111.131 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.95 -36.43 80.09 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.872 0.869 . . . . 34.4 111.876 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.35 -32.55 66.57 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.373 0.669 . . . . 74.01 111.559 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -78.73 -36.65 42.95 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.701 0.8 . . . . 71.24 110.261 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.92 -39.08 92.97 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.17 0.988 . . . . 75.21 110.827 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.475 HD12 HG11 ' A' ' 54' ' ' VAL . 76.8 mt -96.23 -8.16 33.68 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.297 0.639 . . . . 74.43 111.693 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t70 57.07 34.54 25.06 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.119 1.368 . . . . 74.3 111.527 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.0 mt -78.77 103.38 5.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.832 -1.173 . . . . 54.43 107.832 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -58.98 -49.62 92.36 Favored Pre-proline 0 CA--C 1.562 1.419 0 CA-C-O 117.906 -1.045 . . . . 73.21 112.723 -175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.91 -48.55 16.0 Favored 'Trans proline' 0 C--N 1.401 3.331 0 C-N-CA 121.836 1.69 . . . . 61.43 112.672 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.0 -47.08 84.64 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.838 0.455 . . . . 64.44 111.364 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.625 HD21 HD21 ' B' ' 104' ' ' LEU . 48.0 tp -63.18 -42.74 99.41 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.785 0.678 . . . . 62.35 110.511 -177.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.6 -48.76 65.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.798 -0.637 . . . . 53.52 110.535 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.21 -45.66 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.339 0.655 . . . . 73.34 111.185 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.7 m -67.79 -35.89 79.48 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 123.147 0.579 . . . . 75.11 111.425 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 75.1 m -72.69 -30.19 64.03 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.089 0.555 . . . . 50.25 110.961 175.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.8 -31.21 59.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.022 0.529 . . . . 62.41 110.584 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.9 m -57.81 -53.32 59.55 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.289 0.636 . . . . 75.32 110.643 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.9 m -65.01 -35.01 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 115.759 -0.655 . . . . 75.21 110.955 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.15 96.53 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.284 0.634 . . . . 71.44 111.539 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -70.29 -37.08 74.75 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.722 0.409 . . . . 75.13 110.866 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 71.0 mtm -70.17 -40.66 74.58 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 111.934 0.346 . . . . 73.41 111.934 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 30.7 pt -79.31 -27.09 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 122.549 0.34 . . . . 74.22 111.838 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -92.17 -18.38 23.58 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.179 0.591 . . . . 74.42 111.664 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 CA-C-O 119.109 -0.829 . . . . 72.22 111.306 -178.377 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.978 0.418 . . . . 63.44 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 mt -81.58 118.89 23.13 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.549 -0.75 . . . . 71.23 110.126 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 24.3 m -79.08 128.43 38.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 109.448 -0.575 . . . . 74.33 109.448 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.541 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 90.5 mttt -86.87 106.6 17.86 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.998 0.919 . . . . 71.12 109.095 -173.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.0 mt -109.52 95.38 5.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.953 0.501 . . . . 64.21 109.714 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.43 ' HG3' HG22 ' B' ' 13' ' ' VAL . 3.5 mp0 -70.67 138.58 50.79 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.311 -0.625 . . . . 75.43 109.311 174.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.6 p -82.3 -177.88 6.82 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.343 0.657 . . . . 74.3 110.424 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.6 m -63.99 -27.42 69.11 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.569 0.748 . . . . 54.11 110.443 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.46 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 34.3 t70 -88.97 15.08 9.12 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.137 0.975 . . . . 74.52 110.959 175.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 68.11 3.15 3.49 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.169 1.388 . . . . 74.53 113.802 169.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -74.2 122.95 23.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.069 0.547 . . . . 74.12 109.869 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.43 HG22 ' HG3' ' B' ' 7' ' ' GLU . 43.7 t -77.13 109.22 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 O-C-N 124.33 1.019 . . . . 65.23 109.646 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -102.86 91.06 3.99 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.58 0.752 . . . . 73.34 109.378 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.541 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 38.8 mt-10 -74.86 115.78 14.84 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.172 -0.922 . . . . 73.31 109.529 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' B' ' 55' ' ' LEU . 18.2 tt -135.65 153.29 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 123.658 0.783 . . . . 73.2 108.901 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.583 ' HB2' HG13 ' B' ' 20' ' ' ILE . 56.4 mt-10 -55.19 137.34 47.31 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.068 0.547 . . . . 74.42 110.992 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -57.77 -39.29 77.11 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.052 0.941 . . . . 51.33 110.951 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.28 -29.36 70.45 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.007 -0.997 . . . . 71.3 112.196 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.583 HG13 ' HB2' ' B' ' 17' ' ' GLU . 52.9 mt -75.3 -43.72 43.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 123.017 0.527 . . . . 75.34 110.172 175.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.83 -17.54 56.69 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.72 0.808 . . . . 51.52 112.696 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 66.1 m -71.14 -23.39 62.07 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.757 0.823 . . . . 73.21 112.465 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 53.7 mtm -69.15 -30.45 68.7 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 122.979 0.512 . . . . 71.34 110.732 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -75.2 114.38 13.64 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.086 -1.079 . . . . 70.23 108.086 169.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.97 -41.86 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 123.573 0.546 . . . . 73.44 110.477 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 54.9 m -63.18 -52.65 61.5 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.348 0.659 . . . . 70.35 112.037 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.485 HG13 HD22 ' B' ' 98' ' ' LEU . 75.5 mt -64.11 -42.17 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.648 0.379 . . . . 54.23 110.118 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' B' ' 32' ' ' GLU . 24.2 ttpp -55.83 -51.84 66.08 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.016 0.926 . . . . 73.04 110.738 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -60.53 -36.64 78.9 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.955 0.902 . . . . 71.22 111.291 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 66.9 mtt -63.36 -47.23 82.99 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.612 0.57 . . . . 70.13 110.372 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 79.7 mt -61.67 -33.84 59.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.651 0.781 . . . . 63.33 110.265 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 43.8 mt-10 -70.85 -45.87 63.72 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.197 0.599 . . . . 74.12 111.482 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.11 -44.54 84.04 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.98 0.512 . . . . 71.21 111.582 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -72.79 -28.7 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.99 0.916 . . . . 73.22 110.604 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.1 166.86 40.89 Favored Glycine 0 C--O 1.244 0.771 0 N-CA-C 110.742 -0.943 . . . . 73.03 110.742 -170.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.63 97.02 0.09 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.116 0.567 . . . . 74.12 109.563 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 36.4 m -127.28 137.73 52.91 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.101 -0.954 . . . . 52.44 109.221 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -80.38 -3.02 48.03 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.962 0.505 . . . . 75.12 110.296 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -50.27 126.16 20.81 Favored Pre-proline 0 C--N 1.358 0.949 0 C-N-CA 124.977 1.311 . . . . 52.01 111.609 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.461 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 37.0 Cg_endo -63.3 127.91 21.28 Favored 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.749 2.299 . . . . 43.32 112.44 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 42.3 mm -104.34 103.1 37.15 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 109.334 -0.617 . . . . 70.52 109.334 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -72.53 144.68 40.73 Favored 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.382 2.055 . . . . 64.14 111.148 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 86.4 mt -116.77 92.42 38.15 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 108.012 -1.107 . . . . 71.21 108.012 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.39 61.22 8.01 Favored 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 123.379 2.719 . . . . 72.34 112.737 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -158.85 -48.91 0.06 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.84 0.856 . . . . 72.54 109.035 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.29 125.98 44.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 CA-C-N 115.957 -0.565 . . . . 73.33 110.218 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.2 p -79.56 174.64 11.37 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.732 0.813 . . . . 63.02 111.282 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 63.8 p -65.74 -47.89 73.74 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.042 0.537 . . . . 64.53 112.42 -171.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 47.2 p -60.43 -36.79 79.03 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.839 0.856 . . . . 65.44 111.588 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.641 HG23 HD23 ' B' ' 91' ' ' LEU . 43.5 mm -80.68 -46.99 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 115.667 -0.697 . . . . 73.41 110.169 -177.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.5 tp -64.25 -28.67 69.89 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.847 0.859 . . . . 73.21 111.023 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -52.89 -54.13 39.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.382 1.073 . . . . 73.33 110.049 171.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -77.02 -32.53 57.16 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.359 -0.837 . . . . 64.12 111.958 -176.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.46 HG11 HD12 ' B' ' 98' ' ' LEU . 51.2 t -60.7 -53.17 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 109.418 -0.586 . . . . 44.44 109.418 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.543 ' HB3' HD12 ' B' ' 16' ' ' ILE . 68.8 mt -74.54 -29.52 61.41 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.265 -0.88 . . . . 73.14 111.977 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.81 -34.34 64.56 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 118.145 0.43 . . . . 55.24 110.852 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -63.34 -41.86 98.89 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.452 -0.573 . . . . 71.42 109.452 170.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 88.9 m -66.89 -31.22 71.66 Favored 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 115.271 -0.877 . . . . 72.41 111.243 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 74.8 mtt180 -63.05 -50.7 69.62 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.182 0.593 . . . . 73.34 109.484 171.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -58.11 -44.6 87.8 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.195 -0.911 . . . . 53.24 111.241 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -67.64 -36.11 80.15 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.356 1.062 . . . . 72.04 111.083 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -81.97 -47.31 12.84 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.025 -0.534 . . . . 61.05 111.557 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -77.56 -28.05 51.68 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.479 0.712 . . . . 74.55 111.276 -175.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 107.721 -1.215 . . . . 72.0 107.721 174.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 CA--C 1.546 0.826 0 N-CA-C 108.375 -0.972 . . . . 72.45 108.375 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.06 148.87 28.06 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.526 2.151 . . . . 61.15 111.511 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -54.57 -49.86 15.37 Favored 'Trans proline' 0 C--N 1.385 2.475 0 C-N-CA 123.28 2.653 . . . . 72.32 113.161 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -54.97 -55.24 32.99 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.717 0.636 . . . . 74.52 111.323 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.09 -32.17 72.69 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.122 0.889 . . . . 70.45 111.622 -170.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -75.63 -45.2 38.71 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.361 -0.381 . . . . 65.54 110.526 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.46 -23.11 66.22 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.412 0.685 . . . . 73.24 111.66 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -67.45 -42.99 82.19 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.308 1.043 . . . . 71.53 109.852 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 65.3 m -76.06 -14.63 60.2 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 114.739 -1.119 . . . . 32.1 111.829 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -76.38 78.9 3.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.203 0.601 . . . . 71.53 109.981 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 19.5 m -132.43 159.37 43.18 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 C-N-CA 124.594 1.158 . . . . 72.44 108.527 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.78 156.15 39.88 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.968 -0.752 . . . . 72.04 108.968 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -60.16 -47.24 97.28 Favored Pre-proline 0 CA--C 1.568 1.648 0 N-CA-C 113.337 0.866 . . . . 61.04 113.337 -171.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -53.95 -45.89 37.7 Favored 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 122.076 1.851 . . . . 73.04 112.925 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.6 m -62.1 -31.23 71.66 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.099 0.96 . . . . 51.52 111.476 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.28 -43.54 70.24 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.327 1.051 . . . . 75.33 108.963 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.497 ' HE2' ' HE2' ' A' ' 89' ' ' PHE . 18.4 m-85 -63.43 -33.76 76.27 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.925 -0.579 . . . . 64.01 110.982 175.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.82 -36.54 84.65 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.548 0.739 . . . . 74.41 111.517 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.641 HD23 HG23 ' B' ' 50' ' ' ILE . 94.7 mt -66.79 -36.56 82.68 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.194 0.597 . . . . 73.41 110.688 174.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.09 -43.8 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.241 0.617 . . . . 62.14 109.983 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.69 -47.33 86.73 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.014 0.926 . . . . 61.2 110.954 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.38 79.51 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.978 0.911 . . . . 73.23 111.814 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.59 -33.08 66.49 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.336 0.654 . . . . 61.25 111.574 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -78.2 -36.05 47.82 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.781 0.833 . . . . 61.44 110.397 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -65.16 -39.67 93.28 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.107 0.963 . . . . 72.23 110.72 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.485 HD22 HG13 ' B' ' 27' ' ' ILE . 76.1 mt -95.76 -7.75 36.32 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.162 0.585 . . . . 72.45 111.751 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 24.0 t70 56.68 34.92 25.37 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 125.042 1.337 . . . . 73.14 111.418 175.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.8 mt -79.47 103.26 6.22 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 107.778 -1.193 . . . . 71.22 107.778 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -59.26 -49.31 93.42 Favored Pre-proline 0 CA--C 1.559 1.322 0 CA-C-O 117.966 -1.016 . . . . 71.31 112.612 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.95 -48.54 15.99 Favored 'Trans proline' 0 C--N 1.401 3.31 0 C-N-CA 121.868 1.712 . . . . 73.12 112.66 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.25 -47.29 83.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.896 0.478 . . . . 75.11 111.277 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.625 HD21 HD21 ' A' ' 104' ' ' LEU . 47.0 tp -62.96 -42.27 99.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.759 -0.655 . . . . 71.41 110.57 -177.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.83 -49.24 63.32 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.801 -0.636 . . . . 63.24 110.555 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 56.4 t -59.05 -45.64 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.309 0.643 . . . . 61.01 111.191 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 30.3 m -67.72 -35.89 79.6 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.05 0.54 . . . . 61.44 111.444 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 73.1 m -72.48 -30.72 64.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.95 0.5 . . . . 73.32 110.821 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -75.58 -30.89 59.77 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.034 0.534 . . . . 74.23 110.604 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 94.1 m -57.6 -53.41 58.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.234 0.614 . . . . 32.33 110.497 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 16.5 m -65.21 -35.44 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 115.569 -0.741 . . . . 73.02 111.108 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . 0.404 ' HB2' HD11 ' A' ' 93' ' ' LEU . . . -62.43 -40.34 96.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.522 0.729 . . . . 63.33 111.557 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -69.78 -37.81 76.48 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.78 0.432 . . . . 72.23 110.884 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.78 -40.95 75.72 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.378 0.424 . . . . 42.01 111.697 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.2 pt -78.5 -29.31 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 C-N-CA 122.717 0.407 . . . . 74.32 112.092 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 . . . . . 0 N--CA 1.481 1.085 0 C-N-CA 123.359 0.663 . . . . 71.02 111.552 178.345 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 110.435 -0.209 . . . . 73.43 110.435 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m -81.25 126.12 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 109.615 -0.513 . . . . 73.22 109.615 171.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.59 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 92.6 mttt -86.49 100.92 12.71 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.915 0.886 . . . . 61.32 109.232 -176.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.8 mt -110.14 98.53 7.77 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.835 0.854 . . . . 73.35 109.655 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 42' ' ' PRO . 8.8 mp0 -75.5 150.6 38.15 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.011 0.434 . . . . 74.44 109.936 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.4 p -93.96 -178.69 4.73 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.315 -0.857 . . . . 65.24 110.682 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.6 t -63.5 -25.87 68.45 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.088 -0.96 . . . . 71.1 110.224 168.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.597 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 37.0 t70 -92.37 10.7 28.79 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.567 1.147 . . . . 70.34 110.74 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 74.03 -1.11 3.16 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 124.821 1.248 . . . . 53.4 113.048 166.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.506 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 92.5 mttt -70.44 123.98 23.08 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.871 -0.518 . . . . 73.14 110.681 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.9 t -75.14 107.2 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 124.396 1.078 . . . . 71.03 110.183 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -99.29 92.5 5.46 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.631 0.729 . . . . 75.12 110.026 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.59 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 32.9 mt-10 -82.61 94.5 7.54 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.572 -1.194 . . . . 71.32 109.349 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.617 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.9 tt -111.49 155.32 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.56 0.744 . . . . 74.32 109.544 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -56.83 129.14 40.09 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.739 0.816 . . . . 74.11 109.481 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.03 -38.01 78.27 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.941 0.896 . . . . 61.34 111.794 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.32 -32.92 68.94 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.968 0.907 . . . . 70.25 112.016 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.548 HD13 ' HA ' ' A' ' 59' ' ' ARG . 50.2 mt -80.72 -39.86 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.775 0.83 . . . . 64.12 110.296 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB1' HG21 ' A' ' 27' ' ' ILE . . . -65.61 -20.89 66.49 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.318 0.647 . . . . 63.42 111.837 176.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -69.71 -23.89 63.49 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.421 0.688 . . . . 74.01 112.221 174.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.6 mtm -69.32 -31.65 70.26 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.716 0.293 . . . . 71.51 110.462 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -66.97 112.62 4.43 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.262 -1.014 . . . . 65.44 108.262 164.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 63.2 t -60.82 -33.86 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 O-C-N 123.706 0.629 . . . . 55.52 110.631 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.0 m -67.48 -51.24 53.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.053 0.541 . . . . 72.14 111.599 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.44 HG21 ' HB1' ' A' ' 21' ' ' ALA . 74.8 mt -65.5 -43.19 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 122.846 0.458 . . . . 71.24 109.997 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -57.66 -50.79 72.02 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.919 0.887 . . . . 61.22 110.749 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.26 -28.92 70.36 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.602 0.761 . . . . 73.21 111.594 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.1 mtt -68.49 -45.34 72.61 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.391 0.276 . . . . 63.01 110.666 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.0 -35.64 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 122.985 0.514 . . . . 62.31 110.237 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -77.35 -45.23 26.77 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 122.997 0.519 . . . . 71.52 112.212 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.02 -46.43 18.18 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.368 0.667 . . . . 71.32 111.875 -171.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -74.52 -34.96 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 121.472 0.653 . . . . 74.32 109.496 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.98 178.84 21.49 Favored Glycine 0 C--O 1.246 0.883 0 CA-C-N 115.113 -0.949 . . . . 45.24 111.44 -177.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.81 89.71 0.16 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.275 0.63 . . . . 75.11 109.824 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 m -94.08 115.0 27.26 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.209 -0.905 . . . . 62.25 109.474 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.38 -19.77 57.82 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.402 0.681 . . . . 64.44 110.623 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 m -65.25 144.02 98.92 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.54 0.736 . . . . 44.22 110.455 173.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.406 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 82.1 Cg_endo -73.94 149.48 42.12 Favored 'Trans proline' 0 C--N 1.372 1.778 0 C-N-CA 122.579 2.186 . . . . 63.32 111.521 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.29 102.66 34.33 Favored Pre-proline 0 CA--C 1.553 1.068 0 N-CA-C 109.192 -0.67 . . . . 74.34 109.192 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 95.5 Cg_endo -84.66 111.17 1.46 Allowed 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.506 2.137 . . . . 54.13 112.371 174.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -87.08 101.79 2.53 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 123.819 0.848 . . . . 71.44 108.919 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -84.37 11.86 3.22 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 123.031 2.487 . . . . 64.54 113.352 -174.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -99.57 -57.44 2.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.647 0.779 . . . . 71.31 110.825 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.9 131.0 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 122.892 0.477 . . . . 63.13 110.641 -175.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.9 p -72.1 167.88 19.32 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.917 0.887 . . . . 63.32 111.819 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.597 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 72.3 p -68.5 -47.53 66.75 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.125 0.57 . . . . 74.3 112.355 -173.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.4 p -56.37 -47.28 79.2 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.249 0.968 . . . . 74.44 111.008 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.502 HG23 HD23 ' A' ' 91' ' ' LEU . 47.1 mm -75.49 -43.47 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.073 -0.967 . . . . 71.11 110.766 -174.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.4 tp -62.1 -41.19 97.96 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.493 0.496 . . . . 71.4 110.788 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.58 -47.14 86.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.455 0.702 . . . . 70.34 110.455 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.495 ' HE2' HG11 ' A' ' 83' ' ' VAL . 29.7 mtpp -60.56 -51.64 68.56 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 114.67 -1.15 . . . . 72.05 111.198 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.2 t -66.32 -35.62 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 123.165 0.586 . . . . 75.35 111.208 -174.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.617 ' HB3' HD12 ' A' ' 16' ' ' ILE . 53.2 mt -70.5 -40.04 73.77 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.102 0.561 . . . . 74.12 111.167 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -73.34 -32.34 64.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.742 0.417 . . . . 74.53 110.278 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -60.92 -51.57 68.71 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.178 -0.675 . . . . 72.11 109.178 171.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.64 ' SG ' HD13 ' A' ' 100' ' ' ILE . 94.4 m -59.22 -31.57 69.17 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 114.877 -1.056 . . . . 43.15 111.032 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.548 ' HA ' HD13 ' A' ' 20' ' ' ILE . 14.2 ttp180 -61.51 -48.52 80.68 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 122.428 0.291 . . . . 72.41 110.638 174.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -63.02 -40.35 97.48 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.76 0.424 . . . . 51.23 111.091 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -70.57 -24.8 62.84 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.832 0.853 . . . . 64.32 111.485 -178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -80.57 -38.53 29.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.907 0.483 . . . . 73.25 110.033 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 13.0 mm100 -71.17 -30.34 66.32 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.773 0.671 . . . . 60.31 110.878 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 108.231 -1.026 . . . . 73.41 108.231 174.629 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 CA--C 1.561 1.404 0 N-CA-C 110.11 -0.33 . . . . 73.02 110.11 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.89 146.24 87.38 Favored 'Trans proline' 0 C--N 1.373 1.867 0 C-N-CA 122.786 2.324 . . . . 71.45 112.246 -173.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -46.05 -37.5 17.72 Favored 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 124.198 3.265 . . . . 71.15 114.834 -176.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -57.79 -56.46 21.71 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.565 0.541 . . . . 74.02 110.574 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.11 -27.01 62.35 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.472 1.109 . . . . 73.34 110.536 -171.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -68.61 -51.38 43.02 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.187 -0.915 . . . . 72.02 109.988 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -76.25 -22.91 54.59 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.448 0.699 . . . . 70.34 111.678 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.443 ' HE2' HD21 ' A' ' 103' ' ' LEU . 57.5 t80 -60.53 -48.53 81.38 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.877 0.871 . . . . 71.53 110.564 175.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 83.6 m -75.44 -11.12 59.97 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.851 -1.068 . . . . 63.2 111.657 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -77.75 83.24 4.11 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 109.212 -0.662 . . . . 73.42 109.212 172.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.495 HG11 ' HE2' ' A' ' 53' ' ' LYS . 17.2 m -131.74 173.56 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.446 1.098 . . . . 72.21 109.096 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.23 159.95 19.62 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.31 0.644 . . . . 72.24 109.678 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 59.7 tp60 -60.27 -49.9 88.44 Favored Pre-proline 0 CA--C 1.567 1.618 0 CA-C-O 118.444 -0.788 . . . . 75.4 112.616 -172.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 46.8 Cg_exo -60.65 -33.66 93.11 Favored 'Trans proline' 0 C--N 1.386 2.543 0 C-N-CA 121.837 1.691 . . . . 53.52 113.134 171.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 m -67.92 -30.34 69.64 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.789 0.835 . . . . 65.51 111.427 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 85' ' ' GLN . 65.1 mt -57.89 -47.43 82.79 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.642 0.777 . . . . 41.13 110.38 170.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -67.9 -30.16 69.44 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.298 -0.865 . . . . 74.44 111.237 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.432 ' HB3' HG13 ' A' ' 50' ' ' ILE . 23.2 mm-40 -64.05 -40.74 96.96 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.123 0.569 . . . . 73.42 111.172 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.502 HD23 HG23 ' A' ' 50' ' ' ILE . 95.4 mt -66.05 -35.85 81.65 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.292 0.637 . . . . 75.53 110.488 176.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.97 -40.93 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.827 0.851 . . . . 74.2 110.384 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.0 mt -64.43 -45.66 86.55 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.64 0.776 . . . . 73.25 110.608 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.42 77.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.787 0.835 . . . . 62.25 111.764 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.519 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -70.01 -37.64 75.72 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.202 0.601 . . . . 73.22 111.496 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.44 -35.54 68.32 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.395 0.678 . . . . 72.43 110.189 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -70.25 -39.7 74.86 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.975 0.91 . . . . 61.52 111.57 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.8 mt -99.0 -2.44 37.31 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.428 0.691 . . . . 65.45 111.636 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.404 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 23.3 t0 54.81 40.49 31.98 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.414 1.486 . . . . 73.32 111.758 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.64 HD13 ' SG ' ' A' ' 58' ' ' CYS . 38.1 mt -86.86 86.46 2.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 108.152 -1.055 . . . . 61.1 108.152 173.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -60.59 -38.82 60.99 Favored Pre-proline 0 CA--C 1.559 1.296 0 CA-C-N 114.645 -1.161 . . . . 74.44 112.324 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -47.49 -56.12 3.35 Favored 'Trans proline' 0 C--N 1.4 3.283 0 C-N-CA 122.55 2.166 . . . . 72.13 114.165 170.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.5 tm? -67.94 -41.55 82.37 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.513 0.508 . . . . 64.51 109.871 -176.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.436 ' HB2' ' HB1' ' A' ' 95' ' ' ALA . 44.9 tp -58.98 -44.43 91.58 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.078 0.862 . . . . 70.22 110.723 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.83 -43.57 75.26 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.724 0.809 . . . . 74.1 110.973 -175.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.99 -36.33 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 123.102 0.561 . . . . 52.13 111.283 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.2 m -70.13 -37.86 75.39 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 109.97 -0.382 . . . . 61.25 109.97 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.0 m -68.72 -30.13 68.71 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.437 0.695 . . . . 75.02 110.816 175.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.11 -48.31 62.87 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.484 -0.562 . . . . 74.24 109.484 174.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.7 m -58.33 -51.81 68.24 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.634 0.774 . . . . 73.32 111.574 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.5 m -64.64 -33.79 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 123.448 0.468 . . . . 74.22 110.835 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.73 -39.04 84.3 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.553 0.533 . . . . 75.25 110.659 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -70.05 -26.21 63.91 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.963 0.505 . . . . 74.03 111.533 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.424 ' HE2' ' HB2' ' A' ' 114' ' ' MET . 42.0 mtm -74.61 -49.33 22.02 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 110.025 -0.361 . . . . 73.41 110.025 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' B' ' 86' ' ' PRO . 16.6 pt -78.0 -30.44 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.174 0.59 . . . . 63.44 111.909 -174.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -88.89 -14.11 37.56 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.507 0.723 . . . . 73.34 110.721 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.278 0 CA-C-O 119.244 -0.754 . . . . 72.4 113.182 179.418 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.714 0.292 . . . . 74.13 111.011 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 82.3 mt -94.81 124.28 38.76 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.949 0.9 . . . . 75.3 110.474 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m -79.65 125.71 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 109.653 -0.499 . . . . 64.21 109.653 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.578 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 92.4 mttt -86.23 101.0 12.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.86 0.864 . . . . 70.42 109.111 -176.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.3 mt -110.11 98.53 7.78 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.738 0.815 . . . . 73.32 109.485 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 42' ' ' PRO . 7.9 mp0 -75.5 149.72 38.36 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.0 0.429 . . . . 75.03 109.969 179.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.1 p -92.8 -179.0 5.01 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.43 -0.804 . . . . 74.55 110.746 175.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -61.65 -28.36 69.33 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.09 -0.959 . . . . 73.03 110.115 168.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.597 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 35.5 t70 -91.33 10.28 28.06 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.462 1.105 . . . . 75.53 110.733 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 75.42 -1.26 3.07 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.896 1.278 . . . . 65.32 113.105 166.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.51 ' HD2' ' HB2' ' B' ' 48' ' ' SER . 93.4 mttt -70.5 124.22 23.68 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.852 -0.53 . . . . 73.22 110.575 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.04 109.33 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 124.059 0.944 . . . . 63.44 109.945 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -100.71 92.29 5.02 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.733 0.778 . . . . 64.1 110.009 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.578 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.9 mt-10 -82.53 93.32 7.26 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.43 -1.259 . . . . 74.53 109.602 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.612 HD12 ' HB3' ' B' ' 55' ' ' LEU . 12.4 tt -110.97 155.68 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.631 0.772 . . . . 64.13 109.442 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -57.44 129.03 40.0 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 123.722 0.809 . . . . 73.51 109.333 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.7 -37.76 76.81 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 124.257 0.973 . . . . 73.51 111.865 -174.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.75 -32.14 68.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.261 1.024 . . . . 74.22 112.074 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' B' ' 59' ' ' ARG . 50.0 mt -81.11 -39.73 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.858 0.863 . . . . 71.45 110.3 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.439 ' HB1' HG21 ' B' ' 27' ' ' ILE . . . -65.75 -21.07 66.49 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.722 -0.672 . . . . 75.05 111.909 176.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 73.3 m -69.74 -24.53 63.56 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.493 0.717 . . . . 64.33 111.931 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 15.1 mtm -68.46 -32.0 71.7 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 122.505 0.322 . . . . 63.04 110.523 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 69.7 m -67.15 112.23 4.34 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.111 -1.07 . . . . 65.43 108.111 165.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 67.6 t -60.49 -33.66 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 123.788 0.68 . . . . 64.44 110.53 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 94.3 m -67.75 -51.53 48.0 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.031 0.532 . . . . 74.42 111.685 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.439 HG21 ' HB1' ' B' ' 21' ' ' ALA . 75.2 mt -65.18 -42.73 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.918 0.487 . . . . 72.34 110.118 -178.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -58.08 -50.5 73.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.944 0.898 . . . . 73.14 110.713 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.75 -28.48 69.91 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.642 0.777 . . . . 74.22 111.651 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.1 mtt -68.84 -45.75 70.32 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.489 0.316 . . . . 72.1 110.641 174.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.32 -35.8 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 122.933 0.493 . . . . 73.15 110.442 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -77.1 -46.42 23.64 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.271 0.628 . . . . 73.34 111.944 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -78.31 -46.27 20.55 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.09 0.556 . . . . 71.11 111.729 -170.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -74.53 -34.71 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.334 0.654 . . . . 64.42 109.713 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.9 177.79 21.06 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-N 115.38 -0.827 . . . . 43.5 111.071 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -67.12 89.83 0.19 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.405 0.682 . . . . 74.01 109.499 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 27.1 m -93.66 114.17 26.43 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.214 -0.903 . . . . 43.14 109.648 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -76.55 -18.58 58.61 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.35 0.66 . . . . 72.23 110.609 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.5 m -66.89 144.36 98.5 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 123.634 0.774 . . . . 72.31 109.972 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.404 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 86.1 Cg_endo -74.18 149.96 41.69 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.626 2.218 . . . . 70.34 111.644 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -104.55 102.74 35.88 Favored Pre-proline 0 CA--C 1.553 1.073 0 N-CA-C 109.132 -0.692 . . . . 45.3 109.132 -175.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' B' ' 7' ' ' GLU . 94.0 Cg_endo -85.1 109.07 1.19 Allowed 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.478 2.119 . . . . 73.44 112.565 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -84.89 102.53 2.36 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 123.615 0.766 . . . . 73.03 109.026 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -84.9 11.52 3.35 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.93 2.42 . . . . 62.33 113.471 -174.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -98.72 -60.22 1.58 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.674 0.79 . . . . 73.51 110.675 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.27 131.04 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 122.821 0.448 . . . . 62.23 110.781 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 38.4 p -72.66 168.21 19.17 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.0 0.92 . . . . 72.22 111.858 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.597 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.7 p -69.46 -47.28 64.45 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.399 0.518 . . . . 73.31 112.399 -172.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 55.5 p -56.98 -46.54 82.15 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.097 0.873 . . . . 74.01 110.704 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.507 HG23 HD23 ' B' ' 91' ' ' LEU . 46.2 mm -75.62 -43.85 40.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.101 -0.954 . . . . 75.34 110.754 -174.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 38.5 tp -62.02 -41.33 97.98 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.548 0.53 . . . . 45.23 110.704 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.57 -46.84 88.17 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.591 0.756 . . . . 73.23 110.349 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.469 ' HE2' HG11 ' B' ' 83' ' ' VAL . 29.1 mtpp -60.86 -51.34 69.7 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.645 -1.161 . . . . 72.24 111.335 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.0 t -66.59 -35.52 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.19 0.596 . . . . 71.3 111.098 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.612 ' HB3' HD12 ' B' ' 16' ' ' ILE . 55.1 mt -70.21 -40.14 74.73 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.01 0.524 . . . . 74.44 111.393 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.75 -31.38 63.31 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.897 0.479 . . . . 71.33 110.486 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -61.48 -52.11 65.89 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.136 -0.69 . . . . 60.43 109.136 170.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.653 ' SG ' HD13 ' B' ' 100' ' ' ILE . 89.5 m -58.74 -31.54 68.4 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 114.865 -1.061 . . . . 52.33 111.109 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.556 ' HA ' HD13 ' B' ' 20' ' ' ILE . 14.2 ttp180 -61.65 -48.48 80.65 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.444 0.298 . . . . 74.4 110.807 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -63.1 -40.3 97.24 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.678 0.391 . . . . 44.01 111.014 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -71.06 -24.97 62.44 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.816 0.846 . . . . 51.5 111.389 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -79.83 -39.12 31.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.74 0.416 . . . . 73.41 109.903 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 13.5 mm100 -70.38 -32.97 70.87 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.01 0.819 . . . . 65.14 110.519 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 108.307 -0.998 . . . . 61.1 108.307 174.771 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 CA--C 1.558 1.25 0 N-CA-C 110.231 -0.285 . . . . 60.32 110.231 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -58.24 146.05 90.54 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.717 2.278 . . . . 72.32 112.381 -173.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -47.37 -35.5 21.22 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 124.178 3.252 . . . . 63.01 114.661 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -58.59 -57.03 14.75 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.408 0.442 . . . . 74.13 110.508 174.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.97 -26.45 62.26 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.651 1.18 . . . . 72.34 110.506 -171.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -69.1 -52.05 32.36 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.186 -0.916 . . . . 62.24 109.723 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -75.21 -23.25 57.59 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.303 0.641 . . . . 74.43 111.618 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.45 ' HE2' HD21 ' B' ' 103' ' ' LEU . 58.4 t80 -60.27 -48.33 82.18 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.903 0.881 . . . . 74.21 110.698 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 86.3 m -75.82 -11.4 59.97 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.851 -1.068 . . . . 61.42 111.799 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -78.02 83.5 4.32 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 108.895 -0.78 . . . . 73.05 108.895 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.469 HG11 ' HE2' ' B' ' 53' ' ' LYS . 17.0 m -131.51 174.81 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.446 1.098 . . . . 72.54 109.138 176.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.3 159.29 24.21 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.349 0.66 . . . . 62.25 109.592 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.444 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 60.9 tp60 -60.0 -49.41 91.29 Favored Pre-proline 0 CA--C 1.566 1.58 0 CA-C-O 118.558 -0.734 . . . . 72.01 112.626 -172.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.46 ' HA ' HD12 ' A' ' 115' ' ' ILE . 51.8 Cg_exo -60.3 -33.7 94.29 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 121.936 1.758 . . . . 73.12 113.698 171.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.4 m -68.07 -30.37 69.56 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.733 0.813 . . . . 74.32 111.427 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.42 HD13 HG12 ' B' ' 111' ' ' VAL . 67.3 mt -58.03 -47.61 82.56 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.526 0.73 . . . . 75.12 110.262 171.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -67.27 -29.89 69.62 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.178 -0.919 . . . . 71.43 111.544 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.442 ' HB3' HG13 ' B' ' 50' ' ' ILE . 16.3 mm-40 -63.84 -41.25 97.86 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.042 0.537 . . . . 73.1 111.209 174.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.507 HD23 HG23 ' B' ' 50' ' ' ILE . 95.0 mt -66.02 -35.78 81.49 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.832 -0.622 . . . . 64.4 110.216 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 81.2 mt -67.07 -40.97 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 123.723 0.809 . . . . 63.01 110.524 175.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.31 -46.19 84.65 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.612 0.765 . . . . 63.25 110.673 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.04 -35.42 78.24 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.71 0.804 . . . . 73.44 111.728 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.506 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -70.16 -37.32 75.17 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.231 0.613 . . . . 62.41 111.601 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.73 -35.95 67.65 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.496 0.719 . . . . 61.53 110.163 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -70.0 -39.83 75.65 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.021 0.928 . . . . 73.21 111.548 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 94.0 mt -98.87 -2.92 36.53 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.398 0.679 . . . . 74.23 111.523 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 22.8 t0 55.07 40.89 32.07 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.457 1.503 . . . . 75.53 111.742 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.653 HD13 ' SG ' ' B' ' 58' ' ' CYS . 37.5 mt -87.06 86.79 2.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.104 -1.073 . . . . 73.22 108.104 173.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -60.5 -38.77 60.93 Favored Pre-proline 0 CA--C 1.56 1.345 0 CA-C-N 114.581 -1.19 . . . . 33.43 112.447 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -47.34 -56.38 3.11 Favored 'Trans proline' 0 C--N 1.401 3.332 0 C-N-CA 122.655 2.236 . . . . 61.31 114.152 170.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.5 tm? -67.93 -41.58 82.34 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.036 -0.529 . . . . 73.22 109.781 -176.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.437 ' HB2' ' HB1' ' B' ' 95' ' ' ALA . 45.2 tp -58.89 -44.21 91.11 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.086 0.866 . . . . 73.12 110.744 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -69.16 -43.84 73.48 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.747 0.819 . . . . 70.2 110.808 -175.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.73 -36.01 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.053 0.541 . . . . 75.32 111.429 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.5 m -70.52 -37.83 74.17 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.67 0.388 . . . . 64.1 109.999 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.57 -30.16 68.87 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.436 0.694 . . . . 64.43 110.853 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.56 -47.92 62.04 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.603 -0.517 . . . . 74.14 109.603 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . 0.405 ' O ' ' HG3' ' B' ' 114' ' ' MET . 89.9 m -58.36 -51.56 69.29 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.838 0.711 . . . . 34.23 111.728 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.42 HG12 HD13 ' B' ' 88' ' ' LEU . 35.1 m -64.77 -33.5 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 123.514 0.509 . . . . 74.13 110.942 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.33 86.57 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 123.646 0.591 . . . . 74.43 110.609 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -69.28 -25.7 64.38 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.266 0.626 . . . . 71.04 111.855 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . 0.421 ' HE2' ' HB2' ' B' ' 114' ' ' MET . 41.3 mtm -75.26 -48.77 21.73 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.53 0.332 . . . . 60.25 110.302 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 19.0 pt -77.87 -31.83 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 116.013 -0.54 . . . . 71.12 111.729 -174.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 . . . . . 0 N--CA 1.48 1.034 0 C-N-CA 123.41 0.684 . . . . 73.54 110.941 177.421 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 109.025 -0.732 . . . . 73.24 109.025 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 m -107.99 138.11 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.951 0.901 . . . . 64.52 108.947 172.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.583 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 58.4 mttp -93.84 118.48 31.5 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.998 0.919 . . . . 72.24 110.101 -175.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -118.11 103.42 9.86 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.542 -0.91 . . . . 72.54 108.542 174.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' A' ' 13' ' ' VAL . 3.1 mp0 -70.74 143.65 51.2 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.08 -0.711 . . . . 74.23 109.08 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.7 p -88.77 174.05 8.21 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.159 -0.682 . . . . 62.24 109.159 171.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -62.22 -23.36 66.6 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.431 0.693 . . . . 74.33 110.33 170.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 23.0 t70 -86.61 6.47 30.77 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 125.081 1.352 . . . . 74.05 111.35 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 73.03 5.74 5.21 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.102 1.361 . . . . 74.3 113.668 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -84.25 123.82 30.54 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.52 0.328 . . . . 64.22 110.163 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.563 HG22 ' HG3' ' A' ' 7' ' ' GLU . 59.4 t -81.7 116.84 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.321 1.048 . . . . 44.31 109.627 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -106.01 101.49 10.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.551 0.741 . . . . 75.51 110.167 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.583 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 35.8 mt-10 -90.13 93.89 9.56 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.146 -0.933 . . . . 73.02 109.39 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.669 HD12 ' HB3' ' A' ' 55' ' ' LEU . 8.4 tt -99.22 156.97 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.652 0.781 . . . . 74.12 109.044 177.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.92 132.56 54.34 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.477 0.711 . . . . 74.41 109.63 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -61.11 -32.61 72.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.506 1.122 . . . . 72.41 111.983 -172.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.07 -34.58 77.96 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.131 0.572 . . . . 74.4 111.641 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 59' ' ' ARG . 33.6 mt -81.08 -29.93 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.444 0.698 . . . . 71.32 110.322 -177.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -20.71 65.65 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.464 0.706 . . . . 63.04 111.877 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.9 m -69.15 -23.34 63.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.793 0.837 . . . . 54.44 112.172 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.661 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 84.0 mtp -66.13 -33.85 76.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.187 0.595 . . . . 55.02 111.142 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.57 ' HA ' HG12 ' A' ' 100' ' ' ILE . 35.6 t -73.87 111.6 9.18 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.638 -1.245 . . . . 61.35 107.638 168.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.91 -43.64 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 123.727 0.642 . . . . 74.41 110.768 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.3 m -61.63 -52.08 65.85 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.278 0.631 . . . . 42.04 112.1 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.15 -45.1 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.877 0.471 . . . . 75.31 110.101 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -56.22 -53.31 58.66 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.163 0.985 . . . . 72.44 110.806 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.05 -38.62 83.35 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.949 0.78 . . . . 71.13 111.245 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.7 mtm -68.58 -39.61 80.9 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.509 0.505 . . . . 73.55 111.31 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.83 -41.74 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.632 -0.507 . . . . 71.2 109.632 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -72.07 -32.22 66.85 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.935 0.894 . . . . 70.42 111.656 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.94 -37.28 78.79 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.236 1.014 . . . . 73.13 110.32 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -80.36 -28.17 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 CA-C-N 115.24 -0.891 . . . . 41.33 109.964 174.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 -63.09 0.37 Allowed Glycine 0 C--N 1.343 0.935 0 N-CA-C 109.822 -1.311 . . . . 71.23 109.822 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -163.79 99.08 0.88 Allowed 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 107.543 -1.28 . . . . 74.23 107.543 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.1 t -79.64 103.67 9.71 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 122.77 0.428 . . . . 32.44 110.098 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -74.17 -27.77 60.98 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.593 0.757 . . . . 73.31 109.383 169.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.0 m -71.1 149.19 94.55 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-N 114.551 -1.204 . . . . 75.25 110.546 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 74.1 Cg_endo -70.76 144.81 49.68 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.657 2.238 . . . . 75.13 112.391 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.22 102.12 45.04 Favored Pre-proline 0 CA--C 1.55 0.971 0 N-CA-C 108.375 -0.972 . . . . 63.0 108.375 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.98 120.05 6.76 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.818 2.345 . . . . 74.3 111.161 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.493 HD13 HD21 ' A' ' 98' ' ' LEU . 67.5 mt -99.55 93.36 2.27 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 124.825 1.25 . . . . 63.41 109.141 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -83.83 -1.09 9.91 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.945 2.43 . . . . 64.2 114.373 -170.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -89.23 -40.11 13.07 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.016 0.436 . . . . 75.52 110.373 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG11 HD13 ' A' ' 51' ' ' LEU . 12.1 p -90.79 136.42 24.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 122.959 0.504 . . . . 62.32 110.269 -174.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.9 p -81.54 166.26 20.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.631 0.772 . . . . 61.32 110.218 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.541 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 63.7 p -66.83 -44.13 81.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.088 0.555 . . . . 74.31 112.133 -171.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.6 m -57.38 -40.9 79.16 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 124.243 0.964 . . . . 53.35 110.958 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.612 HG23 HD23 ' A' ' 91' ' ' LEU . 49.6 mm -78.22 -44.12 27.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.262 -0.881 . . . . 53.4 110.778 -176.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.429 HD13 HG11 ' A' ' 46' ' ' VAL . 29.0 tp -64.14 -37.03 85.97 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.977 -0.379 . . . . 65.4 109.977 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.32 -54.88 41.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.509 1.123 . . . . 65.31 111.325 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.81 -31.23 51.6 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.881 -1.054 . . . . 74.33 111.72 -170.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.12 -44.75 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.553 0.741 . . . . 72.04 110.082 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.669 ' HB3' HD12 ' A' ' 16' ' ' ILE . 66.2 mt -65.31 -36.39 83.9 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 123.515 0.51 . . . . 72.41 110.901 177.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -75.37 -32.15 60.73 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.158 0.583 . . . . 73.41 111.585 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -64.37 -48.23 76.27 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.037 -0.727 . . . . 65.35 109.037 173.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 80.9 m -60.51 -33.88 73.29 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 115.127 -0.942 . . . . 61.33 110.569 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.512 ' HA ' HD13 ' A' ' 20' ' ' ILE . 40.1 ttm105 -58.44 -52.44 65.62 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 123.191 0.596 . . . . 74.34 110.586 175.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -61.23 -41.55 97.07 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.695 0.622 . . . . 61.32 111.359 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -73.11 -22.87 60.47 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.23 0.612 . . . . 74.22 110.627 -176.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.661 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 39.9 t60 -76.9 -45.4 28.17 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.793 0.837 . . . . 73.11 110.084 176.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -69.4 -37.0 77.3 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.175 0.99 . . . . 75.23 110.501 -178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 123.83 0.852 . . . . 75.31 109.011 179.16 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.3 mm . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 109.614 -0.513 . . . . 74.15 109.614 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.44 153.52 35.17 Favored 'Trans proline' 0 C--N 1.381 2.275 0 C-N-CA 123.008 2.472 . . . . 61.21 111.319 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -59.73 -61.21 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.287 0 C-N-CA 122.851 2.367 . . . . 64.35 113.082 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -60.43 -42.17 95.52 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.383 0.673 . . . . 74.33 111.144 -177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -28.7 67.54 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.69 0.796 . . . . 54.44 111.296 -173.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HG2' ' HE3' ' A' ' 82' ' ' LYS . 67.9 ttt180 -70.85 -45.19 64.92 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.988 0.515 . . . . 73.33 109.614 173.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -69.42 -23.52 63.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 115.56 -0.746 . . . . 74.21 111.308 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.1 -41.12 95.25 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.231 1.012 . . . . 72.13 110.25 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.2 m -70.21 -24.36 63.09 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.486 -0.779 . . . . 74.45 110.978 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.403 ' HE3' ' HG2' ' A' ' 78' ' ' ARG . 90.8 mttt -76.77 86.16 3.38 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 123.151 0.58 . . . . 72.01 109.712 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.1 m -132.49 162.95 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.883 0.873 . . . . 72.43 110.381 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -69.25 161.04 30.07 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.965 0.906 . . . . 64.3 109.069 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -57.91 -48.48 97.05 Favored Pre-proline 0 CA--C 1.572 1.798 0 CA-C-O 118.299 -0.857 . . . . 72.13 112.799 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.99 -40.0 22.23 Favored 'Trans proline' 0 C--N 1.397 3.123 0 C-N-CA 121.67 1.58 . . . . 72.41 111.917 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.4 m -63.21 -29.85 71.11 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.682 1.193 . . . . 63.23 111.513 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.49 -45.06 76.97 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.058 0.943 . . . . 72.34 109.471 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.471 ' HD2' HD13 ' B' ' 115' ' ' ILE . 22.1 m-85 -70.98 -30.07 66.23 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.559 -0.746 . . . . 72.53 110.94 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.542 ' HB3' HG13 ' A' ' 50' ' ' ILE . 21.0 mm-40 -60.62 -38.84 86.08 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.442 0.697 . . . . 74.44 110.871 171.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.612 HD23 HG23 ' A' ' 50' ' ' ILE . 82.7 mt -64.62 -38.43 90.99 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.273 0.629 . . . . 65.12 110.995 175.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.447 HG22 ' SG ' ' B' ' 108' ' ' CYS . 39.2 mt -67.23 -41.33 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.169 0.588 . . . . 72.13 110.191 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.88 -39.59 94.56 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.692 0.797 . . . . 73.25 110.837 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.98 -35.27 62.06 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.517 0.727 . . . . 43.01 111.634 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.535 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.3 -29.19 63.62 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.272 0.629 . . . . 75.32 111.245 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -75.95 -49.35 17.98 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.003 0.921 . . . . 73.53 109.621 172.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.411 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 65.7 t80 -60.15 -41.07 91.96 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.478 1.111 . . . . 70.23 112.212 -176.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.493 HD21 HD13 ' A' ' 43' ' ' LEU . 88.3 mt -94.83 -12.33 27.19 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.859 0.864 . . . . 75.44 111.148 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 50.32 73.91 0.25 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.215 1.406 . . . . 55.43 111.231 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.57 HG12 ' HA ' ' A' ' 24' ' ' SER . 34.4 mt -119.32 108.61 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 108.224 -1.028 . . . . 72.11 108.224 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -58.41 -48.22 97.36 Favored Pre-proline 0 CA--C 1.565 1.537 0 CA-C-O 117.847 -1.073 . . . . 75.42 112.816 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -55.29 -45.2 42.03 Favored 'Trans proline' 0 C--N 1.402 3.363 0 C-N-CA 122.257 1.971 . . . . 72.3 113.379 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.535 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -65.72 -52.71 49.05 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.276 0.63 . . . . 74.52 109.326 -176.384 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.34 -48.15 83.0 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 124.421 1.076 . . . . 64.55 110.803 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.85 -50.81 69.45 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.243 0.964 . . . . 64.34 110.973 -175.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.14 -43.93 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 123.46 0.704 . . . . 73.12 111.075 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.3 m -71.82 -31.73 66.83 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 123.411 0.684 . . . . 73.53 111.473 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.47 ' SG ' HG22 ' B' ' 92' ' ' ILE . 71.1 m -73.22 -31.63 64.27 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.513 0.725 . . . . 64.21 110.316 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.77 -31.28 61.73 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.384 0.674 . . . . 51.21 110.239 175.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.405 ' O ' ' HG3' ' A' ' 114' ' ' MET . 48.2 m -60.51 -52.41 65.29 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.967 0.507 . . . . 75.42 110.729 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.88 -33.62 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 122.837 0.455 . . . . 72.11 111.488 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.83 78.74 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.251 0.62 . . . . 75.1 110.965 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -72.99 -31.71 64.68 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.474 0.71 . . . . 52.3 111.205 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 110' ' ' THR . 50.9 mtm -66.1 -39.4 89.95 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.316 0.385 . . . . 71.12 110.795 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.498 HD13 ' HD2' ' B' ' 89' ' ' PHE . 50.7 pt -89.26 -7.73 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 116.156 -0.474 . . . . 75.34 111.993 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -83.94 86.54 7.16 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.812 -0.44 . . . . 75.34 109.812 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 CA-C-O 119.413 -0.66 . . . . 64.34 111.974 178.269 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.3 p . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.766 0.317 . . . . 62.25 110.407 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.9 mt -104.0 141.2 36.59 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.73 0.812 . . . . 73.21 109.146 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.7 m -107.33 137.5 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.842 0.857 . . . . 75.32 109.194 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.573 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 58.3 mttp -93.48 118.24 31.08 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.963 0.905 . . . . 73.51 110.141 -175.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.97 103.72 10.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.434 -0.95 . . . . 73.43 108.434 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.538 ' HG3' HG22 ' B' ' 13' ' ' VAL . 3.1 mp0 -71.09 144.42 50.32 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.143 -0.688 . . . . 71.42 109.143 173.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.5 p -89.75 174.52 7.67 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.105 -0.702 . . . . 64.14 109.105 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -62.4 -23.49 66.86 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.687 -0.688 . . . . 75.12 110.296 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.536 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 23.9 t70 -85.79 4.87 35.03 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 125.261 1.425 . . . . 72.23 111.455 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 72.32 8.74 5.83 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.943 1.297 . . . . 75.44 113.466 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.19 123.78 31.85 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 110.054 -0.35 . . . . 72.45 110.054 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.538 HG22 ' HG3' ' B' ' 7' ' ' GLU . 61.5 t -81.42 117.2 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.194 0.997 . . . . 62.24 109.845 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.89 100.97 10.44 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.521 0.728 . . . . 74.15 110.12 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.573 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.6 mt-10 -89.75 94.1 9.71 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.178 -0.919 . . . . 61.51 109.154 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.666 HD12 ' HB3' ' B' ' 55' ' ' LEU . 8.3 tt -99.22 157.16 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 N-CA-C 108.966 -0.753 . . . . 53.41 108.966 177.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.17 132.85 55.22 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.348 0.659 . . . . 72.22 109.724 176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.92 -33.42 73.12 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.403 1.081 . . . . 74.12 111.662 -171.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.79 -35.5 80.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.337 0.655 . . . . 64.33 111.439 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' B' ' 59' ' ' ARG . 33.0 mt -80.77 -29.79 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 123.185 0.594 . . . . 71.3 110.181 -177.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.18 -20.65 65.6 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.469 0.708 . . . . 72.0 111.865 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 56.3 m -69.09 -24.08 64.09 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.667 0.787 . . . . 72.11 112.047 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . 0.659 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 85.3 mtp -65.49 -34.0 77.25 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.134 0.574 . . . . 73.25 111.256 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.575 ' HA ' HG12 ' B' ' 100' ' ' ILE . 35.3 t -73.57 112.07 9.31 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 107.556 -1.275 . . . . 75.44 107.556 168.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.48 -43.78 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.749 0.655 . . . . 61.34 110.717 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 92.9 m -61.43 -52.38 64.82 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.235 0.614 . . . . 54.54 111.986 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 70.2 mt -61.0 -44.96 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.826 0.45 . . . . 74.24 110.135 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -56.29 -53.23 59.66 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.077 0.951 . . . . 42.44 110.59 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -59.68 -38.92 82.86 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 124.035 0.834 . . . . 54.45 111.197 -176.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 73.3 mtm -68.6 -40.23 80.54 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 123.744 0.652 . . . . 74.14 111.291 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.16 -42.22 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 109.671 -0.492 . . . . 74.23 109.671 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -72.18 -31.86 66.31 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.074 0.95 . . . . 31.3 111.627 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.57 -36.51 76.35 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.296 1.038 . . . . 74.21 110.433 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -80.91 -27.85 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 CA-C-N 115.006 -0.997 . . . . 65.11 109.751 173.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.9 -63.83 0.34 Allowed Glycine 0 C--N 1.343 0.946 0 N-CA-C 109.942 -1.263 . . . . 75.13 109.942 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -162.98 97.38 0.93 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.494 1.117 . . . . 61.52 108.087 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 34.4 t -77.88 103.67 7.96 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.881 0.472 . . . . 41.13 110.561 -177.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -74.5 -26.52 60.05 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.629 0.771 . . . . 60.44 109.662 170.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.9 m -72.49 148.58 90.62 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 124.592 1.157 . . . . 54.15 110.628 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.49 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 67.9 Cg_endo -69.99 144.11 51.78 Favored 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.775 2.317 . . . . 75.0 112.439 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mp -107.42 101.89 41.41 Favored Pre-proline 0 CA--C 1.552 1.037 0 N-CA-C 108.565 -0.902 . . . . 61.32 108.565 177.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.9 119.06 6.04 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.887 2.391 . . . . 62.13 111.268 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.497 HD13 HD21 ' B' ' 98' ' ' LEU . 69.3 mt -98.97 92.9 1.78 Allowed Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 124.732 1.213 . . . . 71.3 109.299 176.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -83.62 -1.27 10.07 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.947 2.431 . . . . 74.34 114.283 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -88.93 -39.21 13.92 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.505 0.322 . . . . 64.51 110.433 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.417 HG11 HD13 ' B' ' 51' ' ' LEU . 11.9 p -91.57 136.68 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.075 0.55 . . . . 60.22 110.371 -174.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.0 p -81.46 166.01 20.72 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.472 0.709 . . . . 75.44 110.261 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.536 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.8 p -66.26 -44.06 84.7 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.016 0.526 . . . . 43.13 112.192 -172.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 35.5 m -56.55 -42.19 78.1 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.239 0.962 . . . . 42.3 111.105 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.614 HG23 HD23 ' B' ' 91' ' ' LEU . 49.7 mm -77.8 -43.94 28.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 114.968 -1.014 . . . . 74.53 110.74 -175.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.417 HD13 HG11 ' B' ' 46' ' ' VAL . 28.9 tp -64.42 -36.43 84.13 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 110.005 -0.369 . . . . 55.42 110.005 -178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.46 -54.37 47.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.285 1.034 . . . . 72.31 111.204 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -31.49 53.06 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.827 -1.079 . . . . 62.34 111.717 -170.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.28 -44.89 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.558 0.743 . . . . 64.43 110.174 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.666 ' HB3' HD12 ' B' ' 16' ' ' ILE . 69.7 mt -65.26 -36.31 83.73 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 122.879 0.472 . . . . 74.32 110.99 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -75.4 -32.26 60.71 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.042 0.537 . . . . 71.34 111.48 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -64.07 -48.47 76.11 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 109.017 -0.734 . . . . 75.2 109.017 172.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 80.1 m -60.16 -33.94 72.88 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 115.058 -0.973 . . . . 74.44 110.632 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.513 ' HA ' HD13 ' B' ' 20' ' ' ILE . 40.5 ttm105 -58.38 -52.77 64.2 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 123.102 0.561 . . . . 72.44 110.65 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -61.5 -41.35 97.15 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.666 0.604 . . . . 75.4 111.259 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -72.64 -22.59 60.92 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.233 0.613 . . . . 74.23 110.835 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . 0.659 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 42.4 t60 -77.74 -43.81 29.73 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.884 0.874 . . . . 74.11 110.087 176.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.68 -35.84 73.0 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.116 0.966 . . . . 62.32 110.796 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 C--O 1.24 0.582 0 C-N-CA 124.116 0.967 . . . . 71.53 108.938 178.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.7 mm . . . . . 0 CA--C 1.55 0.958 0 N-CA-C 109.732 -0.47 . . . . 72.31 109.732 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.19 154.44 37.01 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.063 2.509 . . . . 54.2 111.444 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -61.29 -60.31 0.24 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.931 2.421 . . . . 64.15 112.931 -172.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.17 -42.2 94.47 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.507 0.723 . . . . 74.52 111.446 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -29.3 67.97 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.005 0.922 . . . . 73.24 111.242 -173.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.4 ' HG2' ' HE3' ' B' ' 82' ' ' LYS . 68.3 ttt180 -70.36 -45.29 66.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.076 0.551 . . . . 70.25 109.92 173.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.5 -23.33 63.61 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.447 -0.797 . . . . 70.4 111.381 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -65.13 -41.34 94.91 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.046 0.938 . . . . 63.43 110.201 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 59.3 m -69.98 -24.47 63.32 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.338 -0.846 . . . . 75.21 110.94 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.4 ' HE3' ' HG2' ' B' ' 78' ' ' ARG . 90.6 mttt -76.8 87.38 3.4 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 109.53 -0.544 . . . . 73.3 109.53 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 10.4 m -132.4 165.46 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.987 0.915 . . . . 65.12 110.421 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -71.21 161.41 31.14 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.957 0.903 . . . . 64.13 108.996 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -57.72 -48.63 96.87 Favored Pre-proline 0 CA--C 1.569 1.678 0 CA-C-O 118.405 -0.807 . . . . 62.32 112.642 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.73 -39.5 20.28 Favored 'Trans proline' 0 C--N 1.397 3.096 0 C-N-CA 121.521 1.481 . . . . 33.21 112.056 173.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 15.3 m -63.32 -29.88 71.11 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.667 1.187 . . . . 64.21 111.487 -177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tt -67.58 -45.0 76.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.129 0.972 . . . . 42.11 109.464 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.498 ' HD2' HD13 ' A' ' 115' ' ' ILE . 22.0 m-85 -70.95 -29.97 66.13 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.56 -0.745 . . . . 73.14 111.152 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.543 ' HB3' HG13 ' B' ' 50' ' ' ILE . 20.2 mm-40 -60.43 -39.08 86.2 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.597 0.759 . . . . 72.21 111.153 171.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.614 HD23 HG23 ' B' ' 50' ' ' ILE . 83.2 mt -64.54 -38.64 91.71 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.116 0.567 . . . . 61.23 110.931 175.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.47 HG22 ' SG ' ' A' ' 108' ' ' CYS . 39.7 mt -66.9 -41.16 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.167 0.587 . . . . 73.1 110.273 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.11 -39.46 94.09 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.62 0.768 . . . . 53.01 110.944 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.08 -35.48 61.8 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.555 0.742 . . . . 75.1 111.483 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.549 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -71.93 -29.25 64.09 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.344 0.658 . . . . 44.22 111.289 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -76.65 -48.16 19.9 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.12 0.968 . . . . 75.21 110.019 173.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . 0.407 ' HE1' ' HB3' ' B' ' 43' ' ' LEU . 68.0 t80 -60.62 -41.67 95.32 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.477 1.111 . . . . 73.05 111.907 -176.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.497 HD21 HD13 ' B' ' 43' ' ' LEU . 88.6 mt -94.39 -12.65 27.47 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.651 0.78 . . . . 75.44 111.09 -178.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 33.5 t70 50.14 74.98 0.19 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.261 1.424 . . . . 71.34 111.179 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.575 HG12 ' HA ' ' B' ' 24' ' ' SER . 34.0 mt -120.11 108.17 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 108.063 -1.088 . . . . 54.52 108.063 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.01 -48.45 97.07 Favored Pre-proline 0 CA--C 1.566 1.577 0 CA-C-O 117.851 -1.071 . . . . 70.41 112.782 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -55.22 -44.84 45.25 Favored 'Trans proline' 0 C--N 1.401 3.29 0 C-N-CA 122.38 2.053 . . . . 75.3 113.519 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.549 HD12 ' HB2' ' B' ' 95' ' ' ALA . 0.3 OUTLIER -66.14 -52.26 50.03 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.306 0.642 . . . . 72.33 109.409 -176.545 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 42.5 tp -60.58 -48.89 79.79 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.32 1.048 . . . . 75.14 110.81 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.1 -50.68 70.97 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.355 1.034 . . . . 71.02 111.016 -175.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 42.6 t -58.21 -43.9 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.591 0.756 . . . . 73.24 111.247 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.8 m -71.99 -31.5 66.3 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.514 0.726 . . . . 65.4 111.451 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.447 ' SG ' HG22 ' A' ' 92' ' ' ILE . 71.3 m -73.46 -31.49 63.81 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.58 0.752 . . . . 62.01 110.314 176.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.13 -31.57 61.14 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.439 0.696 . . . . 75.35 110.136 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 51.2 m -60.06 -52.28 66.04 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.897 0.479 . . . . 72.24 110.867 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 31.6 m -64.12 -33.71 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.83 0.452 . . . . 74.23 111.435 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.33 77.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.264 0.626 . . . . 43.44 110.87 177.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.91 -32.11 65.1 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.605 0.762 . . . . 71.41 111.361 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 46.9 mtm -66.01 -39.66 90.44 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.563 0.539 . . . . 72.14 110.67 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.471 HD13 ' HD2' ' A' ' 89' ' ' PHE . 48.5 pt -88.92 -8.2 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 116.077 -0.51 . . . . 65.34 111.977 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.697 -0.483 . . . . 72.21 109.697 -177.843 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 110.335 -0.246 . . . . 52.35 110.335 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 m -85.29 120.91 36.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 108.877 -0.786 . . . . 72.52 108.877 170.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.544 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 91.1 mttt -84.24 121.67 27.8 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.991 -1.004 . . . . 65.44 108.861 -176.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.9 mt -118.86 104.01 10.15 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.982 0.513 . . . . 72.55 109.74 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG3' HG22 ' A' ' 13' ' ' VAL . 3.0 mp0 -72.74 143.97 47.79 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.136 -0.69 . . . . 75.24 109.136 169.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.4 p -92.15 -177.16 4.59 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 115.277 -0.874 . . . . 72.01 110.112 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.9 p -66.77 -26.08 66.8 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.087 0.555 . . . . 74.3 110.049 168.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -83.26 -4.47 58.46 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.606 1.162 . . . . 71.12 110.808 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 75.27 -1.16 3.12 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 125.816 1.646 . . . . 72.51 114.054 172.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -72.54 132.92 44.44 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.464 0.575 . . . . 72.34 109.68 173.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG22 ' HG3' ' A' ' 7' ' ' GLU . 43.3 t -84.33 138.81 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.648 1.179 . . . . 51.15 110.395 -174.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -130.33 101.46 5.77 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.803 0.841 . . . . 74.25 109.258 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.544 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 29.7 mt-10 -86.48 87.09 7.37 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.029 -0.987 . . . . 74.24 109.391 -175.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.612 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.7 tt -99.29 152.25 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.514 0.725 . . . . 71.32 109.483 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' HB3' ' OE2' ' A' ' 19' ' ' GLU . 34.0 mp0 -60.19 135.35 57.7 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.856 0.863 . . . . 74.05 109.945 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.34 -43.22 95.31 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.262 0.625 . . . . 74.41 111.574 -173.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.419 ' OE2' ' HB3' ' A' ' 17' ' ' GLU . 2.8 pm0 -57.11 -30.01 64.02 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.873 0.869 . . . . 74.45 112.211 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.559 HD13 ' HA ' ' A' ' 59' ' ' ARG . 36.8 mt -77.43 -42.02 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.466 0.706 . . . . 45.0 109.79 176.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.79 -2.39 17.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.992 0.917 . . . . 72.14 112.59 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.2 m -74.09 -23.45 59.33 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.503 0.721 . . . . 71.4 111.979 175.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.2 mtm -69.48 -25.01 63.86 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 120.719 0.295 . . . . 62.33 110.765 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 t -74.54 99.1 3.51 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.633 -1.247 . . . . 72.32 107.633 166.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.1 -35.32 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 123.57 0.544 . . . . 74.13 110.804 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.7 m -60.95 -53.17 60.51 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.369 0.668 . . . . 75.44 111.615 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.6 mt -66.6 -39.44 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 123.287 0.635 . . . . 75.45 109.985 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -57.37 -49.49 76.0 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.062 0.945 . . . . 74.44 110.593 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -64.58 -36.13 83.25 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.484 0.714 . . . . 74.31 111.113 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.97 -42.95 97.11 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.311 0.645 . . . . 72.41 110.92 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.425 HG23 ' H ' ' A' ' 37' ' ' SER . 79.8 mt -67.49 -47.39 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 115.679 -0.692 . . . . 63.12 110.357 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.82 -37.31 81.57 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.25 1.02 . . . . 65.34 111.506 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.47 -45.07 92.69 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.211 1.004 . . . . 62.13 110.904 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -88.97 -11.85 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 114.843 -1.071 . . . . 63.12 110.744 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.15 -76.53 0.45 Allowed Glycine 0 C--N 1.344 1.028 0 N-CA-C 109.92 -1.272 . . . . 14.21 109.92 -173.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -143.19 103.15 4.1 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.47 1.108 . . . . 64.35 108.837 171.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.425 ' H ' HG23 ' A' ' 31' ' ' ILE . 49.2 m -68.2 101.87 1.25 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.892 0.877 . . . . 64.42 111.011 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -83.9 -32.08 25.33 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.647 0.779 . . . . 63.05 110.473 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.5 p -72.57 139.96 81.37 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.421 -0.809 . . . . 70.42 109.776 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.5 142.68 89.49 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.795 2.33 . . . . 70.42 113.124 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.41 105.94 36.26 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 108.616 -0.883 . . . . 62.43 108.616 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.403 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.1 Cg_exo -76.83 126.68 8.96 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.109 2.539 . . . . 74.31 110.969 174.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.7 mt -112.16 94.17 24.88 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 124.112 0.965 . . . . 63.33 110.274 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -83.09 69.57 7.03 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 123.269 2.646 . . . . 74.23 112.527 -177.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -166.75 -66.58 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.329 -0.85 . . . . 64.13 108.819 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.53 124.38 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.485 -0.779 . . . . 70.12 110.596 -176.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.1 p -71.29 167.46 19.41 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.512 0.725 . . . . 73.32 110.727 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.3 p -66.55 -38.68 87.63 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.006 0.522 . . . . 75.24 111.56 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.3 m -63.78 -47.58 80.38 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.623 0.769 . . . . 75.3 110.804 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.588 HG23 HD23 ' A' ' 91' ' ' LEU . 48.4 mm -71.33 -46.05 66.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 115.313 -0.858 . . . . 73.54 110.431 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.7 tp -59.73 -38.07 80.7 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.68 0.792 . . . . 74.23 110.604 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -58.58 -51.02 71.66 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.973 0.796 . . . . 71.45 110.078 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -65.52 -47.72 74.96 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 124.083 0.864 . . . . 44.53 112.056 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.6 t -61.39 -46.7 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.665 0.786 . . . . 73.53 110.54 -176.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.612 ' HB3' HD12 ' A' ' 16' ' ' ILE . 78.0 mt -65.8 -44.39 85.84 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.917 0.487 . . . . 74.11 110.946 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.45 -37.62 84.24 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.151 0.98 . . . . 72.21 111.079 -176.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD1' HD23 ' A' ' 103' ' ' LEU . 57.9 t80 -66.54 -46.36 76.39 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.589 -0.732 . . . . 73.45 109.932 174.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.578 ' SG ' HG21 ' A' ' 100' ' ' ILE . 93.1 m -60.33 -31.93 70.76 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.703 -0.68 . . . . 64.41 111.396 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.559 ' HA ' HD13 ' A' ' 20' ' ' ILE . 37.7 mtp180 -61.27 -44.16 97.69 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.784 -0.45 . . . . 74.2 109.784 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.79 -41.56 91.8 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.628 -0.715 . . . . 72.3 110.996 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -71.53 -20.55 62.03 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.146 0.578 . . . . 74.0 111.405 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.444 ' CG ' HG12 ' A' ' 20' ' ' ILE . 77.3 t60 -78.39 -41.09 34.17 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.989 -0.375 . . . . 72.42 109.989 174.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 12.3 mm100 -70.43 -27.76 64.52 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.715 -0.675 . . . . 73.44 110.317 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 CA--C 1.546 0.814 0 C-N-CA 124.036 0.934 . . . . 64.24 108.755 174.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.424 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 39.9 mm . . . . . 0 CA--C 1.555 1.147 0 CA-C-O 119.809 -0.138 . . . . 74.32 110.629 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 73' ' ' ILE . 9.6 Cg_endo -52.46 140.73 53.39 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.096 2.531 . . . . 70.22 112.663 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 89.0 Cg_exo -49.85 -35.84 41.1 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 123.688 2.926 . . . . 75.21 114.809 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -58.28 -49.56 76.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.75 0.42 . . . . 71.1 111.37 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.71 -30.97 68.72 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.952 0.901 . . . . 74.2 111.192 -172.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -72.51 -50.18 27.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.192 0.997 . . . . 73.12 110.4 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.458 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 12.4 m-20 -77.64 -14.26 59.68 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.289 1.435 . . . . 71.05 112.481 -176.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.455 ' CE2' HD21 ' A' ' 103' ' ' LEU . 71.3 t80 -52.93 -35.94 59.14 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.31 0.644 . . . . 72.22 110.49 171.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.2 m -68.63 -18.16 64.25 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.776 1.23 . . . . 42.24 112.367 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 34.9 mmtp -74.61 79.99 1.99 Allowed 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.485 0.66 . . . . 74.35 110.253 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -138.84 162.68 28.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 C-N-CA 124.776 1.23 . . . . 61.04 108.751 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -64.28 157.7 25.31 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.719 0.808 . . . . 75.54 110.157 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -54.28 51.93 Favored Pre-proline 0 CA--C 1.571 1.767 0 C-N-CA 123.864 0.866 . . . . 72.02 112.004 -169.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.412 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 57.9 Cg_endo -69.19 -31.63 22.63 Favored 'Trans proline' 0 C--N 1.393 2.869 0 CA-C-N 121.1 1.429 . . . . 54.41 112.379 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.5 m -62.46 -31.07 71.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.449 1.1 . . . . 75.05 111.512 -178.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.55 -41.09 89.19 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.922 0.889 . . . . 63.02 109.688 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -72.45 -29.01 63.29 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.891 -0.595 . . . . 73.4 111.43 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 15.1 mm-40 -61.67 -36.49 81.02 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.662 0.385 . . . . 64.45 110.529 172.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.588 HD23 HG23 ' A' ' 50' ' ' ILE . 97.5 mt -65.36 -37.4 86.91 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.577 0.751 . . . . 71.54 111.153 174.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.3 mt -68.77 -43.91 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 123.301 0.64 . . . . 73.41 110.475 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.24 -38.21 90.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.567 0.747 . . . . 72.31 110.621 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.61 -41.73 68.55 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.638 0.775 . . . . 72.12 111.228 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.14 83.33 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.458 0.703 . . . . 44.13 111.277 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.475 HD21 ' HA ' ' B' ' 105' ' ' ASP . 47.7 t30 -78.62 -37.3 42.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.033 0.833 . . . . 72.52 110.458 177.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.4 -34.73 78.38 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.63 0.772 . . . . 72.54 111.121 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.7 mt -97.36 -13.3 21.96 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.68 0.792 . . . . 70.41 111.264 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 59.3 33.55 22.57 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.473 1.109 . . . . 53.43 111.768 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.578 HG21 ' SG ' ' A' ' 58' ' ' CYS . 31.6 mt -75.31 93.6 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.624 -0.88 . . . . 73.14 108.624 174.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -54.2 -49.96 87.31 Favored Pre-proline 0 CA--C 1.572 1.8 0 C-N-CA 124.345 1.058 . . . . 62.2 111.86 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.9 -50.91 10.13 Favored 'Trans proline' 0 C--N 1.399 3.193 0 C-N-CA 121.629 1.553 . . . . 62.22 113.323 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 57' ' ' TYR . 2.3 tm? -68.13 -39.4 82.72 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.763 0.425 . . . . 73.22 110.263 -176.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.567 HD21 HD21 ' B' ' 104' ' ' LEU . 61.8 tp -57.83 -46.63 84.44 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.769 0.828 . . . . 74.41 110.572 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.512 ' HA ' HD21 ' B' ' 96' ' ' ASN . 19.1 t70 -66.75 -51.69 52.99 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 124.218 0.948 . . . . 74.53 110.381 -174.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.3 t -55.99 -46.87 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 124.01 0.819 . . . . 44.23 111.307 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -70.96 -34.73 71.72 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.412 0.685 . . . . 75.2 111.954 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 91.6 m -72.28 -37.24 69.08 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.971 0.509 . . . . 72.14 110.694 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 105' ' ' ASP . 33.0 mmtp -68.37 -33.34 74.1 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.274 0.63 . . . . 72.32 109.786 177.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.0 m -58.62 -47.78 83.23 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 123.337 0.655 . . . . 74.2 111.11 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.5 t -64.81 -41.82 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 O-C-N 123.399 0.437 . . . . 61.51 110.312 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.84 73.0 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.953 -1.021 . . . . 72.11 111.319 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -81.07 -24.57 37.69 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.299 1.04 . . . . 52.43 111.818 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 47.0 mtm -71.85 -50.28 30.9 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.483 -0.562 . . . . 74.51 109.483 176.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.4 pt -77.48 -30.7 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 115.679 -0.691 . . . . 72.22 110.874 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 55.69 64.31 1.78 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.658 1.183 . . . . 72.31 110.6 -172.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.311 0 CA-C-N 114.395 -1.275 . . . . 61.22 112.653 -178.241 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.53 0.205 . . . . 50.03 110.744 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 91.5 mt -82.36 117.6 22.55 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.134 0.574 . . . . 74.44 110.279 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -84.47 121.63 36.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.975 -0.75 . . . . 73.01 108.975 169.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.554 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 91.0 mttt -85.02 122.3 29.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.969 -1.014 . . . . 75.12 108.714 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.5 mt -119.59 103.99 9.9 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.072 0.549 . . . . 71.22 109.765 -175.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.408 ' HG3' HG22 ' B' ' 13' ' ' VAL . 4.4 mp0 -72.37 142.9 48.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.016 -0.735 . . . . 74.45 109.016 169.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 28.3 p -91.38 -177.37 4.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.287 -0.869 . . . . 65.2 110.128 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 59.4 p -67.19 -23.57 65.77 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.213 0.605 . . . . 70.23 110.252 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -85.75 -4.06 59.06 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.434 1.093 . . . . 52.45 110.864 175.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 75.09 -0.62 3.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.762 1.625 . . . . 74.33 114.133 172.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -73.36 132.77 43.42 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.517 -0.549 . . . . 51.43 109.517 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.408 HG22 ' HG3' ' B' ' 7' ' ' GLU . 43.6 t -83.93 140.11 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.836 1.254 . . . . 75.13 110.25 -175.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -131.28 101.55 5.61 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.714 0.806 . . . . 70.52 109.1 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.554 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 27.3 mt-10 -86.09 86.44 7.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.044 0.937 . . . . 33.42 109.502 -176.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' B' ' 55' ' ' LEU . 12.8 tt -98.37 152.37 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.482 0.713 . . . . 54.13 109.559 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 -60.48 135.71 57.83 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.812 0.845 . . . . 74.23 109.896 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.21 -44.94 90.38 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.257 0.623 . . . . 73.12 111.506 -173.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -55.54 -30.98 61.71 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.175 0.99 . . . . 44.23 111.976 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' B' ' 59' ' ' ARG . 36.9 mt -76.96 -41.92 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 C-N-CA 123.223 0.609 . . . . 74.34 109.893 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.25 -2.83 17.41 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.897 0.879 . . . . 45.24 112.541 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.0 m -72.96 -23.77 60.71 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.295 0.638 . . . . 55.33 112.059 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 70.6 mtm -68.93 -25.44 64.57 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 118.043 0.383 . . . . 54.15 110.826 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.7 t -74.36 99.91 3.63 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.745 -1.206 . . . . 73.51 107.745 166.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.38 -35.45 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.091 0.557 . . . . 73.43 110.814 -175.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.6 m -60.99 -53.15 60.83 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.396 0.679 . . . . 75.14 111.668 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.56 -39.55 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.14 0.576 . . . . 64.01 109.972 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -57.33 -49.64 75.49 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.104 0.962 . . . . 72.15 110.675 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -64.24 -35.54 81.14 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.506 0.723 . . . . 75.12 111.178 -178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 67.0 mtt -64.74 -43.11 94.4 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 123.695 0.622 . . . . 71.23 110.762 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.422 HG23 ' H ' ' B' ' 37' ' ' SER . 79.8 mt -67.79 -46.47 82.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.589 -0.732 . . . . 72.22 110.19 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.29 -38.17 85.84 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.945 0.898 . . . . 75.12 111.354 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.89 -44.89 91.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.443 1.097 . . . . 71.43 110.94 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 60.3 mt -89.49 -9.93 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 124.434 1.094 . . . . 64.22 110.674 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.15 -75.63 0.67 Allowed Glycine 0 C--N 1.344 0.992 0 N-CA-C 110.016 -1.234 . . . . 73.52 110.016 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -143.35 103.02 4.06 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.986 0.914 . . . . 73.4 108.904 171.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.422 ' H ' HG23 ' B' ' 31' ' ' ILE . 43.2 m -68.14 102.03 1.27 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.768 0.827 . . . . 61.1 110.644 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -83.13 -33.43 26.28 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.411 0.684 . . . . 73.32 110.108 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.1 p -71.12 141.05 85.98 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 123.417 0.687 . . . . 74.11 110.01 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.92 140.45 92.08 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.728 2.285 . . . . 33.14 113.271 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.14 105.95 28.07 Favored Pre-proline 0 CA--C 1.554 1.099 0 N-CA-C 108.699 -0.852 . . . . 74.22 108.699 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.24 126.54 8.57 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.956 2.437 . . . . 72.32 110.927 174.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.406 HD13 HD21 ' B' ' 98' ' ' LEU . 79.8 mt -111.95 95.06 27.47 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.18 0.992 . . . . 75.23 110.244 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -83.78 70.93 6.04 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 123.195 2.596 . . . . 61.32 112.256 -177.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -167.89 -66.43 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.364 -0.834 . . . . 62.53 109.061 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.09 124.68 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 115.205 -0.907 . . . . 45.24 110.59 -176.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 78.0 p -71.87 167.68 19.5 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.526 0.731 . . . . 72.5 110.688 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.7 p -67.65 -37.7 82.79 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.829 0.452 . . . . 75.14 111.313 -176.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 19.3 m -62.58 -48.83 77.73 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.922 0.763 . . . . 75.05 110.662 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.623 HG23 HD23 ' B' ' 91' ' ' LEU . 48.2 mm -71.7 -45.39 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 115.275 -0.875 . . . . 54.21 110.414 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 37.8 tp -60.37 -37.89 82.18 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.673 0.789 . . . . 72.21 110.613 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.7 -50.9 72.2 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 123.985 0.803 . . . . 74.03 110.049 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -65.43 -47.92 74.55 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 124.317 1.01 . . . . 72.3 111.82 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.72 -46.82 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.72 0.808 . . . . 72.43 110.498 -175.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.611 ' HB3' HD12 ' B' ' 16' ' ' ILE . 80.9 mt -65.48 -44.27 87.64 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.469 0.481 . . . . 72.43 111.067 177.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.06 -36.65 82.28 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.125 0.97 . . . . 70.52 111.029 -175.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . 0.456 ' CD1' HD23 ' B' ' 103' ' ' LEU . 57.6 t80 -67.41 -46.12 74.15 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.528 -0.76 . . . . 74.52 109.907 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.564 ' SG ' HG21 ' B' ' 100' ' ' ILE . 97.6 m -60.65 -32.0 71.19 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.659 -0.7 . . . . 64.11 111.466 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.576 ' HA ' HD13 ' B' ' 20' ' ' ILE . 36.6 mtp-105 -61.65 -43.44 98.84 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.823 -0.436 . . . . 72.22 109.823 176.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -66.14 -41.56 90.29 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.758 -0.655 . . . . 73.01 111.004 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -71.48 -19.58 62.19 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.187 0.595 . . . . 61.44 111.474 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . 0.438 ' CG ' HG12 ' B' ' 20' ' ' ILE . 79.8 t60 -79.11 -40.93 29.84 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 110.099 -0.334 . . . . 72.41 110.099 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 12.2 mm100 -71.08 -26.36 63.02 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.835 -0.62 . . . . 70.4 110.735 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 124.088 0.955 . . . . 73.11 108.576 174.609 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . 0.452 ' HA ' ' HD2' ' B' ' 74' ' ' PRO . 41.1 mm . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 119.873 -0.108 . . . . 62.43 110.839 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' B' ' 73' ' ' ILE . 9.9 Cg_endo -52.33 140.02 53.51 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.191 2.594 . . . . 75.11 112.786 176.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 74' ' ' PRO . 87.7 Cg_exo -49.68 -35.99 39.93 Favored 'Trans proline' 0 C--N 1.386 2.526 0 C-N-CA 123.76 2.973 . . . . 72.32 114.79 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.4 -49.36 77.53 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.684 0.394 . . . . 55.44 111.441 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.65 -31.31 69.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.916 0.886 . . . . 71.24 111.095 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -71.96 -50.1 31.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.315 1.046 . . . . 73.14 110.477 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.494 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 14.8 m-20 -77.57 -14.07 59.75 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.076 1.35 . . . . 73.52 112.527 -176.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.458 ' CE2' HD21 ' B' ' 103' ' ' LEU . 71.3 t80 -53.27 -35.42 60.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.1 0.56 . . . . 53.31 110.669 171.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 53.0 m -69.06 -16.98 63.82 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.793 1.237 . . . . 30.31 112.607 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.494 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 34.6 mmtp -75.49 78.27 2.53 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.333 0.653 . . . . 72.03 110.404 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -136.49 163.38 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.594 1.158 . . . . 74.14 108.867 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.86 157.28 25.05 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.63 0.772 . . . . 63.24 110.073 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -54.72 46.75 Favored Pre-proline 0 CA--C 1.572 1.805 0 C-N-CA 123.943 0.897 . . . . 73.05 111.876 -169.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.46 -30.65 23.34 Favored 'Trans proline' 0 C--N 1.391 2.776 0 CA-C-N 121.066 1.416 . . . . 62.42 112.426 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.2 m -63.14 -30.97 72.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.113 0.965 . . . . 61.42 111.451 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.16 -41.08 90.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.856 0.862 . . . . 75.15 109.596 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -72.2 -29.06 63.61 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.863 -0.608 . . . . 61.31 111.592 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -61.78 -36.52 81.32 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.623 0.369 . . . . 75.21 110.426 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.623 HD23 HG23 ' B' ' 50' ' ' ILE . 97.2 mt -65.72 -37.11 85.53 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.597 0.759 . . . . 74.14 110.937 175.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 58.4 mt -68.88 -44.04 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 123.427 0.691 . . . . 74.3 110.482 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.13 -38.31 90.62 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.534 0.733 . . . . 71.34 110.576 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.34 -41.54 69.66 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.98 0.8 . . . . 42.04 111.245 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.86 82.52 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.617 -0.72 . . . . 74.42 111.283 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . 0.512 HD21 ' HA ' ' A' ' 105' ' ' ASP . 45.7 t30 -79.33 -36.83 38.88 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.726 0.81 . . . . 64.21 110.643 178.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -63.06 -36.48 83.71 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.641 0.776 . . . . 64.14 110.838 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.406 HD21 HD13 ' B' ' 43' ' ' LEU . 98.4 mt -96.09 -13.03 23.97 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.756 0.823 . . . . 73.33 111.279 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 59.12 33.44 22.83 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.384 1.074 . . . . 61.23 111.944 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.564 HG21 ' SG ' ' B' ' 58' ' ' CYS . 31.8 mt -75.3 93.76 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.664 -0.865 . . . . 63.52 108.664 174.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -54.24 -49.99 87.2 Favored Pre-proline 0 CA--C 1.57 1.72 0 C-N-CA 124.356 1.063 . . . . 63.32 111.928 -176.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.13 -50.61 10.76 Favored 'Trans proline' 0 C--N 1.397 3.121 0 C-N-CA 121.754 1.636 . . . . 72.13 113.268 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.458 HD21 ' CE2' ' B' ' 80' ' ' PHE . 2.4 tm? -68.27 -39.48 82.16 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.805 0.442 . . . . 72.4 110.126 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.567 HD21 HD21 ' A' ' 104' ' ' LEU . 61.0 tp -57.97 -46.63 84.86 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.626 0.77 . . . . 73.32 110.619 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.475 ' HA ' HD21 ' A' ' 96' ' ' ASN . 19.7 t70 -66.07 -51.81 54.71 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 124.261 0.976 . . . . 73.35 110.582 -175.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 77.9 t -56.32 -46.96 81.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 O-C-N 124.025 0.828 . . . . 40.55 111.128 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.2 m -70.78 -34.47 71.82 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.395 0.678 . . . . 50.34 111.898 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 90.8 m -72.43 -37.53 68.56 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.011 0.524 . . . . 63.43 110.725 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' B' ' 105' ' ' ASP . 32.8 mmtp -68.35 -32.98 73.47 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.175 0.59 . . . . 73.44 109.686 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 92.6 m -58.8 -47.71 83.8 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 123.324 0.65 . . . . 73.42 111.085 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t -65.1 -42.07 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 123.426 0.454 . . . . 74.2 110.092 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.16 -34.57 73.76 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.73 -1.123 . . . . 61.04 111.143 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -80.75 -24.48 38.65 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.211 1.004 . . . . 74.11 111.76 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 49.9 mtm -71.01 -51.27 26.37 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 109.27 -0.641 . . . . 72.5 109.27 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 40.8 pt -76.34 -30.94 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.489 -0.778 . . . . 63.32 110.736 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 . . . . . 0 C--N 1.357 0.898 0 C-N-CA 124.692 1.197 . . . . 75.54 110.484 -171.588 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 109.962 -0.384 . . . . 72.22 109.962 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.5 m -80.01 125.89 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.46 -0.571 . . . . 75.42 109.46 175.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.605 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 89.5 mttt -93.82 110.85 22.48 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.672 -0.862 . . . . 73.52 108.672 -175.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.4 mt -111.09 101.03 9.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.703 0.801 . . . . 63.22 109.25 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -81.72 128.91 34.47 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.516 -0.549 . . . . 75.31 109.516 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.5 p -71.11 -179.49 2.37 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.284 0.634 . . . . 54.01 111.103 172.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.2 p -68.67 -18.44 64.27 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.95 0.5 . . . . 72.43 110.468 169.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 29.4 t70 -91.69 9.86 30.68 Favored 'General case' 0 CA--C 1.564 1.492 0 C-N-CA 124.276 1.03 . . . . 73.24 110.591 173.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 68.98 8.9 7.12 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 125.447 1.499 . . . . 64.31 113.872 168.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -76.1 122.64 24.57 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.792 0.437 . . . . 62.45 110.166 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG13 ' HB3' ' A' ' 5' ' ' LYS . 61.2 t -78.97 102.14 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.627 1.171 . . . . 74.31 110.024 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -93.21 88.79 6.17 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.094 0.557 . . . . 61.34 109.908 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.56 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 31.1 mt-10 -73.24 111.94 8.83 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.085 -0.961 . . . . 71.34 108.54 173.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.2 tt -139.98 155.8 24.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.238 0.615 . . . . 72.24 109.475 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.83 133.28 55.28 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.483 0.713 . . . . 74.53 110.151 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.53 -31.57 69.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.06 0.944 . . . . 70.44 111.918 -176.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -56.0 -35.99 67.42 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.144 0.978 . . . . 75.25 112.129 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.46 HD13 ' HB2' ' A' ' 59' ' ' ARG . 37.8 mt -80.37 -34.82 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.0 0.92 . . . . 74.04 110.052 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.6 68.39 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.525 -0.762 . . . . 72.13 111.334 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.403 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 84.4 m -75.1 -27.27 59.8 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.782 0.833 . . . . 53.4 111.48 174.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.49 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 86.1 mtp -65.27 -37.51 87.43 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.235 0.541 . . . . 64.22 110.109 173.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.615 ' HA ' HG12 ' A' ' 100' ' ' ILE . 43.1 t -70.48 115.99 10.29 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.809 -1.087 . . . . 55.35 108.391 170.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 86.2 t -60.47 -52.05 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.46 0.704 . . . . 64.22 111.381 -174.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.0 m -64.58 -44.21 91.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.215 0.606 . . . . 74.25 112.086 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.452 HG13 HD22 ' A' ' 98' ' ' LEU . 70.5 mt -65.04 -42.39 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 109.884 -0.413 . . . . 70.22 109.884 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 20.2 ttpp -56.26 -45.09 80.2 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.961 0.904 . . . . 71.04 110.539 174.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.18 -34.49 77.75 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.772 0.67 . . . . 35.25 110.649 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.9 mtm -72.45 -34.33 67.68 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.827 0.451 . . . . 60.52 111.08 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 27' ' ' ILE . 78.6 mt -68.67 -38.12 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 N-CA-C 109.233 -0.655 . . . . 62.11 109.233 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.76 -26.44 59.77 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.495 0.718 . . . . 74.42 111.254 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.44 -46.07 20.66 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.638 0.775 . . . . 73.44 111.118 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -89.08 -39.76 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 115.552 -0.749 . . . . 75.31 110.063 -174.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.07 -151.77 18.18 Favored Glycine 0 C--N 1.342 0.876 0 N-CA-C 110.619 -0.993 . . . . 44.12 110.619 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -80.26 74.11 7.1 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 121.48 0.657 . . . . 34.5 109.536 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -75.4 109.14 8.7 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.254 -0.885 . . . . 71.12 110.647 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.19 -28.26 63.09 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.348 0.659 . . . . 72.33 109.565 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 m -60.61 136.61 92.57 Favored Pre-proline 0 CA--C 1.547 0.854 0 CA-C-N 115.172 -0.922 . . . . 62.52 110.7 172.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.605 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.6 Cg_endo -68.78 143.19 54.84 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.716 2.278 . . . . 71.14 111.772 177.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.4 mm -104.23 102.05 30.32 Favored Pre-proline 0 CA--C 1.551 1.007 0 N-CA-C 109.469 -0.567 . . . . 73.12 109.469 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.98 136.42 10.41 Favored 'Trans proline' 0 C--N 1.372 1.77 0 C-N-CA 122.486 2.124 . . . . 71.31 111.985 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.2 mt -103.41 95.34 6.94 Favored Pre-proline 0 CA--C 1.557 1.213 0 C-N-CA 124.556 1.142 . . . . 75.1 108.248 172.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -82.78 42.3 1.27 Allowed 'Trans proline' 0 C--N 1.378 2.113 0 C-N-CA 123.636 2.891 . . . . 71.54 113.974 -170.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -142.73 -57.61 0.43 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.211 0.604 . . . . 72.24 109.89 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.39 127.62 34.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 115.883 -0.599 . . . . 71.12 110.105 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.7 p -75.05 171.07 14.77 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.531 0.732 . . . . 41.23 111.494 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 34.1 p -63.06 -48.02 80.48 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.767 0.827 . . . . 71.14 112.181 -175.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 62.7 p -57.15 -46.2 82.95 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 124.237 0.961 . . . . 73.25 110.881 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.589 HG23 HD23 ' A' ' 91' ' ' LEU . 46.8 mm -74.99 -46.69 39.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.756 -0.656 . . . . 73.11 110.924 -174.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.38 -36.82 84.99 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.107 0.563 . . . . 73.01 110.844 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.99 -49.88 76.19 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.26 0.624 . . . . 75.13 109.822 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 49' ' ' THR . 27.9 mtpp -64.29 -46.92 81.5 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.56 1.163 . . . . 65.2 111.781 -176.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.541 HG13 ' HG ' ' A' ' 103' ' ' LEU . 70.2 t -60.77 -44.94 98.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 123.608 0.763 . . . . 64.44 110.089 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.5 mt -70.07 -32.12 70.05 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.304 0.641 . . . . 75.23 111.516 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.57 -32.33 60.34 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.475 0.71 . . . . 70.25 111.213 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -75.1 -40.02 60.26 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.825 -0.435 . . . . 74.51 109.825 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.52 ' SG ' HD13 ' A' ' 100' ' ' ILE . 84.2 m -64.41 -37.61 88.13 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.007 -0.542 . . . . 74.33 110.404 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.46 ' HB2' HD13 ' A' ' 20' ' ' ILE . 6.5 ptm180 -72.41 -34.39 67.84 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.814 0.446 . . . . 55.03 110.124 178.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -58.85 -47.16 85.85 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.147 0.979 . . . . 65.42 110.52 171.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -78.49 -15.37 58.69 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.967 -1.015 . . . . 63.43 110.409 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.49 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 71.8 t60 -82.28 -38.83 23.82 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.662 0.385 . . . . 61.21 110.478 176.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 19.6 mm100 -73.91 -30.94 62.86 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.688 -0.687 . . . . 72.14 110.416 178.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 . . . . . 0 CA--C 1.547 0.842 0 N-CA-C 108.129 -1.063 . . . . 72.41 108.129 174.158 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.9 mm . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.404 -0.591 . . . . 65.12 109.404 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -61.56 142.48 94.95 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.201 1.934 . . . . 72.4 111.319 170.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.0 -32.47 58.17 Favored 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 123.4 2.733 . . . . 65.43 113.191 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -52.4 -41.25 63.01 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.943 0.897 . . . . 61.54 112.041 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -36.67 84.65 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.978 0.911 . . . . 73.32 110.525 -176.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -76.37 -34.96 58.91 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.557 -0.747 . . . . 75.32 110.544 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -70.67 -27.15 63.81 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.24 -0.436 . . . . 61.41 110.802 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -65.12 -39.47 93.13 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.354 1.061 . . . . 60.52 109.958 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 66.1 m -69.91 -20.82 63.34 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.377 -1.283 . . . . 75.22 112.06 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -76.06 82.88 2.91 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.19 0.596 . . . . 73.22 109.473 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.59 167.15 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.754 1.222 . . . . 60.11 109.105 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -70.74 157.84 37.33 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 109.197 -0.668 . . . . 73.51 109.197 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -57.27 -50.68 86.79 Favored Pre-proline 0 CA--C 1.566 1.576 0 N-CA-C 113.144 0.794 . . . . 60.3 113.144 -171.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.48 -37.07 31.51 Favored 'Trans proline' 0 C--N 1.388 2.639 0 C-N-CA 121.503 1.468 . . . . 72.53 112.421 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 28.6 m -60.21 -32.76 71.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.4 1.08 . . . . 62.14 111.599 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.48 -48.75 74.02 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.089 0.955 . . . . 71.23 109.402 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -66.83 -29.85 69.88 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.605 -0.725 . . . . 71.13 111.274 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.403 ' HB3' HG13 ' A' ' 50' ' ' ILE . 19.3 mm-40 -63.39 -38.51 91.41 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.147 0.579 . . . . 73.41 111.254 173.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.589 HD23 HG23 ' A' ' 50' ' ' ILE . 96.1 mt -64.94 -37.36 87.4 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.242 0.617 . . . . 74.14 110.621 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.3 mt -65.79 -45.07 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.553 0.741 . . . . 65.12 110.221 176.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.85 -39.45 90.79 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.879 0.871 . . . . 63.01 111.173 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.85 -34.74 66.97 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.534 0.734 . . . . 73.33 110.956 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.613 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -73.67 -28.83 61.96 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.53 0.732 . . . . 71.54 111.831 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -78.95 -38.9 35.97 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.432 0.693 . . . . 60.13 109.997 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -63.65 -41.3 98.23 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.007 0.923 . . . . 71.1 111.088 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.452 HD22 HG13 ' A' ' 27' ' ' ILE . 83.3 mt -94.26 -9.22 36.81 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.609 0.763 . . . . 73.01 111.204 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.511 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 25.0 t0 57.21 33.8 23.86 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.555 1.542 . . . . 53.04 112.03 176.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.615 HG12 ' HA ' ' A' ' 24' ' ' SER . 47.6 mt -81.68 105.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.526 -0.761 . . . . 73.3 109.186 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -61.12 -49.85 86.78 Favored Pre-proline 0 CA--C 1.566 1.573 0 CA-C-O 117.901 -1.047 . . . . 54.13 112.537 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -57.35 -39.15 91.77 Favored 'Trans proline' 0 C--N 1.408 3.673 0 C-N-CA 121.953 1.769 . . . . 73.23 113.485 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.613 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -68.87 -52.42 29.91 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.04 -0.726 . . . . 72.32 109.04 -179.56 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.564 HD21 HD21 ' B' ' 104' ' ' LEU . 41.9 tp -61.21 -43.94 98.08 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.632 -1.167 . . . . 61.51 111.306 -173.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.43 -49.43 66.77 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.98 0.8 . . . . 70.23 110.692 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.2 t -58.01 -44.26 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.43 0.692 . . . . 74.5 111.202 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.5 m -74.08 -31.02 62.65 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.483 0.713 . . . . 74.11 111.958 -177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 88.8 m -75.85 -29.7 58.66 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.945 0.498 . . . . 65.14 110.491 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -28.7 60.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.362 0.665 . . . . 74.35 110.177 175.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -56.88 -53.62 55.84 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.384 0.673 . . . . 72.21 111.101 174.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.4 m -66.68 -35.47 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 116.441 -0.345 . . . . 63.12 110.797 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.452 ' HB2' HD11 ' B' ' 93' ' ' LEU . . . -61.85 -36.19 80.49 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 124.056 0.847 . . . . 43.51 111.641 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -72.61 -43.0 63.87 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.298 0.639 . . . . 74.01 110.749 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 63.3 mtm -64.12 -38.44 91.05 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.313 0.645 . . . . 74.43 111.848 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' B' ' 86' ' ' PRO . 24.8 pt -83.06 -28.93 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 122.982 0.513 . . . . 72.05 111.217 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -80.27 97.06 6.81 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.779 -0.822 . . . . 73.23 108.779 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.699 0 CA-C-N 115.325 -0.852 . . . . 64.3 113.442 173.229 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 120.7 0.286 . . . . 73.12 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.91 116.6 12.5 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.779 -0.646 . . . . 52.12 109.707 171.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.58 125.31 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.477 0.656 . . . . 74.34 109.44 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.618 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 89.7 mttt -93.57 111.47 23.15 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.637 -0.875 . . . . 71.41 108.637 -175.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.2 mt -111.48 100.34 8.93 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.522 0.729 . . . . 73.01 109.298 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -80.57 128.18 33.3 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.613 -0.514 . . . . 63.04 109.613 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.9 p -70.57 179.64 2.47 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.064 0.545 . . . . 70.03 111.123 172.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.5 p -67.12 -20.29 65.75 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.033 0.533 . . . . 51.15 110.416 169.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 26.9 t70 -90.34 8.91 31.07 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 124.336 1.054 . . . . 73.22 110.714 174.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 69.23 11.04 8.09 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 125.372 1.469 . . . . 74.4 113.698 168.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -77.58 123.17 26.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.785 0.434 . . . . 71.52 110.111 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.428 HG13 ' HB3' ' B' ' 5' ' ' LYS . 59.7 t -79.91 101.62 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.263 1.025 . . . . 75.5 109.935 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -92.56 88.74 6.44 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.184 0.516 . . . . 74.31 109.842 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.557 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 32.2 mt-10 -72.76 112.38 8.76 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.211 -1.033 . . . . 71.12 108.211 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.0 tt -140.38 156.37 23.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 109.511 -0.551 . . . . 63.42 109.511 -176.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.96 133.86 55.92 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.293 0.637 . . . . 62.32 110.19 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -60.58 -31.25 70.4 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.266 1.026 . . . . 50.43 111.648 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -56.8 -36.09 69.51 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.006 0.923 . . . . 71.14 112.005 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.438 HD13 ' HB2' ' B' ' 59' ' ' ARG . 37.1 mt -79.54 -35.14 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.771 0.828 . . . . 74.45 110.077 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.56 -26.82 68.58 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.604 -0.725 . . . . 73.13 111.334 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 76.7 m -74.63 -28.97 61.11 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.665 0.786 . . . . 54.44 111.383 174.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 85.6 mtp -63.72 -37.07 85.98 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.093 0.473 . . . . 70.04 110.271 174.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.595 ' HA ' HG12 ' B' ' 100' ' ' ILE . 42.5 t -70.53 116.69 11.15 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.996 -1.002 . . . . 74.35 108.484 170.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 89.1 t -61.05 -52.32 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.39 0.676 . . . . 74.24 111.206 -174.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 84.9 m -64.23 -44.57 91.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.352 0.661 . . . . 55.35 112.241 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.471 HG13 HD22 ' B' ' 98' ' ' LEU . 70.7 mt -64.84 -42.2 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 109.894 -0.41 . . . . 61.34 109.894 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' B' ' 22' ' ' CYS . 20.4 ttpp -56.15 -45.19 79.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.923 0.889 . . . . 75.54 110.475 174.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.29 -34.37 77.54 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.916 0.76 . . . . 64.02 110.752 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 73.6 mtm -72.8 -34.38 66.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.041 0.536 . . . . 71.21 110.988 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 27' ' ' ILE . 77.9 mt -68.59 -37.1 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.319 0.648 . . . . 75.43 109.474 174.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -76.16 -26.27 56.08 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.557 0.743 . . . . 54.33 111.428 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -78.68 -46.35 19.31 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.758 0.823 . . . . 73.3 111.101 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 67.3 mt -87.96 -41.36 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.272 -0.877 . . . . 72.45 109.935 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.96 -151.17 18.34 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 110.761 -0.936 . . . . 64.53 110.761 -174.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -80.91 74.31 7.89 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.536 0.684 . . . . 74.43 109.382 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 28.6 p -75.94 109.86 9.92 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.009 -0.996 . . . . 53.34 110.009 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.93 -30.55 65.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.974 -0.75 . . . . 70.32 108.974 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 37.6 m -60.62 135.95 92.35 Favored Pre-proline 0 CA--C 1.544 0.712 0 O-C-N 124.389 1.056 . . . . 74.11 110.585 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.618 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 58.7 Cg_endo -67.75 143.75 62.84 Favored 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 122.853 2.369 . . . . 74.21 111.522 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mm -104.66 101.81 30.71 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 109.612 -0.514 . . . . 72.04 109.612 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.54 136.83 11.22 Favored 'Trans proline' 0 C--N 1.374 1.874 0 C-N-CA 122.326 2.018 . . . . 64.45 112.068 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 63.6 mt -104.07 94.46 6.66 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 124.498 1.119 . . . . 74.11 108.231 172.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -82.06 42.34 1.3 Allowed 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 123.463 2.775 . . . . 62.41 114.16 -171.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -142.54 -56.84 0.44 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.328 0.651 . . . . 75.33 109.878 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.61 126.91 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-N 115.982 -0.554 . . . . 73.14 110.062 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.9 p -74.45 169.9 16.77 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.805 0.842 . . . . 60.4 111.279 -176.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 31.0 p -63.02 -47.79 81.57 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.756 0.823 . . . . 55.51 112.216 -174.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 66.1 p -57.2 -45.33 83.87 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 124.159 0.912 . . . . 72.4 111.145 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.575 HG23 HD23 ' B' ' 91' ' ' LEU . 47.3 mm -75.43 -46.47 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.579 -0.737 . . . . 73.24 110.797 -174.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.35 -36.86 85.1 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.625 0.578 . . . . 62.31 110.746 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.73 -49.81 76.25 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.325 0.65 . . . . 60.34 109.858 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' B' ' 49' ' ' THR . 28.1 mtpp -64.62 -46.47 82.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.934 -1.03 . . . . 62.53 111.979 -176.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.536 HG13 ' HG ' ' B' ' 103' ' ' LEU . 69.7 t -61.13 -45.28 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.63 0.772 . . . . 62.4 110.012 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 76.1 mt -69.61 -31.88 70.27 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.775 -0.648 . . . . 73.43 111.529 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -75.61 -32.66 60.37 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.479 0.712 . . . . 75.04 111.375 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -75.14 -39.77 60.22 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.898 -0.408 . . . . 71.33 109.898 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.507 ' SG ' HD13 ' B' ' 100' ' ' ILE . 84.7 m -64.65 -37.48 87.74 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.975 -0.557 . . . . 73.31 110.541 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.438 ' HB2' HD13 ' B' ' 20' ' ' ILE . 6.5 ptm180 -72.5 -34.39 67.62 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.803 0.441 . . . . 70.05 110.278 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -58.79 -47.86 83.28 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.266 1.027 . . . . 61.44 110.433 171.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -77.74 -15.63 58.99 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.238 -0.892 . . . . 64.11 110.48 -177.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . 0.478 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 70.7 t60 -82.22 -39.25 23.35 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.614 0.366 . . . . 64.31 110.496 176.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 17.2 mm100 -73.3 -31.24 63.92 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.782 -0.645 . . . . 73.13 110.395 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 . . . . . 0 C--O 1.244 0.783 0 N-CA-C 108.22 -1.03 . . . . 62.54 108.22 173.781 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.7 mm . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 109.043 -0.725 . . . . 70.12 109.043 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.95 141.85 90.86 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.322 2.015 . . . . 51.1 111.313 169.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.41 -32.03 50.43 Favored 'Trans proline' 0 C--N 1.382 2.332 0 C-N-CA 123.259 2.639 . . . . 74.4 113.409 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -52.58 -41.65 63.8 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.715 0.806 . . . . 62.45 112.092 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.6 -37.22 85.38 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.027 0.931 . . . . 54.31 110.692 -177.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -76.27 -35.29 58.98 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.287 -0.87 . . . . 71.34 110.912 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.09 -26.39 63.02 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.808 -0.633 . . . . 74.3 110.785 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -65.28 -39.65 92.84 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.244 1.018 . . . . 75.11 109.942 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.0 m -70.53 -18.98 62.93 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 114.286 -1.325 . . . . 73.4 112.261 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -77.28 82.22 3.76 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.33 0.652 . . . . 72.43 109.693 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 m -135.87 166.96 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.717 1.207 . . . . 44.54 109.093 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -70.38 157.69 37.33 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 109.284 -0.635 . . . . 62.3 109.284 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -57.09 -50.49 87.93 Favored Pre-proline 0 CA--C 1.566 1.592 0 C-N-CA 123.782 0.833 . . . . 44.25 113.036 -171.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.571 ' HA ' HD12 ' A' ' 115' ' ' ILE . 40.4 Cg_endo -65.49 -36.75 32.88 Favored 'Trans proline' 0 C--N 1.388 2.65 0 C-N-CA 121.48 1.453 . . . . 65.11 112.872 173.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 28.3 m -61.01 -31.86 71.46 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.39 1.076 . . . . 72.11 111.715 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.89 -49.05 72.0 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.024 0.93 . . . . 73.42 109.417 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.414 ' CD2' HD13 ' A' ' 115' ' ' ILE . 52.1 m-85 -67.22 -29.65 69.36 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.591 -0.732 . . . . 72.34 111.343 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.8 -38.61 91.36 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.274 0.63 . . . . 74.24 111.288 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.575 HD23 HG23 ' B' ' 50' ' ' ILE . 96.0 mt -65.06 -37.19 86.75 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.144 0.578 . . . . 72.43 110.637 175.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.4 HD12 ' HD1' ' B' ' 89' ' ' PHE . 62.7 mt -65.79 -45.0 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.583 0.753 . . . . 73.13 110.156 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 112' ' ' ALA . 96.1 mt -65.22 -40.63 94.38 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.926 0.89 . . . . 65.4 111.275 -178.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.19 -34.76 68.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.519 0.728 . . . . 75.53 110.982 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.599 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -73.71 -28.4 61.71 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.478 0.711 . . . . 74.13 111.664 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -79.14 -39.89 32.38 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.493 0.717 . . . . 72.32 109.933 174.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -63.11 -40.92 99.04 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.982 0.913 . . . . 73.22 111.106 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.471 HD22 HG13 ' B' ' 27' ' ' ILE . 83.3 mt -94.6 -8.46 38.03 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.614 0.765 . . . . 63.25 111.195 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.519 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 25.2 t0 56.34 34.24 23.77 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.478 1.511 . . . . 73.13 111.958 177.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.595 HG12 ' HA ' ' B' ' 24' ' ' SER . 46.6 mt -82.0 105.98 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 115.462 -0.79 . . . . 73.34 109.21 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -62.43 -48.99 85.72 Favored Pre-proline 0 CA--C 1.563 1.455 0 CA-C-O 117.88 -1.057 . . . . 72.12 112.446 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.15 -38.57 95.11 Favored 'Trans proline' 0 C--N 1.404 3.467 0 C-N-CA 121.894 1.73 . . . . 52.15 113.528 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.599 HD12 ' HB2' ' B' ' 95' ' ' ALA . 0.7 OUTLIER -69.73 -52.4 25.78 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.105 -0.702 . . . . 72.5 109.105 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.564 HD21 HD21 ' A' ' 104' ' ' LEU . 42.3 tp -61.24 -44.68 96.87 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.644 -1.162 . . . . 74.41 111.327 -173.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.05 -48.76 69.98 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.177 0.923 . . . . 62.2 110.433 -175.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.56 -44.55 89.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.407 0.683 . . . . 73.34 111.245 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -73.62 -30.85 63.22 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.542 0.737 . . . . 74.23 111.89 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.5 m -76.06 -29.37 57.98 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.121 0.568 . . . . 64.34 110.707 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.61 -28.57 58.91 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.403 0.681 . . . . 63.12 110.368 175.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 89.3 m -56.99 -53.86 53.21 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.387 0.675 . . . . 74.01 111.035 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.6 m -66.67 -35.49 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 O-C-N 123.178 0.299 . . . . 73.43 110.761 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.02 -35.6 79.03 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.9 0.75 . . . . 45.52 111.527 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -72.56 -43.79 62.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.194 0.598 . . . . 63.34 110.639 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 62.9 mtm -63.14 -38.94 93.15 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.089 0.556 . . . . 74.42 111.654 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 24.4 pt -82.67 -28.79 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 116.095 -0.502 . . . . 61.05 111.278 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 109.414 -0.587 . . . . 75.44 109.414 178.123 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 110.836 -0.061 . . . . 61.22 110.836 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.15 131.1 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.738 -0.838 . . . . 74.4 108.738 167.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.549 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 51.1 mttm -83.2 120.07 25.35 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.534 -0.913 . . . . 72.21 108.534 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.9 mt -120.79 102.81 8.62 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.126 0.571 . . . . 72.43 109.632 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -80.86 154.41 27.11 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.427 0.632 . . . . 64.31 110.272 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.3 p -91.98 -174.6 3.84 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-N 114.948 -1.024 . . . . 65.2 111.024 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 p -62.5 -32.9 73.89 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 115.487 -0.779 . . . . 75.11 109.906 166.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.14 -2.44 31.07 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.41 1.084 . . . . 72.41 111.952 173.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 66.55 12.48 8.76 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 125.199 1.4 . . . . 53.43 113.124 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -74.07 128.54 35.79 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.649 -0.5 . . . . 72.14 109.649 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.5 t -75.84 116.6 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.195 0.998 . . . . 72.44 110.678 -174.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -115.07 88.12 2.8 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.833 -0.803 . . . . 75.4 108.833 174.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.549 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 97.9 mt-10 -66.66 127.71 33.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.089 -0.96 . . . . 74.55 109.135 172.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.6 HD12 ' HB3' ' A' ' 55' ' ' LEU . 9.2 tt -142.48 148.17 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.348 -0.982 . . . . 70.54 108.348 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.71 132.05 52.71 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.855 -0.424 . . . . 73.24 109.855 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.63 -41.5 95.02 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.454 1.102 . . . . 73.45 111.441 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -61.75 -29.94 70.45 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.46 1.104 . . . . 75.32 112.014 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.552 HD13 ' HA ' ' A' ' 59' ' ' ARG . 43.3 mt -76.08 -41.46 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 109.467 -0.568 . . . . 74.01 109.467 174.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -16.96 62.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.939 0.896 . . . . 73.33 112.194 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.6 m -72.75 -22.58 60.83 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.291 0.637 . . . . 72.44 111.96 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.7 mtm -64.47 -29.33 70.37 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.522 0.677 . . . . 73.41 110.323 174.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t -71.17 111.97 6.94 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.06 -1.089 . . . . 63.21 108.06 164.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 99' ' ' ASP . 45.8 t -66.31 -35.37 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.389 0.431 . . . . 62.22 110.359 -176.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.7 m -62.58 -49.25 76.0 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.059 0.544 . . . . 52.12 111.504 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.16 -37.34 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 122.968 0.507 . . . . 62.41 109.838 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -61.0 -41.54 96.73 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.387 0.675 . . . . 75.23 110.2 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.94 -31.01 69.59 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.2 0.6 . . . . 64.31 110.987 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.7 mtt -66.92 -40.73 87.73 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.23 0.612 . . . . 65.05 109.918 173.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.21 -38.17 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 123.85 0.86 . . . . 72.52 110.477 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.32 -38.46 60.22 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.946 0.498 . . . . 73.01 111.659 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.9 -46.46 21.24 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.432 0.693 . . . . 74.33 111.556 -174.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -81.91 -19.31 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.524 0.73 . . . . 71.32 110.63 -176.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.43 26.83 29.23 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 116.407 -0.36 . . . . 73.0 112.239 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 76.27 127.5 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.283 1.833 . . . . 54.3 111.729 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.4 m -116.15 114.17 24.11 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.807 0.843 . . . . 64.05 109.669 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.18 -29.91 61.98 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.36 -0.978 . . . . 60.04 108.36 167.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 m -59.29 152.77 51.63 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.262 1.425 . . . . 70.24 111.796 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -67.15 142.64 61.87 Favored 'Trans proline' 0 C--N 1.373 1.845 0 C-N-CA 122.695 2.264 . . . . 75.31 112.492 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mm -123.56 117.53 27.7 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 124.194 0.998 . . . . 74.25 108.892 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -80.87 141.73 13.55 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.211 1.941 . . . . 61.32 111.561 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.466 HD23 HD21 ' A' ' 98' ' ' LEU . 6.9 mp -110.31 92.28 13.25 Favored Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 107.71 -1.219 . . . . 73.12 107.71 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.77 70.69 7.12 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.954 2.436 . . . . 64.52 112.068 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -169.12 -57.24 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.64 0.776 . . . . 72.02 109.812 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.402 HG11 HD13 ' A' ' 51' ' ' LEU . 7.4 p -88.17 128.64 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 CA-C-N 115.22 -0.9 . . . . 75.51 110.081 -174.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.7 p -71.81 165.79 23.37 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.515 0.726 . . . . 73.13 110.87 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.8 p -68.55 -39.44 81.1 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.594 0.59 . . . . 71.12 112.594 -174.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -64.16 -40.59 96.45 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.989 0.516 . . . . 74.33 110.932 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 54' ' ' VAL . 51.7 mm -74.73 -46.81 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.961 -0.563 . . . . 74.53 109.897 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.402 HD13 HG11 ' A' ' 46' ' ' VAL . 44.9 tp -64.23 -35.09 79.68 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.522 0.729 . . . . 74.43 111.239 -175.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -56.21 -50.15 72.07 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.769 0.668 . . . . 60.31 109.577 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -69.86 -34.55 73.75 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.492 1.12 . . . . 62.15 112.081 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 50' ' ' ILE . 55.6 t -65.94 -48.04 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.526 0.73 . . . . 75.45 109.728 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.6 ' HB3' HD12 ' A' ' 16' ' ' ILE . 76.1 mt -73.24 -28.28 62.06 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.472 -0.785 . . . . 73.12 111.209 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.88 -35.15 64.68 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.832 0.853 . . . . 71.02 111.225 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -69.79 -43.35 72.3 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.177 -0.675 . . . . 61.41 109.177 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' A' ' 100' ' ' ILE . 85.4 m -63.02 -41.91 99.67 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.376 -0.829 . . . . 64.14 110.521 175.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.552 ' HA ' HD13 ' A' ' 20' ' ' ILE . 45.8 ttp85 -60.0 -46.53 89.19 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.727 0.811 . . . . 72.22 109.7 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -59.53 -47.67 84.62 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 114.348 -1.296 . . . . 54.22 111.118 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -72.55 -31.22 65.11 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.583 0.552 . . . . 61.21 111.701 -171.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -80.5 -45.75 16.98 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.986 0.515 . . . . 75.44 110.745 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -77.35 -32.63 55.19 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.492 0.717 . . . . 70.15 111.084 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 . . . . . 0 CA--C 1.551 1.003 0 C-N-CA 124.276 1.031 . . . . 70.42 108.323 176.609 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.6 mm . . . . . 0 CA--C 1.552 1.054 0 N-CA-C 109.605 -0.517 . . . . 73.34 109.605 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.66 129.33 33.1 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.632 2.221 . . . . 75.31 112.115 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -58.32 -18.78 39.72 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 123.163 2.575 . . . . 74.34 113.004 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.16 -54.76 36.46 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.984 0.913 . . . . 73.01 110.096 173.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.88 -29.27 64.17 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.963 0.905 . . . . 75.25 111.29 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -74.7 -36.55 62.73 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.923 -0.581 . . . . 71.21 110.588 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.594 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 10.7 m-20 -77.81 -22.99 49.21 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.107 -0.497 . . . . 62.3 111.188 173.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -61.13 -39.89 91.75 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 109.775 -0.454 . . . . 73.05 109.775 168.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 76.5 m -75.85 0.39 18.33 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.917 0.887 . . . . 34.41 112.556 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.594 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 34.2 mmtp -76.14 85.21 2.99 Favored 'General case' 0 C--N 1.362 1.139 0 N-CA-C 108.865 -0.791 . . . . 61.44 108.865 170.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.51 ' HB ' ' HB ' ' A' ' 87' ' ' THR . 13.9 m -135.73 151.99 30.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 C-N-CA 124.467 1.107 . . . . 63.13 109.091 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -75.39 170.58 15.82 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.38 -0.6 . . . . 75.33 109.38 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.08 -50.78 85.41 Favored Pre-proline 0 CA--C 1.563 1.479 0 CA-C-O 118.245 -0.883 . . . . 72.1 113.202 -175.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.411 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 36.5 Cg_endo -62.56 -34.44 75.11 Favored 'Trans proline' 0 C--N 1.389 2.66 0 CA-C-N 121.296 1.499 . . . . 71.25 112.362 174.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.51 ' HB ' ' HB ' ' A' ' 83' ' ' VAL . 4.1 m -68.85 -30.33 68.83 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 124.134 0.974 . . . . 73.41 111.295 -175.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.48 ' HG ' HG23 ' A' ' 83' ' ' VAL . 13.0 mt -54.96 -51.93 64.62 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.139 0.976 . . . . 55.25 109.891 170.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -69.0 -30.37 68.75 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.034 -0.984 . . . . 75.42 111.694 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 35.2 mm-40 -65.62 -36.22 83.08 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.765 0.426 . . . . 75.25 111.86 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.51 HD11 HG11 ' A' ' 83' ' ' VAL . 90.4 mt -68.89 -36.3 77.89 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.881 0.472 . . . . 74.31 110.641 174.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.73 -44.86 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.668 0.787 . . . . 61.31 110.162 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.5 mt -68.51 -38.27 80.77 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.843 0.857 . . . . 64.45 111.206 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.58 -38.94 70.86 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.395 0.678 . . . . 71.02 111.324 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.52 -30.17 65.62 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.379 0.672 . . . . 63.44 111.612 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.446 HD21 ' HA ' ' B' ' 105' ' ' ASP . 25.3 t30 -72.79 -44.38 61.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.769 0.827 . . . . 73.33 109.891 173.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -64.05 -35.48 80.88 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.984 0.913 . . . . 64.43 111.362 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.466 HD21 HD23 ' A' ' 43' ' ' LEU . 86.2 mt -103.5 1.95 33.0 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.177 0.591 . . . . 74.23 112.555 -177.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.416 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 3.9 m-20 61.3 18.47 9.25 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.562 0.745 . . . . 75.43 112.745 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.643 HD13 ' SG ' ' A' ' 58' ' ' CYS . 47.9 mt -80.74 89.01 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.484 0 N-CA-C 108.531 -0.915 . . . . 70.22 108.531 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 104' ' ' LEU . 42.6 mtpt -69.19 -33.2 3.81 Favored Pre-proline 0 CA--C 1.554 1.128 0 CA-C-O 117.613 -1.184 . . . . 75.14 113.422 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -48.06 -39.07 33.14 Favored 'Trans proline' 0 C--N 1.397 3.092 0 C-N-CA 121.976 1.784 . . . . 72.34 112.993 166.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 33.0 tp -81.26 -48.77 11.59 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.206 0.602 . . . . 75.11 111.069 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 101' ' ' LYS . 54.9 tp -56.88 -48.97 76.92 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.28 1.032 . . . . 70.13 111.278 -173.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 27.8 t70 -62.04 -50.69 70.99 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 114.551 -1.204 . . . . 75.05 110.643 -176.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.55 -45.45 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 O-C-N 124.214 0.946 . . . . 75.44 112.115 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 91' ' ' LEU . 58.8 m -66.38 -46.78 75.5 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.553 0.341 . . . . 41.23 110.959 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.3 m -66.87 -29.41 69.31 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.705 -0.679 . . . . 65.24 111.191 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 105' ' ' ASP . 0.8 OUTLIER -72.5 -46.81 52.94 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 109.173 -0.677 . . . . 64.42 109.173 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.7 m -61.44 -50.04 74.38 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 124.157 0.911 . . . . 74.11 111.302 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.52 -33.31 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 123.392 0.433 . . . . 73.23 110.767 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.84 -35.33 67.24 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 123.404 0.682 . . . . 73.24 111.125 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 116' ' ' ARG . 90.1 m-20 -72.67 -24.39 61.02 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.369 0.667 . . . . 64.21 111.478 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 46.4 mtm -63.88 -39.24 93.72 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.646 0.378 . . . . 72.41 110.639 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 31.9 pt -92.79 -22.72 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.304 0.642 . . . . 60.15 111.221 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.469 ' HB3' ' HA ' ' A' ' 113' ' ' ASN . 60.6 ttt180 -74.88 -48.25 25.8 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.252 1.021 . . . . 73.1 110.446 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 N-CA-C 110.687 -0.965 . . . . 38.08 110.687 -176.638 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.588 -0.152 . . . . 75.3 110.588 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 69.5 mt -91.2 120.61 32.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.457 0.703 . . . . 61.43 110.708 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 m -90.77 132.0 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 108.92 -0.77 . . . . 62.41 108.92 166.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.54 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 50.9 mttm -83.31 119.63 24.83 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 108.549 -0.908 . . . . 71.32 108.549 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -120.69 103.29 9.0 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.171 0.589 . . . . 72.33 109.705 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -81.96 154.5 25.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.367 0.604 . . . . 62.11 110.346 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.9 p -92.03 -174.65 3.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.946 -1.025 . . . . 64.03 110.967 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.7 p -64.05 -31.07 72.13 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 115.589 -0.732 . . . . 73.33 109.834 167.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.405 ' HB2' ' HB3' ' B' ' 48' ' ' SER . 3.5 m-20 -77.33 -2.65 36.01 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.638 1.175 . . . . 73.1 111.652 173.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 66.94 12.23 8.83 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 125.276 1.43 . . . . 74.51 113.274 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -73.84 128.48 35.64 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.51 -0.552 . . . . 75.52 109.51 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.76 117.98 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.257 1.023 . . . . 64.43 110.602 -175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -116.67 87.9 2.79 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.923 -0.769 . . . . 72.42 108.923 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.54 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 98.2 mt-10 -67.51 128.16 35.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.913 -1.039 . . . . 75.22 108.873 173.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' B' ' 55' ' ' LEU . 9.1 tt -143.04 149.04 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.238 -1.023 . . . . 74.24 108.238 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.13 132.83 55.2 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.91 -0.404 . . . . 70.42 109.91 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.85 -41.58 96.13 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.348 1.059 . . . . 73.44 111.392 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.43 -30.45 70.58 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.069 0.856 . . . . 70.14 112.076 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.563 HD13 ' HA ' ' B' ' 59' ' ' ARG . 43.7 mt -75.63 -40.96 41.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 CA-C-O 121.205 0.526 . . . . 74.42 109.656 174.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.411 ' HB1' HG21 ' B' ' 27' ' ' ILE . . . -71.77 -16.52 62.2 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.856 0.863 . . . . 52.24 112.263 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -73.78 -21.96 60.0 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.457 0.703 . . . . 44.24 112.275 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 20.6 mtm -64.77 -29.33 70.3 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.566 0.698 . . . . 62.31 110.161 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.7 t -71.76 110.87 6.59 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.731 -1.122 . . . . 75.44 108.029 164.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.02 -34.67 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 123.346 0.404 . . . . 54.3 110.528 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 35.3 m -62.99 -49.36 74.99 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.024 0.53 . . . . 73.12 111.439 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.411 HG21 ' HB1' ' B' ' 21' ' ' ALA . 89.4 mt -64.96 -37.46 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.146 0.578 . . . . 63.34 109.836 178.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -61.17 -41.57 97.03 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.39 0.676 . . . . 74.14 110.14 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.12 -30.45 68.72 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.285 0.634 . . . . 75.25 111.03 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 67.7 mtt -67.09 -40.83 87.04 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.167 0.587 . . . . 64.13 109.823 173.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.2 -38.1 81.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.855 0.862 . . . . 73.32 110.632 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.94 -36.22 59.43 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.484 0.314 . . . . 74.15 111.704 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -78.84 -46.42 18.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.083 0.553 . . . . 72.23 111.62 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 57.5 mt -82.69 -18.42 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.667 0.787 . . . . 71.43 110.309 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.54 28.13 30.66 Favored Glycine 0 C--N 1.347 1.17 0 CA-C-N 116.156 -0.475 . . . . 63.43 111.986 -176.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 76.07 128.21 0.04 OUTLIER 'General case' 0 C--N 1.353 0.75 0 C-N-CA 126.433 1.893 . . . . 63.34 111.894 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 25.2 m -116.31 113.58 23.15 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 123.989 0.916 . . . . 74.2 109.621 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -73.35 -30.3 63.23 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 108.41 -0.959 . . . . 73.35 108.41 167.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.4 m -59.3 153.16 49.47 Favored Pre-proline 0 CA--C 1.557 1.231 0 CA-C-N 114.021 -1.445 . . . . 72.43 111.914 173.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.98 141.43 53.29 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.68 2.254 . . . . 73.41 113.03 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 48.2 mm -122.37 117.58 29.15 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.008 0.923 . . . . 61.13 108.85 -177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -81.15 141.46 12.97 Favored 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.173 1.915 . . . . 61.21 111.563 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.475 HD23 HD21 ' B' ' 98' ' ' LEU . 6.8 mp -109.87 92.7 13.1 Favored Pre-proline 0 CA--C 1.552 1.037 0 N-CA-C 107.641 -1.244 . . . . 75.13 107.641 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -82.15 68.14 7.92 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 123.038 2.492 . . . . 71.44 112.334 -174.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -166.91 -57.38 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.48 -0.782 . . . . 70.21 109.687 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.412 HG11 HD13 ' B' ' 51' ' ' LEU . 7.5 p -87.62 128.72 39.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-N 115.339 -0.846 . . . . 73.13 110.005 -174.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 72.0 p -71.67 166.55 21.69 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.663 0.785 . . . . 74.05 110.964 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' B' ' 10' ' ' ASP . 63.3 p -69.47 -38.31 77.65 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.729 0.641 . . . . 43.34 112.729 -173.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 23.4 p -64.54 -42.01 95.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.234 0.614 . . . . 74.42 110.777 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.445 ' O ' HG23 ' B' ' 54' ' ' VAL . 51.9 mm -74.07 -46.62 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 115.883 -0.598 . . . . 72.32 109.95 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.412 HD13 HG11 ' B' ' 46' ' ' VAL . 44.6 tp -64.48 -34.92 79.34 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.429 0.692 . . . . 74.44 111.288 -175.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -56.58 -49.24 75.44 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 123.53 0.519 . . . . 75.53 109.649 173.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -70.72 -34.31 71.77 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 124.31 1.006 . . . . 74.25 112.176 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 50' ' ' ILE . 55.7 t -66.01 -47.98 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.677 0.791 . . . . 72.14 109.763 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.599 ' HB3' HD12 ' B' ' 16' ' ' ILE . 76.7 mt -73.51 -28.55 61.96 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.418 -0.81 . . . . 75.52 111.159 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -74.43 -34.55 63.25 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.701 0.8 . . . . 64.13 111.155 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -69.17 -43.72 73.69 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.04 -0.726 . . . . 73.03 109.04 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.651 ' SG ' HD13 ' B' ' 100' ' ' ILE . 85.7 m -62.98 -41.98 99.71 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 115.32 -0.854 . . . . 65.33 110.555 175.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.563 ' HA ' HD13 ' B' ' 20' ' ' ILE . 44.2 ttp85 -59.55 -47.0 87.23 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.707 0.803 . . . . 74.12 109.837 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -58.72 -47.66 83.81 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 114.355 -1.293 . . . . 72.3 111.229 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -73.1 -30.57 63.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.076 0.551 . . . . 64.24 111.911 -171.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -80.69 -46.32 15.75 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.768 0.427 . . . . 75.11 110.679 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -76.96 -33.45 57.65 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.553 -0.749 . . . . 64.31 110.86 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 . . . . . 0 CA--C 1.551 1.016 0 C-N-CA 124.198 0.999 . . . . 72.21 108.309 176.139 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.8 mm . . . . . 0 CA--C 1.553 1.068 0 N-CA-C 109.616 -0.513 . . . . 63.13 109.616 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' B' ' 75' ' ' PRO . 39.4 Cg_exo -58.13 129.2 31.88 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 122.616 2.211 . . . . 71.34 112.036 -177.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 74' ' ' PRO . 39.7 Cg_exo -58.24 -19.2 41.14 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 123.429 2.752 . . . . 73.44 113.18 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -61.43 -54.48 43.02 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.214 1.006 . . . . 73.23 110.074 173.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.51 -29.46 63.63 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.026 0.931 . . . . 75.22 111.399 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -74.77 -36.7 62.55 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.877 -0.601 . . . . 75.34 110.456 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.599 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 11.5 m-20 -77.37 -23.24 50.84 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.006 -0.543 . . . . 60.22 111.249 173.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.4 -40.44 94.37 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 109.683 -0.488 . . . . 74.3 109.683 168.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.43 0.75 15.95 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.013 0.925 . . . . 51.34 112.52 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.599 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 34.3 mmtp -75.74 86.69 2.76 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 108.638 -0.875 . . . . 73.51 108.638 170.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.521 HG11 HD11 ' B' ' 91' ' ' LEU . 14.5 m -136.61 152.31 29.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 C-N-CA 124.416 1.086 . . . . 70.21 108.777 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -75.67 169.97 17.09 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.175 -0.676 . . . . 74.12 109.175 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -56.26 -50.82 85.35 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 118.269 -0.872 . . . . 73.02 113.334 -175.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -63.19 -33.36 72.37 Favored 'Trans proline' 0 C--N 1.389 2.663 0 C-N-CA 121.595 1.53 . . . . 73.23 112.14 174.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . 0.478 ' HB ' ' HB ' ' B' ' 83' ' ' VAL . 4.2 m -69.4 -30.37 68.32 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.236 1.014 . . . . 53.52 111.498 -175.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.49 ' HG ' HG23 ' B' ' 83' ' ' VAL . 13.3 mt -54.39 -51.96 63.2 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.177 0.991 . . . . 75.34 109.974 170.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -68.91 -30.35 68.81 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.079 -0.964 . . . . 75.41 111.677 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -65.07 -36.41 84.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.842 0.457 . . . . 70.45 111.797 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.521 HD11 HG11 ' B' ' 83' ' ' VAL . 90.6 mt -69.21 -36.4 77.22 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.911 0.484 . . . . 74.35 110.608 175.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.5 -44.91 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.745 0.818 . . . . 75.14 110.241 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.63 -38.15 80.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.902 0.881 . . . . 73.0 111.141 -178.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.81 71.0 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.434 0.693 . . . . 65.54 111.29 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.86 -29.97 64.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.367 0.667 . . . . 34.33 111.683 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -73.04 -43.38 62.07 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.797 0.839 . . . . 54.1 109.92 173.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -64.02 -37.76 88.62 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.161 0.985 . . . . 70.42 111.174 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.475 HD21 HD23 ' B' ' 43' ' ' LEU . 86.1 mt -102.3 1.63 35.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.313 0.645 . . . . 73.12 112.408 -176.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 61.4 18.44 9.32 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.507 0.723 . . . . 54.21 112.89 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.651 HD13 ' SG ' ' B' ' 58' ' ' CYS . 48.2 mt -80.24 89.3 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.465 0 N-CA-C 108.538 -0.912 . . . . 64.24 108.538 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.462 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 42.0 mtpt -69.36 -33.19 3.7 Favored Pre-proline 0 CA--C 1.553 1.07 0 CA-C-O 117.616 -1.183 . . . . 71.45 113.445 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -47.96 -39.45 32.5 Favored 'Trans proline' 0 C--N 1.397 3.081 0 C-N-CA 121.941 1.76 . . . . 60.34 112.989 166.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 34.0 tp -80.96 -49.08 11.4 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.103 0.561 . . . . 75.21 110.957 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' B' ' 101' ' ' LYS . 54.6 tp -56.6 -48.54 77.19 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.399 1.079 . . . . 64.32 111.27 -173.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' B' ' 109' ' ' LYS . 29.1 t70 -62.23 -50.97 69.64 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.573 1.17 . . . . 61.2 110.702 -176.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.28 -45.36 96.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 O-C-N 124.109 0.88 . . . . 62.41 112.05 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.494 HG21 ' HB2' ' B' ' 91' ' ' LEU . 57.0 m -66.58 -46.8 74.78 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.486 0.314 . . . . 75.44 111.039 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 72.9 m -67.03 -29.41 69.22 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.742 -0.663 . . . . 63.41 111.198 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' B' ' 105' ' ' ASP . 0.8 OUTLIER -72.28 -46.9 53.88 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.264 -0.643 . . . . 63.21 109.264 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 96.6 m -61.46 -50.41 72.88 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.206 0.941 . . . . 64.03 111.28 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.43 -33.56 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 O-C-N 123.428 0.455 . . . . 62.2 110.681 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.11 -35.52 69.19 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.242 0.617 . . . . 71.1 111.22 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.509 ' HA ' ' HB3' ' B' ' 116' ' ' ARG . 88.8 m-20 -72.5 -25.03 61.25 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.316 0.646 . . . . 73.33 111.28 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 48.0 mtm -63.21 -38.16 90.07 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.725 0.41 . . . . 75.32 110.712 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 29.8 pt -94.11 -23.18 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.131 0.572 . . . . 45.44 111.084 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . 0.509 ' HB3' ' HA ' ' B' ' 113' ' ' ASN . 60.2 ttt180 . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 124.324 1.049 . . . . 75.33 110.813 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 110.045 -0.354 . . . . 73.54 110.045 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 38' ' ' ASP . 21.9 m -69.28 121.22 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.472 0.653 . . . . 55.45 109.441 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.551 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 64.9 mttm -81.13 83.42 6.79 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.925 -1.034 . . . . 65.33 110.517 -171.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.2 mt -76.0 86.85 2.92 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.457 0.646 . . . . 74.43 110.161 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.16 113.63 16.28 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.708 -1.133 . . . . 70.44 109.751 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.8 p -72.91 175.2 6.79 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.601 0.76 . . . . 64.01 112.296 -176.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 t -61.17 -29.46 69.81 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.032 0.933 . . . . 74.33 110.892 172.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.4 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 32.4 t70 -87.95 11.95 14.54 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.059 0.944 . . . . 62.41 111.012 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 74.07 -2.39 2.8 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.667 1.587 . . . . 72.01 113.667 172.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -78.6 123.19 26.85 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 109.968 -0.382 . . . . 63.14 109.968 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 5' ' ' LYS . 83.9 t -91.2 100.63 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.516 1.126 . . . . 24.05 110.619 -171.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -90.28 93.21 9.25 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.301 0.64 . . . . 75.53 110.166 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.551 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 46.3 mt-10 -74.1 83.97 1.81 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.258 -0.883 . . . . 75.24 109.962 176.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.3 tp -92.66 156.05 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.526 -0.916 . . . . 73.43 108.526 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.62 136.4 58.0 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 109.927 -0.397 . . . . 73.0 109.927 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -56.31 -41.23 75.64 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.056 0.942 . . . . 74.31 111.23 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -60.39 -32.32 71.2 Favored 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.234 0.959 . . . . 75.12 112.668 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 50.2 mt -81.18 -34.17 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.38 0.672 . . . . 73.53 110.052 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.19 -18.8 62.46 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.159 0.584 . . . . 44.43 111.52 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.1 m -71.32 -25.38 62.38 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.251 0.62 . . . . 71.44 111.636 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.459 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 86.6 mtp -61.02 -36.88 80.7 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.098 0.559 . . . . 72.33 110.311 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.491 ' HA ' HG12 ' A' ' 100' ' ' ILE . 47.4 t -68.79 109.41 3.85 Favored 'General case' 0 C--N 1.343 0.286 0 N-CA-C 108.41 -0.959 . . . . 74.12 108.41 168.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.465 ' HB ' ' HB2' ' A' ' 99' ' ' ASP . 95.5 t -61.97 -43.36 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 123.731 0.645 . . . . 73.44 110.595 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.0 m -63.47 -50.38 69.92 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.465 0.706 . . . . 64.43 111.914 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.54 -41.22 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 C-N-CA 122.807 0.443 . . . . 74.45 110.113 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -61.77 -40.04 93.76 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.593 0.558 . . . . 73.44 110.465 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -69.61 -29.45 66.97 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.771 0.428 . . . . 72.33 111.026 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.7 mtt -68.54 -39.55 81.06 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.195 0.598 . . . . 70.45 110.259 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.13 -52.94 52.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 124.042 0.937 . . . . 73.43 109.893 176.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.39 -28.95 69.63 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.575 1.15 . . . . 73.21 111.567 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.48 -44.07 97.27 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.724 0.81 . . . . 61.22 110.933 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.13 10.63 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 124.221 1.009 . . . . 72.22 109.403 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.95 -66.58 3.54 Favored Glycine 0 C--N 1.349 1.257 0 N-CA-C 109.547 -1.421 . . . . 65.32 109.547 -172.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -155.8 151.27 27.02 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 123.863 0.865 . . . . 71.11 109.157 168.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.6 m -143.9 89.21 2.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.521 0.729 . . . . 63.14 110.113 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.45 ' HA ' HG12 ' A' ' 4' ' ' VAL . 18.7 t70 -74.09 -27.04 60.7 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.215 1.006 . . . . 63.53 109.623 174.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.0 p -62.47 161.35 27.08 Favored Pre-proline 0 CA--C 1.565 1.549 0 C-N-CA 125.574 1.55 . . . . 75.13 112.641 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 9.4 Cg_endo -50.56 110.22 0.37 Allowed 'Trans proline' 0 C--N 1.391 2.779 0 C-N-CA 123.642 2.895 . . . . 73.04 114.851 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -89.79 112.55 52.66 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 108.732 -0.84 . . . . 75.01 108.732 173.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -82.49 129.51 5.8 Favored 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 122.728 2.285 . . . . 64.44 111.656 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.62 88.92 4.63 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 108.094 -1.076 . . . . 52.35 108.094 171.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.19 -12.82 21.16 Favored 'Trans proline' 0 C--N 1.379 2.177 0 C-N-CA 122.729 2.286 . . . . 72.3 113.263 -173.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -78.2 -58.21 3.38 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.152 0.581 . . . . 72.22 110.344 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.2 p -89.06 135.66 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 CA-C-O 121.133 0.492 . . . . 63.52 111.235 -172.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.9 p -80.07 175.17 10.87 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.085 0.954 . . . . 73.41 111.336 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 64.2 p -66.24 -47.76 72.74 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.9 0.88 . . . . 64.14 112.555 -174.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.1 p -59.26 -43.43 92.47 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.691 0.796 . . . . 73.42 111.46 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.526 HG23 HD23 ' A' ' 91' ' ' LEU . 46.4 mm -75.65 -47.94 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.242 -0.89 . . . . 72.42 110.276 -177.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.2 tp -61.77 -38.69 88.96 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.402 0.681 . . . . 64.02 111.185 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.19 -51.59 69.11 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.994 0.918 . . . . 63.53 110.61 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -61.9 -45.28 94.4 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 124.42 1.075 . . . . 54.3 111.35 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.28 -40.39 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 123.153 0.581 . . . . 75.25 111.143 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.1 mt -73.0 -35.17 66.78 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.018 0.527 . . . . 63.23 111.427 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.64 -32.64 66.05 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.278 0.631 . . . . 72.42 110.021 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -71.75 -46.85 57.15 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.163 0.585 . . . . 74.14 109.744 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.551 ' SG ' HG21 ' A' ' 100' ' ' ILE . 97.1 m -62.14 -32.0 72.54 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 123.759 0.662 . . . . 71.1 110.766 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 33.2 ttp180 -65.46 -45.94 81.8 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 123.551 0.532 . . . . 75.1 110.491 174.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -65.05 -35.29 80.68 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 123.273 0.358 . . . . 75.1 110.759 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -79.08 -15.84 57.61 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.368 0.667 . . . . 71.12 110.391 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.459 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 42.9 t60 -81.89 -35.36 29.31 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.222 0.609 . . . . 72.42 109.69 173.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 9.2 mm100 -71.05 -33.8 70.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 116.006 -0.543 . . . . 72.33 109.783 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 108.141 -1.059 . . . . 74.53 108.141 178.214 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 109.3 -0.63 . . . . 74.41 109.3 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.86 148.69 91.5 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.712 2.275 . . . . 73.21 111.9 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.93 -35.73 61.39 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.398 2.732 . . . . 65.02 113.761 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -56.27 -55.66 30.58 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 123.914 0.759 . . . . 73.35 110.739 175.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.74 -28.44 64.71 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 124.132 0.895 . . . . 74.13 110.912 -170.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -71.67 -51.03 25.15 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.533 0.733 . . . . 64.14 110.601 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -71.42 -22.27 61.87 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.246 0.619 . . . . 51.35 111.454 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.24 -45.95 89.77 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.795 0.838 . . . . 73.31 110.058 174.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.549 ' HB3' HG21 ' A' ' 110' ' ' THR . 67.4 m -70.62 -18.22 62.88 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 114.694 -1.139 . . . . 71.41 111.699 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -80.65 77.43 7.48 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 121.821 0.819 . . . . 72.24 110.064 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.39 173.59 11.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 C-N-CA 124.531 1.132 . . . . 62.3 108.754 174.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.7 158.87 29.06 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.628 -0.508 . . . . 74.41 109.628 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -62.58 -42.71 80.92 Favored Pre-proline 0 CA--C 1.572 1.803 0 CA-C-O 118.276 -0.869 . . . . 74.01 112.367 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.24 -43.89 32.14 Favored 'Trans proline' 0 C--N 1.393 2.879 0 C-N-CA 121.944 1.763 . . . . 64.53 111.966 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.0 m -65.29 -29.88 70.68 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.189 0.996 . . . . 43.45 111.288 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.5 tt -67.92 -44.93 75.74 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.194 0.998 . . . . 73.42 108.782 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -68.21 -30.37 69.43 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.606 -0.724 . . . . 74.11 111.166 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -61.98 -40.54 95.96 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.906 0.483 . . . . 51.01 111.006 173.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.526 HD23 HG23 ' A' ' 50' ' ' ILE . 98.5 mt -65.55 -42.64 91.65 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 123.481 0.488 . . . . 71.44 110.289 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.2 mt -60.49 -42.43 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.631 0.772 . . . . 71.2 110.629 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 99.3 mt -73.41 -27.86 61.68 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.787 0.835 . . . . 72.33 111.264 -178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.55 -45.54 68.54 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.887 0.475 . . . . 63.22 109.901 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.51 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -70.81 -27.81 64.17 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.582 0.753 . . . . 75.44 111.52 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -69.75 -41.76 74.78 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.531 1.132 . . . . 71.44 109.589 175.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -74.77 -35.11 62.55 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.442 1.097 . . . . 74.25 111.825 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.9 mt -100.87 -4.74 27.22 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.552 0.575 . . . . 74.15 112.552 -174.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.465 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 65.8 m-20 55.42 31.22 16.45 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.79 1.236 . . . . 52.24 112.346 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.551 HG21 ' SG ' ' A' ' 58' ' ' CYS . 59.3 mt -79.78 94.73 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 109.093 -0.706 . . . . 73.23 109.093 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -57.17 -43.31 99.19 Favored Pre-proline 0 CA--C 1.559 1.324 0 CA-C-O 117.119 -1.42 . . . . 61.24 112.682 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -49.35 -51.5 10.56 Favored 'Trans proline' 0 C--N 1.401 3.312 0 C-N-CA 122.491 2.127 . . . . 72.23 113.901 173.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.51 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.5 tm? -74.56 -41.05 61.22 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.133 0.573 . . . . 73.1 110.019 -174.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.491 HD11 HD11 ' B' ' 104' ' ' LEU . 43.6 tp -61.62 -47.47 85.26 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.808 0.843 . . . . 73.13 110.421 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.52 -52.58 65.04 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.044 -0.98 . . . . 64.14 110.66 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.11 -51.07 47.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 O-C-N 124.18 0.925 . . . . 64.25 112.413 -173.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.7 m -68.72 -40.34 79.96 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 122.725 0.41 . . . . 75.23 111.976 -171.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.5 m -70.87 -30.75 67.22 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.046 0.451 . . . . 73.32 110.94 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' A' ' 109' ' ' LYS . 34.9 ttmt -74.87 -31.93 61.74 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.577 0.751 . . . . 73.53 110.497 178.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.549 HG21 ' HB3' ' A' ' 81' ' ' CYS . 98.8 m -69.54 -46.28 66.82 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.344 0.658 . . . . 55.51 110.66 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.2 p -63.48 -31.92 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-O 120.956 0.408 . . . . 74.43 110.128 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.2 -46.74 79.47 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.463 -0.789 . . . . 63.24 110.587 171.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.4 -34.06 73.39 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.241 0.616 . . . . 74.44 111.545 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 110' ' ' THR . 36.6 mtm -67.9 -43.47 79.2 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.037 0.535 . . . . 65.2 111.194 -178.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.9 pt -75.69 -29.48 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 122.94 0.15 . . . . 73.0 110.783 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -77.41 88.5 3.79 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.302 0.641 . . . . 60.12 109.752 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 N-CA-C 110.547 -1.021 . . . . 44.44 110.547 174.922 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.288 -0.264 . . . . 44.43 110.288 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.62 119.5 11.25 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.603 0.761 . . . . 70.33 109.979 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' B' ' 38' ' ' ASP . 22.0 m -70.04 120.92 18.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 121.516 0.674 . . . . 71.03 109.711 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.549 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 65.5 mttm -80.52 83.85 6.24 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.814 -1.085 . . . . 72.13 110.403 -171.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -76.14 86.81 3.0 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.292 0.567 . . . . 74.05 110.16 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.66 113.92 15.99 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.973 -1.012 . . . . 73.44 109.566 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.3 p -72.85 175.6 6.39 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.404 0.682 . . . . 75.24 112.455 -176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.0 t -60.81 -29.95 69.78 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.926 -1.033 . . . . 65.22 110.999 172.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.417 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 32.9 t70 -88.87 13.68 12.1 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.358 1.063 . . . . 50.43 110.911 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 72.63 -2.31 2.7 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 125.577 1.551 . . . . 74.54 113.667 172.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -78.8 122.79 26.49 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.174 0.443 . . . . 65.41 109.818 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.2 t -90.31 103.71 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.54 1.136 . . . . 64.03 110.397 -172.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -93.13 92.82 7.96 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.71 0.804 . . . . 75.31 110.202 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.549 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 46.8 mt-10 -73.56 84.33 1.54 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.367 -0.833 . . . . 50.23 110.321 176.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.4 tp -93.16 155.95 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 108.533 -0.914 . . . . 41.4 108.533 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.9 135.73 57.69 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 109.717 -0.475 . . . . 74.54 109.717 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -55.54 -41.69 73.56 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.513 1.125 . . . . 75.33 111.176 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -59.22 -33.81 71.43 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.258 1.023 . . . . 74.23 112.407 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 50.0 mt -80.41 -34.22 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.557 0.743 . . . . 65.42 110.046 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.35 -18.69 62.36 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.291 0.637 . . . . 74.41 111.558 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 73.1 m -71.27 -25.2 62.35 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.04 0.536 . . . . 73.44 111.539 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . 0.438 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 86.1 mtp -61.7 -36.34 80.63 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 121.221 0.534 . . . . 73.23 110.266 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.498 ' HA ' HG12 ' B' ' 100' ' ' ILE . 47.3 t -69.04 109.02 3.78 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.316 -0.994 . . . . 53.42 108.316 168.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.492 ' HB ' ' HB2' ' B' ' 99' ' ' ASP . 91.6 t -61.5 -43.81 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 123.786 0.679 . . . . 73.31 110.609 -177.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 35.6 m -63.09 -50.28 71.16 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.417 0.687 . . . . 70.31 111.9 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 81.9 mt -62.6 -40.93 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 122.876 0.471 . . . . 72.5 110.272 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -62.06 -40.05 94.47 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 123.011 0.525 . . . . 73.24 110.412 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -69.43 -29.85 67.66 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.63 0.372 . . . . 73.24 111.195 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 66.0 mtt -68.16 -39.43 82.59 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.33 0.652 . . . . 75.5 110.248 174.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.407 HG23 ' H ' ' B' ' 37' ' ' SER . 97.4 mt -63.29 -52.85 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 124.011 0.924 . . . . 74.21 109.937 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.13 -28.73 69.63 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.481 1.112 . . . . 75.33 111.413 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.5 -43.52 96.97 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.648 0.779 . . . . 73.41 110.934 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 27.9 mt -91.53 9.26 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 CA-C-N 114.986 -1.006 . . . . 71.52 109.372 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.9 -65.79 3.2 Favored Glycine 0 C--N 1.347 1.147 0 N-CA-C 110.051 -1.22 . . . . 61.11 110.051 -173.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -157.0 149.32 23.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.714 0.805 . . . . 72.41 108.917 167.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.407 ' H ' HG23 ' B' ' 31' ' ' ILE . 74.6 m -142.37 89.62 2.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.489 0.716 . . . . 72.31 110.412 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.446 ' HA ' HG12 ' B' ' 4' ' ' VAL . 18.1 t70 -74.03 -27.84 61.14 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.123 0.969 . . . . 73.12 109.641 174.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.2 p -61.99 160.12 31.96 Favored Pre-proline 0 CA--C 1.564 1.483 0 C-N-CA 125.713 1.605 . . . . 75.44 112.735 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.447 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 9.7 Cg_endo -49.71 110.42 0.37 Allowed 'Trans proline' 0 C--N 1.391 2.81 0 C-N-CA 123.677 2.918 . . . . 75.12 114.874 -177.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mm -89.94 112.12 50.41 Favored Pre-proline 0 CA--C 1.545 0.786 0 N-CA-C 108.851 -0.796 . . . . 74.33 108.851 173.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -82.5 129.54 5.79 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.826 2.351 . . . . 72.32 111.405 177.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.41 88.99 4.47 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 108.071 -1.085 . . . . 71.2 108.071 171.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.41 -11.68 20.75 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.816 2.344 . . . . 62.55 113.415 -173.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -79.47 -57.3 3.76 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.349 0.659 . . . . 52.4 110.536 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 11.3 p -89.49 134.23 29.31 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 CA-C-N 115.984 -0.553 . . . . 72.13 111.235 -172.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.5 p -78.85 174.77 11.15 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.236 1.014 . . . . 74.3 111.158 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.9 p -66.69 -46.71 74.72 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.592 0.757 . . . . 70.32 112.488 -173.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 58.4 p -59.41 -43.41 93.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.642 0.777 . . . . 54.01 111.554 -175.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.533 HG23 HD23 ' B' ' 91' ' ' LEU . 46.1 mm -75.46 -47.92 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.23 -0.895 . . . . 51.43 110.34 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.89 -39.35 91.65 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.349 0.66 . . . . 73.53 111.168 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.59 -51.49 69.29 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.156 0.982 . . . . 74.12 110.525 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -62.01 -44.96 95.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.843 -1.072 . . . . 74.13 111.536 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.8 -39.78 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.124 0.57 . . . . 72.54 111.029 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.95 -35.81 67.04 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.073 0.549 . . . . 74.23 111.403 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -72.58 -32.6 66.13 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.241 0.616 . . . . 73.13 110.162 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -71.52 -46.91 58.35 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.932 -0.576 . . . . 74.42 109.805 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.541 ' SG ' HG21 ' B' ' 100' ' ' ILE . 97.2 m -62.2 -31.64 72.19 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.78 0.675 . . . . 73.13 110.781 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 34.0 ttp180 -65.85 -45.88 80.53 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.614 0.571 . . . . 74.25 110.339 174.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -64.67 -35.47 81.13 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.32 0.388 . . . . 71.22 110.799 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -79.29 -15.5 57.86 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.669 0.787 . . . . 74.53 110.511 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . 0.438 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 45.7 t60 -81.66 -36.45 28.77 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.29 0.636 . . . . 72.22 109.596 172.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 8.8 mm100 -70.53 -34.38 72.22 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.652 0.595 . . . . 73.43 109.619 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 108.248 -1.019 . . . . 61.43 108.248 178.242 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 65.0 mt . . . . . 0 CA--C 1.547 0.859 0 CA-C-O 118.66 -0.686 . . . . 71.43 109.275 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.25 148.08 93.86 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.653 2.235 . . . . 31.01 112.084 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.54 -34.61 52.88 Favored 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 123.539 2.826 . . . . 64.24 113.829 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -57.09 -55.92 28.41 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 123.039 0.535 . . . . 73.45 110.784 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.39 -28.22 64.92 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.074 0.95 . . . . 62.2 110.942 -170.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -71.87 -51.42 22.42 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.476 0.711 . . . . 70.42 110.625 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -71.17 -22.59 62.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.288 0.635 . . . . 74.32 111.509 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -59.07 -46.03 89.3 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.954 0.902 . . . . 62.01 109.992 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . 0.542 ' HB3' HG21 ' B' ' 110' ' ' THR . 69.9 m -70.52 -18.39 62.94 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.718 -1.128 . . . . 45.15 111.596 -178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -79.76 75.52 6.44 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 121.663 0.744 . . . . 74.43 110.684 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 m -123.7 174.3 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.183 0.993 . . . . 54.32 108.781 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.86 157.83 29.49 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.695 -0.483 . . . . 73.3 109.695 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -61.7 -43.03 86.66 Favored Pre-proline 0 CA--C 1.569 1.683 0 CA-C-O 118.428 -0.796 . . . . 74.15 112.281 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.39 -44.12 35.43 Favored 'Trans proline' 0 C--N 1.396 3.041 0 C-N-CA 121.858 1.705 . . . . 74.21 112.23 169.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 14.0 m -66.07 -29.42 69.75 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.98 0.912 . . . . 63.23 111.336 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.51 -45.12 76.71 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.154 0.981 . . . . 73.44 108.79 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -68.46 -30.35 69.19 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.631 -0.713 . . . . 74.23 111.093 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -61.99 -40.29 95.12 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.837 0.455 . . . . 72.24 111.027 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.533 HD23 HG23 ' B' ' 50' ' ' ILE . 98.3 mt -65.81 -42.61 90.44 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.575 0.547 . . . . 72.15 110.324 175.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.24 -42.32 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.596 0.758 . . . . 51.01 110.686 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.73 -27.67 61.31 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.67 0.788 . . . . 75.2 111.217 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.64 67.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.858 0.463 . . . . 75.44 109.789 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.505 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -70.47 -28.09 64.74 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.644 0.777 . . . . 71.21 111.441 177.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -69.9 -41.75 74.3 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.514 1.125 . . . . 62.52 109.431 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -74.74 -34.94 62.63 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.42 1.088 . . . . 72.44 111.646 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.99 -4.69 27.02 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 112.436 0.532 . . . . 72.33 112.436 -173.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.492 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 65.4 m-20 55.81 30.03 15.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.869 1.268 . . . . 74.01 112.526 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.541 HG21 ' SG ' ' B' ' 58' ' ' CYS . 60.0 mt -78.85 94.58 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 109.185 -0.672 . . . . 75.52 109.185 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -56.61 -42.94 98.84 Favored Pre-proline 0 CA--C 1.562 1.405 0 CA-C-O 117.222 -1.37 . . . . 72.41 112.975 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -49.4 -51.95 9.72 Favored 'Trans proline' 0 C--N 1.401 3.3 0 C-N-CA 122.613 2.209 . . . . 53.4 113.935 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.505 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.5 tm? -74.57 -40.81 61.41 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.148 0.579 . . . . 72.3 109.935 -174.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.491 HD11 HD11 ' A' ' 104' ' ' LEU . 42.9 tp -61.53 -47.63 84.7 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.78 0.832 . . . . 75.24 110.53 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.92 -52.58 65.15 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 114.957 -1.02 . . . . 70.12 110.695 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 76.1 t -68.32 -51.28 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 123.995 0.809 . . . . 75.15 112.31 -174.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 32.2 m -68.67 -40.05 80.31 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 122.792 0.437 . . . . 64.34 112.096 -171.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 72.8 m -71.24 -30.83 66.81 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 120.937 0.399 . . . . 64.32 111.014 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -74.81 -31.91 61.83 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.573 0.749 . . . . 71.12 110.568 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . 0.542 HG21 ' HB3' ' B' ' 81' ' ' CYS . 99.7 m -69.3 -46.25 67.63 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 123.476 0.711 . . . . 61.53 110.647 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 6.7 p -63.87 -31.98 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-O 120.899 0.38 . . . . 75.35 110.101 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.05 78.32 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 115.435 -0.802 . . . . 73.31 110.571 171.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.01 -34.44 73.35 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.114 0.566 . . . . 62.1 111.318 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' B' ' 110' ' ' THR . 35.2 mtm -67.59 -43.85 79.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.082 0.553 . . . . 75.35 111.019 -178.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.0 pt -75.25 -29.47 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 122.225 0.21 . . . . 62.23 110.487 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 . . . . . 0 N--CA 1.471 0.606 0 C-N-CA 123.09 0.556 . . . . 74.0 109.851 178.136 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.501 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 84.0 mt . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 109.752 -0.462 . . . . 74.04 109.752 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.2 m -79.15 127.22 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 121.337 0.589 . . . . 75.14 109.853 173.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.496 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 65.3 mttm -79.94 91.82 5.47 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.309 1.044 . . . . 75.34 110.634 -173.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.6 HD21 HD13 ' A' ' 27' ' ' ILE . 10.7 mp -89.78 90.92 8.41 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.098 0.559 . . . . 75.04 109.739 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -77.65 126.3 30.67 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.697 -0.683 . . . . 73.21 109.331 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.1 p -79.18 174.71 11.29 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.053 0.941 . . . . 63.32 110.767 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.5 p -66.14 -21.03 66.32 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.323 0.649 . . . . 72.23 111.244 173.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.52 13.85 9.36 Favored 'General case' 0 CA--C 1.562 1.408 0 C-N-CA 123.848 0.859 . . . . 72.12 110.779 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 67.97 10.86 8.08 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 125.144 1.377 . . . . 44.32 113.057 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -90.34 122.45 33.24 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.58 -0.526 . . . . 61.51 109.58 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.6 t -90.24 98.68 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 123.792 0.837 . . . . 75.44 110.204 -172.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -90.72 96.0 10.42 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.532 0.733 . . . . 75.31 109.45 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.501 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 39.3 mt-10 -78.89 85.29 4.87 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 114.95 -1.023 . . . . 73.35 109.888 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.562 HD12 ' HB3' ' A' ' 55' ' ' LEU . 6.8 tt -86.45 156.11 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.612 0.765 . . . . 74.52 109.579 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.82 134.32 56.92 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 123.56 0.744 . . . . 73.23 109.587 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -63.08 -38.55 91.64 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.328 1.051 . . . . 62.1 112.508 -169.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -64.39 -31.13 72.21 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.206 0.603 . . . . 62.0 111.664 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.0 mt -81.54 -34.04 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 123.652 0.781 . . . . 71.2 110.973 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -27.72 69.53 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.105 0.562 . . . . 62.45 111.794 177.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 81.1 m -66.56 -22.17 66.15 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.046 0.938 . . . . 72.12 112.714 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 77.6 mtp -63.91 -25.55 68.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.159 0.584 . . . . 70.31 112.101 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 t -80.93 130.17 34.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.573 -0.899 . . . . 72.31 108.573 169.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 57.3 t -63.07 -51.99 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 123.579 0.549 . . . . 64.54 110.108 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 98' ' ' LEU . 87.8 m -60.88 -47.38 86.65 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 123.906 0.754 . . . . 74.12 112.023 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.6 HD13 HD21 ' A' ' 6' ' ' LEU . 83.6 mt -64.73 -42.54 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 122.541 0.337 . . . . 54.31 110.574 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -58.9 -47.58 84.48 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.461 0.704 . . . . 74.31 110.171 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -67.11 -30.41 70.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.342 1.057 . . . . 62.21 111.288 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.2 mmt -65.31 -50.51 65.4 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.475 -0.565 . . . . 72.23 109.475 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.57 -45.01 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.665 0.786 . . . . 70.22 110.248 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.71 -42.2 86.74 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.525 0.73 . . . . 70.23 111.828 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.34 -41.73 89.15 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.721 0.809 . . . . 72.3 110.759 -177.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.5 mt -71.14 -22.32 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.065 0.946 . . . . 63.43 110.515 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.37 60.16 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-N 116.344 -0.389 . . . . 61.43 112.334 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 75.63 116.52 0.06 Allowed 'General case' 0 C--N 1.353 0.724 0 C-N-CA 126.377 1.871 . . . . 75.04 110.633 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.4 m -144.56 150.24 37.16 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.132 0.973 . . . . 53.54 109.387 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -81.48 -3.35 52.79 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.334 0.654 . . . . 71.33 111.074 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 m -52.68 131.07 46.63 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.654 1.181 . . . . 75.12 111.436 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 33.3 Cg_exo -59.5 106.76 0.33 Allowed 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.633 2.222 . . . . 61.43 111.421 176.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.6 mm -66.62 110.2 4.54 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 124.108 0.963 . . . . 75.32 110.152 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -84.31 133.19 5.4 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.293 1.995 . . . . 75.5 111.556 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -118.47 89.43 36.54 Favored Pre-proline 0 CA--C 1.547 0.863 0 N-CA-C 108.483 -0.932 . . . . 73.12 108.483 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -81.61 57.47 6.38 Favored 'Trans proline' 0 C--N 1.378 2.123 0 C-N-CA 123.516 2.81 . . . . 72.13 112.352 -174.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -159.88 -62.47 0.07 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.493 -0.928 . . . . 74.23 108.493 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.02 124.21 37.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 115.623 -0.717 . . . . 75.21 110.018 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.5 p -76.96 175.08 9.88 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.916 0.886 . . . . 74.44 110.731 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 p -64.93 -46.64 80.8 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.853 0.461 . . . . 50.45 111.946 -175.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.9 p -61.39 -43.66 98.48 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.532 0.733 . . . . 73.31 111.222 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.631 HG23 HD23 ' A' ' 91' ' ' LEU . 51.8 mm -73.07 -44.57 56.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.737 -0.665 . . . . 73.33 110.409 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 tp -65.02 -34.09 77.61 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.947 0.499 . . . . 62.44 110.952 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.14 -50.58 72.38 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.037 0.935 . . . . 63.11 109.767 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HD2' HD21 ' A' ' 91' ' ' LEU . 67.6 mttm -61.62 -48.31 81.47 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.31 1.006 . . . . 74.34 111.249 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.477 HG11 HD12 ' A' ' 98' ' ' LEU . 55.6 t -58.61 -49.03 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.256 -0.883 . . . . 71.34 111.015 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 16' ' ' ILE . 68.9 mt -71.13 -29.57 65.4 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.64 0.587 . . . . 74.53 111.976 -176.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -72.09 -40.05 68.49 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.174 0.589 . . . . 73.31 109.416 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -71.54 -37.4 71.14 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.296 0.638 . . . . 75.5 110.925 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 96.3 m -60.99 -39.53 90.01 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.569 0.543 . . . . 43.32 109.677 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 44.3 ttm180 -61.68 -48.1 82.3 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 122.913 0.485 . . . . 60.03 110.85 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -54.46 -48.71 71.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.626 0.77 . . . . 73.24 111.635 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -75.09 -17.33 60.47 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.224 -0.898 . . . . 73.13 110.887 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.478 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 16.9 t60 -80.92 -40.32 24.79 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.799 0.44 . . . . 65.42 110.16 176.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 10.9 mm100 -75.6 -27.88 58.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.454 0.702 . . . . 64.25 110.234 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 . . . . . 0 CA--C 1.551 1.013 0 N-CA-C 108.411 -0.959 . . . . 73.2 108.411 173.754 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mm . . . . . 0 CA--C 1.557 1.215 0 CA-C-O 119.153 -0.451 . . . . 61.23 110.528 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.74 154.11 51.56 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 123.152 2.568 . . . . 62.02 112.945 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.65 -37.98 54.54 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 123.843 3.029 . . . . 72.24 113.267 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -53.3 -50.91 63.94 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.912 0.757 . . . . 73.22 111.66 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.22 -33.38 74.31 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.844 0.857 . . . . 74.21 111.023 -172.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -64.39 -49.02 73.24 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.454 -0.794 . . . . 63.32 109.975 173.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.85 -23.47 63.29 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.553 -0.748 . . . . 64.41 112.182 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -64.74 -42.68 95.02 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.752 0.821 . . . . 72.23 109.59 172.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.422 ' HB3' HG21 ' A' ' 110' ' ' THR . 84.9 m -79.2 -17.68 54.4 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.017 -0.992 . . . . 72.22 111.946 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -76.33 82.22 3.09 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.406 -0.59 . . . . 71.1 109.406 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.1 m -126.45 175.62 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.05 0.94 . . . . 61.13 109.722 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.49 151.4 46.46 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 109.163 -0.681 . . . . 71.44 109.163 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -53.36 61.06 Favored Pre-proline 0 CA--C 1.568 1.67 0 CA-C-O 118.374 -0.822 . . . . 72.22 112.167 -164.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.484 ' HA ' HD12 ' B' ' 115' ' ' ILE . 36.5 Cg_endo -66.5 -30.27 43.73 Favored 'Trans proline' 0 C--N 1.387 2.563 0 CA-C-N 121.557 1.592 . . . . 71.14 113.072 172.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.3 m -61.31 -31.29 71.14 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.947 0.899 . . . . 72.0 111.372 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.69 -43.22 98.02 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.806 0.842 . . . . 50.24 109.413 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.502 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 41.7 m-85 -74.63 -31.1 61.88 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.633 -0.712 . . . . 70.14 111.706 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 37.2 mm-40 -63.84 -32.01 73.38 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.858 0.463 . . . . 63.22 110.33 173.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.631 HD23 HG23 ' A' ' 50' ' ' ILE . 69.7 mt -71.49 -36.78 71.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.83 0.852 . . . . 71.34 111.264 172.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.68 -43.08 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 123.428 0.691 . . . . 75.23 110.005 174.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 84.2 mt -69.56 -37.78 77.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.686 0.795 . . . . 64.31 110.662 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.97 -32.3 61.66 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.564 0.746 . . . . 70.14 111.616 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.504 ' HB2' HD22 ' A' ' 103' ' ' LEU . . . -74.21 -28.51 61.29 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.125 0.57 . . . . 75.2 111.08 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -78.84 -36.74 41.99 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.697 0.799 . . . . 55.31 110.287 171.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -65.63 -37.93 87.98 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.554 1.142 . . . . 71.42 111.129 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.477 HD12 HG11 ' A' ' 54' ' ' VAL . 87.9 mt -100.68 -9.33 21.96 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.818 0.847 . . . . 75.45 111.088 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.496 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 29.9 t0 59.57 37.19 22.76 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.346 1.458 . . . . 71.11 112.35 173.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -83.41 105.12 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.806 -0.813 . . . . 64.43 108.806 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -59.13 -48.66 96.04 Favored Pre-proline 0 CA--C 1.565 1.554 0 CA-C-O 117.931 -1.033 . . . . 72.13 112.602 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.81 -50.7 10.83 Favored 'Trans proline' 0 C--N 1.402 3.354 0 C-N-CA 122.324 2.016 . . . . 75.03 112.679 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.504 HD22 ' HB2' ' A' ' 95' ' ' ALA . 3.6 tt -65.22 -43.97 89.76 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.945 0.498 . . . . 73.33 110.23 -175.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.565 HD21 HD21 ' B' ' 104' ' ' LEU . 40.5 tp -63.04 -41.7 99.56 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.154 0.582 . . . . 54.14 110.666 -178.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.94 -53.08 35.33 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.55 0.532 . . . . 53.52 110.187 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.58 -47.41 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.782 0.833 . . . . 75.23 111.66 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.0 m -72.13 -39.89 68.5 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.83 0.452 . . . . 73.34 111.701 -175.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 82.6 m -67.45 -30.88 70.72 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.492 0.317 . . . . 72.42 111.121 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -71.71 -39.13 70.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.236 0.614 . . . . 60.35 110.188 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.422 HG21 ' HB3' ' A' ' 81' ' ' CYS . 98.8 m -57.03 -48.01 79.53 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.208 0.603 . . . . 74.02 111.413 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.443 HG21 ' CZ ' ' A' ' 89' ' ' PHE . 7.7 p -72.75 -35.15 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 116.344 -0.389 . . . . 72.1 111.219 177.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 116' ' ' ARG . . . -60.83 -48.03 83.67 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 123.144 0.578 . . . . 60.42 111.024 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -59.72 -28.42 67.33 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.95 0.9 . . . . 74.4 112.392 -173.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 43.1 mtm -66.78 -43.83 82.95 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.175 0.59 . . . . 72.2 110.372 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.5 pt -101.38 -2.95 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.057 0.943 . . . . 74.45 111.84 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' A' ' 112' ' ' ALA . 1.8 tmt_? -96.98 41.13 1.12 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 108.14 -1.059 . . . . 70.14 108.14 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.509 0 N-CA-C 116.206 1.242 . . . . 50.14 116.206 178.089 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.055 0.455 . . . . 71.13 110.641 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.506 ' HB3' ' HB3' ' B' ' 15' ' ' GLU . 88.0 mt -88.86 118.73 28.78 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.288 -0.869 . . . . 55.34 109.811 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.2 m -78.86 126.44 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-O 121.204 0.526 . . . . 64.42 109.914 173.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.508 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 64.6 mttm -78.84 92.09 4.82 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.336 1.054 . . . . 74.11 110.736 -174.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.598 HD21 HD13 ' B' ' 27' ' ' ILE . 10.6 mp -89.73 91.03 8.48 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.619 -0.511 . . . . 73.51 109.619 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.9 126.6 31.08 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.749 -0.66 . . . . 75.22 109.51 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.2 p -79.46 175.63 10.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.983 0.913 . . . . 63.23 110.752 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.2 p -67.24 -21.02 65.75 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.492 0.717 . . . . 71.02 111.491 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -87.43 13.56 9.76 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 123.981 0.912 . . . . 63.25 110.732 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 68.2 10.9 8.12 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.109 1.364 . . . . 73.12 113.07 173.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -90.62 122.6 33.55 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.853 0.461 . . . . 72.35 109.82 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 48.8 t -89.78 98.05 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 123.997 0.919 . . . . 74.31 110.596 -173.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -90.32 96.76 10.82 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.501 0.72 . . . . 73.34 109.242 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.508 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 39.5 mt-10 -80.52 84.73 6.06 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.372 -0.831 . . . . 72.15 109.798 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' B' ' 55' ' ' LEU . 6.7 tt -85.72 155.92 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 115.637 -0.71 . . . . 53.23 109.621 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.05 133.51 56.16 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 123.574 0.75 . . . . 75.11 109.759 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -62.1 -39.2 91.69 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.466 1.106 . . . . 70.34 112.52 -169.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.72 -31.38 72.53 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.346 0.658 . . . . 71.13 111.873 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mt -81.66 -33.6 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.704 0.802 . . . . 75.4 110.907 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.68 69.4 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.011 0.524 . . . . 65.5 111.849 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 64.2 m -66.62 -22.68 66.11 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.126 0.971 . . . . 55.3 112.63 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 80.3 mtp -62.4 -29.64 70.64 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.289 0.635 . . . . 64.44 111.87 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.422 ' HA ' HG12 ' B' ' 100' ' ' ILE . 29.1 t -77.66 129.36 35.47 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.61 -0.885 . . . . 54.02 108.61 170.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 58.5 t -63.83 -50.52 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 123.705 0.628 . . . . 72.13 110.133 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.425 ' HB ' ' HA ' ' B' ' 98' ' ' LEU . 87.4 m -61.43 -47.99 83.24 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.341 0.656 . . . . 72.53 112.091 -177.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.598 HD13 HD21 ' B' ' 6' ' ' LEU . 83.2 mt -64.25 -42.37 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 122.623 0.369 . . . . 61.11 110.497 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -59.08 -47.6 84.65 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.364 0.665 . . . . 64.15 110.276 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -66.91 -30.4 70.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.181 0.992 . . . . 73.44 111.31 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 21.9 mmt -65.1 -50.47 65.98 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 109.605 -0.517 . . . . 64.32 109.605 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -59.05 -44.65 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.649 0.78 . . . . 74.43 110.225 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -66.54 -41.71 88.29 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.36 0.664 . . . . 62.42 111.628 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.64 -42.15 82.74 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.692 0.797 . . . . 71.3 110.741 -176.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 86.4 mt -69.84 -23.04 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 CA-C-N 115.019 -0.991 . . . . 74.33 110.471 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.71 18.62 58.05 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.208 -0.451 . . . . 71.45 112.261 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 74.7 114.95 0.06 Allowed 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.328 1.851 . . . . 74.21 111.114 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 66.2 m -143.38 151.0 39.9 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 124.284 1.034 . . . . 64.03 109.567 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -81.1 -5.11 57.27 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.594 0.758 . . . . 64.32 111.064 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -51.86 131.04 38.65 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.384 1.073 . . . . 64.31 111.457 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 32.4 Cg_exo -59.62 106.37 0.31 Allowed 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.755 2.303 . . . . 71.22 111.726 177.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 45.5 mm -66.54 109.77 3.88 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 124.118 0.967 . . . . 74.12 110.099 -177.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.65 132.69 4.96 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 122.314 2.009 . . . . 72.41 111.281 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.4 mt -117.7 89.71 33.82 Favored Pre-proline 0 CA--C 1.55 0.95 0 N-CA-C 108.701 -0.851 . . . . 64.52 108.701 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -81.38 57.4 6.41 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.722 2.948 . . . . 71.23 112.585 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -159.83 -63.69 0.07 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.326 -0.99 . . . . 72.41 108.326 -175.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -78.7 124.33 36.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 CA-C-N 115.817 -0.629 . . . . 65.24 110.175 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 73.8 p -76.54 175.1 9.56 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.888 0.875 . . . . 43.51 110.972 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 71.1 p -65.22 -46.1 82.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.943 0.497 . . . . 74.2 111.897 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.402 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 35.2 p -61.1 -43.86 98.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.521 0.729 . . . . 72.21 111.188 -178.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.631 HG23 HD23 ' B' ' 91' ' ' LEU . 51.7 mm -73.67 -44.66 52.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 115.689 -0.687 . . . . 64.32 110.404 -175.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.79 -34.08 77.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.039 0.536 . . . . 64.15 110.753 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.0 -51.41 69.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.916 0.886 . . . . 71.1 109.357 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.53 ' HD2' HD21 ' B' ' 91' ' ' LEU . 67.4 mttm -60.58 -48.8 80.15 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.294 -0.867 . . . . 73.14 111.303 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.486 HG11 HD12 ' B' ' 98' ' ' LEU . 55.5 t -58.33 -49.4 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 124.323 1.014 . . . . 73.31 111.084 -174.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.561 ' HB3' HD12 ' B' ' 16' ' ' ILE . 68.7 mt -70.62 -29.42 65.8 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.222 0.609 . . . . 65.31 112.061 -175.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -72.48 -39.75 67.46 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.4 0.68 . . . . 74.13 109.694 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -72.11 -37.2 69.55 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.699 -0.682 . . . . 74.35 111.009 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 95.3 m -60.99 -39.84 91.21 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.632 0.582 . . . . 72.55 109.664 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.47 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 45.0 ttm180 -61.52 -47.87 83.62 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.414 0.446 . . . . 74.12 110.852 175.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -54.58 -48.77 71.7 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.625 0.77 . . . . 72.34 111.581 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -74.95 -16.87 60.63 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.245 -0.889 . . . . 74.43 111.019 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . 0.47 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 15.7 t60 -82.09 -38.45 24.84 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.974 0.51 . . . . 71.44 110.497 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 10.6 mm100 -76.29 -27.96 56.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.46 0.704 . . . . 70.24 110.162 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 . . . . . 0 CA--C 1.551 1.01 0 N-CA-C 108.408 -0.96 . . . . 75.11 108.408 173.729 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 37.8 mm . . . . . 0 CA--C 1.553 1.063 0 CA-C-O 119.462 -0.304 . . . . 44.4 110.314 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.9 152.61 56.59 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.188 2.592 . . . . 71.23 112.932 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -49.0 -39.64 40.59 Favored 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 123.554 2.836 . . . . 70.03 113.24 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -52.27 -51.09 60.48 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.463 0.705 . . . . 73.41 111.742 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.48 -32.94 74.12 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.866 0.866 . . . . 62.32 111.242 -172.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -64.95 -48.45 74.02 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.408 -0.815 . . . . 52.11 109.975 173.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -70.34 -23.65 62.85 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.837 0.71 . . . . 70.22 111.915 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -64.57 -42.31 95.72 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.639 0.776 . . . . 63.44 109.652 172.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . 0.401 ' HB3' HG21 ' B' ' 110' ' ' THR . 73.8 m -80.06 -15.49 57.06 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.169 -0.923 . . . . 55.34 111.887 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -77.9 83.37 4.23 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 109.388 -0.597 . . . . 63.34 109.388 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 24.7 m -127.91 175.44 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.149 0.98 . . . . 71.11 109.934 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.9 151.21 46.23 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.605 0.762 . . . . 72.24 109.244 175.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -54.79 49.21 Favored Pre-proline 0 CA--C 1.567 1.602 0 CA-C-O 118.378 -0.82 . . . . 64.23 112.218 -165.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.418 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 38.1 Cg_endo -66.69 -29.43 43.1 Favored 'Trans proline' 0 C--N 1.387 2.574 0 CA-C-N 121.585 1.602 . . . . 73.03 112.621 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -60.84 -31.38 70.82 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.043 0.937 . . . . 75.32 111.39 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.13 -43.19 99.27 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.133 0.973 . . . . 74.31 109.392 175.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.461 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 48.8 m-85 -73.81 -31.09 63.07 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.563 -0.744 . . . . 51.31 111.552 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 37.2 mm-40 -64.15 -32.25 73.75 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.931 0.492 . . . . 71.51 110.492 174.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.631 HD23 HG23 ' B' ' 50' ' ' ILE . 70.2 mt -71.34 -36.97 71.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.879 0.871 . . . . 73.22 111.215 172.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.53 -43.78 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 123.51 0.724 . . . . 72.51 109.999 174.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 90.0 mt -69.24 -37.26 77.9 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.767 0.827 . . . . 74.23 110.625 -177.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.09 -32.33 61.42 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.388 0.675 . . . . 52.4 111.586 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.506 ' HB2' HD22 ' B' ' 103' ' ' LEU . . . -74.47 -28.82 61.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.073 0.549 . . . . 72.23 111.174 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -78.35 -36.85 45.59 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.637 0.775 . . . . 71.34 110.199 170.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -65.06 -38.09 89.68 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.192 0.997 . . . . 64.51 111.22 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.486 HD12 HG11 ' B' ' 54' ' ' VAL . 89.7 mt -100.5 -8.77 22.77 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.817 0.847 . . . . 71.0 111.112 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.495 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 24.0 t0 59.73 35.85 22.24 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.449 1.5 . . . . 64.41 112.105 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' B' ' 24' ' ' SER . 54.8 mt -82.59 105.81 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.788 -0.819 . . . . 74.14 108.788 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.414 ' HB2' ' HD3' ' B' ' 102' ' ' PRO . 72.9 mmtt -59.28 -49.51 92.33 Favored Pre-proline 0 CA--C 1.566 1.564 0 CA-C-O 118.202 -0.904 . . . . 71.53 112.724 -174.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' B' ' 101' ' ' LYS . 50.9 Cg_exo -56.7 -50.52 11.46 Favored 'Trans proline' 0 C--N 1.401 3.302 0 C-N-CA 122.315 2.01 . . . . 75.12 112.695 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' B' ' 95' ' ' ALA . 3.6 tt -65.32 -43.99 89.25 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.979 0.512 . . . . 75.2 110.195 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 104' ' ' LEU . 39.9 tp -63.34 -41.56 98.87 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.197 0.599 . . . . 74.1 110.673 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -67.24 -52.2 43.83 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.591 0.557 . . . . 70.32 110.286 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.65 -47.85 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.816 0.847 . . . . 73.32 111.75 -176.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 33.6 m -71.79 -40.05 69.47 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 122.839 0.456 . . . . 74.5 111.648 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 78.5 m -67.52 -30.78 70.53 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.569 0.348 . . . . 64.21 111.173 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -71.49 -38.75 71.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.112 0.565 . . . . 73.4 110.285 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . 0.401 HG21 ' HB3' ' B' ' 81' ' ' CYS . 99.2 m -57.18 -47.85 80.22 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.082 0.553 . . . . 72.54 111.319 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.02 -34.28 38.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 115.946 -0.57 . . . . 65.54 111.168 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' B' ' 116' ' ' ARG . . . -61.7 -47.49 85.05 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.105 0.562 . . . . 73.4 111.045 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -59.28 -28.27 66.59 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.921 0.888 . . . . 75.35 112.257 -173.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 44.5 mtm -67.23 -44.23 79.99 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.421 0.689 . . . . 75.43 110.417 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 86' ' ' PRO . 27.9 pt -101.29 -7.78 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.179 -0.919 . . . . 63.52 112.432 -172.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' B' ' 112' ' ' ALA . 2.2 tmt_? . . . . . 0 N--CA 1.48 1.07 0 C-N-CA 123.279 0.631 . . . . 61.32 110.112 -175.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 109.643 -0.503 . . . . 74.33 109.643 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 m -89.49 127.31 42.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 121.361 0.601 . . . . 62.05 109.468 175.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.554 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 60.6 mttp -82.88 109.08 16.69 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.332 1.053 . . . . 74.3 110.317 -175.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.521 HD21 HD13 ' A' ' 27' ' ' ILE . 11.3 mp -105.48 99.02 8.64 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.199 0.6 . . . . 63.41 109.395 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -79.06 124.18 28.04 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.24 -0.652 . . . . 65.33 109.24 174.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 p -82.2 179.96 7.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.553 0.741 . . . . 65.34 111.163 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 m -68.19 -17.93 64.45 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.045 0.938 . . . . 75.3 111.72 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.545 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 31.1 t70 -95.15 14.76 21.01 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.924 0.89 . . . . 74.54 110.163 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 67.02 12.97 9.29 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 124.781 1.232 . . . . 64.25 112.931 175.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -92.28 121.86 34.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.146 0.579 . . . . 73.51 110.049 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.5 t -90.21 119.85 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 123.786 0.834 . . . . 71.43 109.492 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -112.01 104.14 12.38 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.051 0.94 . . . . 74.13 108.497 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 32.8 mt-10 -82.93 78.5 9.5 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.725 0.81 . . . . 62.25 109.58 -177.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.454 HD12 ' HB3' ' A' ' 55' ' ' LEU . 6.2 tt -79.75 149.54 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.308 -0.86 . . . . 71.31 109.735 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -57.66 124.51 19.34 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.936 0.894 . . . . 72.42 109.697 171.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -55.57 -41.81 73.86 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.102 0.961 . . . . 63.44 112.022 -173.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.05 -35.11 70.86 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.158 0.983 . . . . 51.44 111.573 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 59' ' ' ARG . 51.6 mt -81.72 -35.22 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.951 -1.022 . . . . 72.45 110.78 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.76 -17.86 64.68 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.414 0.685 . . . . 71.31 111.739 175.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 70.9 m -70.17 -23.69 63.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.853 0.861 . . . . 65.32 112.632 176.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.0 mtm -66.44 -29.97 70.22 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 121.085 0.469 . . . . 71.34 110.545 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.581 ' HA ' HG12 ' A' ' 100' ' ' ILE . 48.1 t -76.26 114.54 15.05 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 108.109 -1.071 . . . . 72.53 108.109 168.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 35.7 t -63.43 -47.66 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 O-C-N 123.672 0.608 . . . . 64.12 110.437 -175.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.3 m -62.55 -49.8 73.88 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.267 0.627 . . . . 60.34 112.106 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.521 HD13 HD21 ' A' ' 6' ' ' LEU . 97.6 mt -61.5 -43.46 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 123.072 0.549 . . . . 70.43 110.312 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 23.3 ttpp -59.01 -45.33 90.94 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.485 0.714 . . . . 74.45 110.483 176.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -69.28 -30.3 68.36 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.406 0.682 . . . . 72.22 111.368 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.2 mtt -63.76 -47.0 82.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.244 0.618 . . . . 75.23 109.542 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.82 -44.53 98.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.892 0.877 . . . . 64.22 110.259 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.94 -40.35 91.29 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.58 0.752 . . . . 75.15 111.466 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -66.02 -44.19 85.45 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.782 0.833 . . . . 73.03 110.524 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.2 mm -66.9 -32.01 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.502 0.721 . . . . 62.44 110.108 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.15 16.98 65.89 Favored Glycine 0 C--N 1.348 1.236 0 N-CA-C 111.349 -0.701 . . . . 53.24 111.349 -169.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 71.92 141.05 0.05 Allowed 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.436 1.894 . . . . 64.31 111.139 -175.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.5 t -150.1 160.91 43.29 Favored 'General case' 0 C--O 1.244 0.77 0 C-N-CA 123.268 0.627 . . . . 73.33 109.386 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -76.05 -12.98 60.22 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.5 -0.773 . . . . 42.55 110.51 172.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -64.98 123.91 85.18 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 123.469 0.708 . . . . 65.14 110.696 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -59.07 117.84 4.64 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.834 2.356 . . . . 74.13 111.846 173.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.75 110.51 3.5 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.686 0.794 . . . . 73.34 109.736 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -90.01 116.61 0.64 Allowed 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.635 2.223 . . . . 71.12 111.902 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -98.25 100.46 9.06 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 108.593 -0.891 . . . . 71.33 108.593 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -87.77 41.86 0.71 Allowed 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 123.309 2.673 . . . . 74.33 112.549 -174.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -140.05 -54.2 0.53 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.769 0.827 . . . . 74.24 109.368 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.404 HG11 HD13 ' A' ' 51' ' ' LEU . 12.6 p -88.49 130.58 37.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 123.182 0.593 . . . . 72.23 110.782 -174.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.3 p -78.64 175.27 10.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.232 1.013 . . . . 74.43 111.092 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.545 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 52.0 p -63.29 -48.49 77.89 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.784 0.661 . . . . 53.22 112.784 -174.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 58.3 p -65.79 -39.98 91.49 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.121 0.568 . . . . 71.12 110.95 -176.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.582 HG23 HD23 ' A' ' 91' ' ' LEU . 50.2 mm -74.8 -41.95 47.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.764 -0.653 . . . . 50.21 110.397 -176.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 6' ' ' LEU . 44.7 tp -66.63 -44.53 81.76 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.83 -0.433 . . . . 62.2 109.83 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -55.16 -45.5 75.69 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.82 0.7 . . . . 73.14 110.303 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 49' ' ' THR . 25.1 tttp -66.56 -46.52 75.77 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 114.055 -1.43 . . . . 74.11 110.559 -173.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.425 HG11 HD12 ' A' ' 98' ' ' LEU . 55.3 t -63.09 -47.91 90.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.106 0.879 . . . . 41.1 110.719 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 82.5 mt -65.17 -42.59 93.55 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.707 0.629 . . . . 75.44 110.945 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.44 -32.81 66.61 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.697 0.799 . . . . 71.34 110.72 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.448 ' HA ' ' HE2' ' A' ' 76' ' ' TYR . 78.4 t80 -62.76 -45.67 91.62 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.532 -0.758 . . . . 75.33 110.282 171.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 99.2 m -63.55 -37.25 86.6 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 124.222 0.951 . . . . 62.01 110.577 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.59 ' HA ' HD13 ' A' ' 20' ' ' ILE . 75.3 mtp180 -67.49 -47.91 68.65 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.07 0.548 . . . . 75.2 110.246 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -61.36 -43.16 99.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.811 0.844 . . . . 62.55 111.249 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -73.79 -25.44 60.13 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.629 -0.714 . . . . 74.54 110.095 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -76.77 -31.89 57.34 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.867 0.467 . . . . 75.22 110.1 174.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -82.73 -10.88 58.7 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.561 0.744 . . . . 73.42 111.33 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 CA--C 1.552 1.027 0 C-N-CA 123.772 0.829 . . . . 73.15 109.359 171.238 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.7 mt . . . . . 0 CA--C 1.546 0.824 0 N-CA-C 108.026 -1.101 . . . . 73.12 108.026 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.58 152.33 56.25 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.367 2.711 . . . . 51.54 112.619 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -46.75 -52.13 8.04 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.945 3.096 . . . . 75.12 113.537 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.448 ' HE2' ' HA ' ' A' ' 57' ' ' TYR . 81.4 t80 -62.04 -41.63 98.32 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.934 0.493 . . . . 71.55 111.803 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.84 -28.25 68.84 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.977 0.511 . . . . 72.31 110.909 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.34 -39.15 54.74 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.601 0.76 . . . . 63.43 109.388 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -69.51 -22.93 63.55 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 123.781 0.833 . . . . 75.52 111.283 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -65.41 -34.08 77.45 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.442 1.097 . . . . 71.43 110.102 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 63.6 m -80.14 -7.33 58.87 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.096 0.959 . . . . 74.3 111.96 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -79.94 72.92 6.72 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.734 0.814 . . . . 73.32 110.921 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 m -142.72 156.87 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.812 0.845 . . . . 64.23 110.393 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.37 158.83 33.24 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.237 -0.892 . . . . 74.0 109.357 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -51.0 -55.57 26.8 Favored Pre-proline 0 CA--C 1.564 1.49 0 CA-C-O 117.163 -1.399 . . . . 74.34 113.44 -173.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.493 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 72.2 Cg_exo -51.46 -48.21 22.39 Favored 'Trans proline' 0 C--N 1.393 2.875 0 C-N-CA 121.988 1.792 . . . . 72.03 112.025 176.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.5 m -63.02 -33.39 75.32 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.027 0.931 . . . . 73.11 111.781 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 tt -72.33 -43.84 63.52 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.206 1.003 . . . . 64.5 109.626 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -73.45 -26.55 60.98 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.305 0.642 . . . . 71.25 111.007 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 56.5 mm-40 -60.73 -35.08 75.47 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.811 0.444 . . . . 73.33 111.008 169.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.582 HD23 HG23 ' A' ' 50' ' ' ILE . 96.4 mt -68.26 -34.37 76.08 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.236 0.615 . . . . 72.41 111.304 175.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.3 mt -70.54 -42.77 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 123.539 0.736 . . . . 71.54 110.276 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.37 -35.92 82.44 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.87 0.868 . . . . 72.44 110.335 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.96 -33.61 59.79 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.468 0.707 . . . . 41.12 110.908 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.72 70.15 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.732 0.413 . . . . 53.02 110.956 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -79.69 -42.25 25.13 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.81 0.844 . . . . 75.43 110.602 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.17 -40.78 90.75 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.854 0.862 . . . . 74.22 110.944 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.425 HD12 HG11 ' A' ' 54' ' ' VAL . 72.7 mt -90.97 -5.51 55.32 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.52 0.728 . . . . 73.14 110.945 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 5.8 t70 62.32 26.86 16.07 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.365 1.466 . . . . 62.4 111.577 172.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.581 HG12 ' HA ' ' A' ' 24' ' ' SER . 14.3 mt -81.92 89.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.566 0 N-CA-C 108.379 -0.971 . . . . 74.34 108.379 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -58.77 -42.79 96.11 Favored Pre-proline 0 CA--C 1.565 1.545 0 CA-C-O 117.924 -1.036 . . . . 72.03 113.485 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 106' ' ' VAL . 18.2 Cg_endo -59.63 -40.93 60.7 Favored 'Trans proline' 0 C--N 1.388 2.615 0 CA-C-N 121.543 1.587 . . . . 61.2 112.695 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.15 -44.24 84.7 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.145 0.578 . . . . 73.23 110.386 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.43 -45.09 76.79 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.435 1.085 . . . . 71.12 110.076 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.27 -48.85 74.12 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.061 0.944 . . . . 63.42 111.477 -177.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 102' ' ' PRO . 74.0 t -57.02 -48.93 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.343 0.657 . . . . 72.41 110.929 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.6 m -70.41 -31.18 68.27 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.275 0.63 . . . . 42.42 111.824 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 88.7 m -72.72 -29.5 63.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.5 0.72 . . . . 74.15 111.244 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -39.73 63.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.041 0.536 . . . . 70.24 109.696 174.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -59.26 -49.89 76.09 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.528 0.731 . . . . 72.11 111.686 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.5 m -63.14 -37.8 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 122.412 0.285 . . . . 74.54 110.735 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.39 -27.9 68.21 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.548 0.739 . . . . 61.43 111.767 178.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -80.55 -33.49 36.2 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.772 0.829 . . . . 72.42 111.53 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 49.7 mtm -71.23 -39.18 71.86 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.088 0.471 . . . . 75.01 110.704 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' B' ' 86' ' ' PRO . 19.7 pt -89.29 -2.35 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.479 0.712 . . . . 62.44 111.586 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -59.48 98.69 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.398 0.679 . . . . 62.35 111.516 -168.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 CA-C-N 115.323 -0.853 . . . . 55.2 111.349 177.07 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 120.941 0.401 . . . . 64.15 111.337 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 78.8 mt -77.98 128.04 33.28 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.954 -0.567 . . . . 72.44 109.623 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.7 m -89.59 126.95 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-O 121.388 0.613 . . . . 65.24 109.369 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.553 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 61.3 mttp -82.44 110.38 17.51 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.113 0.965 . . . . 72.11 110.52 -176.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.542 HD21 HD13 ' B' ' 27' ' ' ILE . 11.2 mp -106.36 98.67 8.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.484 0.714 . . . . 60.12 109.422 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -79.38 123.63 27.67 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.351 -0.611 . . . . 74.21 109.351 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 64.1 p -82.09 -179.95 7.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.602 0.761 . . . . 63.2 111.389 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -67.65 -20.46 65.32 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.718 0.807 . . . . 72.33 111.644 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.543 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 36.3 t70 -92.14 13.23 19.6 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.177 0.991 . . . . 75.23 110.62 175.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 68.43 11.9 8.52 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 125.022 1.329 . . . . 75.44 113.028 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -90.51 121.84 32.81 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.281 0.632 . . . . 73.2 110.012 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 51.7 t -90.13 118.82 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.825 0.85 . . . . 51.3 109.521 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -111.35 104.87 13.36 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 124.127 0.971 . . . . 64.54 108.386 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.553 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 32.6 mt-10 -84.16 78.99 9.67 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.356 -0.838 . . . . 75.04 109.352 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.438 HD12 ' HB3' ' B' ' 55' ' ' LEU . 6.0 tt -79.71 149.49 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.298 -0.865 . . . . 72.31 109.69 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.31 124.44 18.9 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.083 0.953 . . . . 74.52 109.686 171.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -55.84 -41.55 74.44 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.959 0.904 . . . . 75.21 112.059 -173.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -58.39 -34.4 70.68 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.989 0.915 . . . . 64.12 111.67 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' B' ' 59' ' ' ARG . 50.5 mt -82.31 -34.76 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 115.056 -0.975 . . . . 64.34 110.818 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.37 -17.77 64.32 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.392 0.677 . . . . 64.12 111.74 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . 0.478 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 85.9 m -70.44 -23.23 62.68 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.966 0.906 . . . . 64.33 112.828 176.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 19.5 mtm -66.33 -29.96 70.26 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.151 0.501 . . . . 72.54 110.689 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.591 ' HA ' HG12 ' B' ' 100' ' ' ILE . 48.3 t -76.75 114.46 15.54 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.003 -1.11 . . . . 74.14 108.003 168.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.415 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 37.8 t -63.34 -47.48 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 O-C-N 123.837 0.711 . . . . 73.25 110.529 -175.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 89.0 m -62.16 -50.38 72.07 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.335 0.654 . . . . 60.44 112.182 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.542 HD13 HD21 ' B' ' 6' ' ' LEU . 97.5 mt -61.51 -43.5 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.251 0.62 . . . . 74.23 110.239 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.478 ' HB2' ' HA ' ' B' ' 22' ' ' CYS . 22.9 ttpp -59.04 -45.46 90.71 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.488 0.715 . . . . 74.41 110.512 176.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -69.08 -29.9 68.1 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.429 0.692 . . . . 72.25 111.419 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.5 mtt -64.18 -47.02 81.43 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.192 0.597 . . . . 73.02 109.612 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 82.8 mt -63.52 -44.8 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 C-N-CA 123.977 0.911 . . . . 62.42 110.145 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.18 -39.11 89.47 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.563 0.745 . . . . 74.24 111.666 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.7 -43.89 79.01 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.544 0.738 . . . . 74.45 110.442 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.79 -31.72 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.464 0.706 . . . . 65.43 110.218 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.64 18.1 66.75 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.781 -0.645 . . . . 70.41 111.663 -169.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 71.16 141.49 0.05 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.619 1.968 . . . . 74.12 111.245 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 44.5 t -151.18 160.48 43.83 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.67 0.788 . . . . 60.22 109.427 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.57 -11.07 59.82 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.253 0.621 . . . . 74.25 110.67 173.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -65.4 124.09 86.15 Favored Pre-proline 0 CA--C 1.559 1.323 0 C-N-CA 123.544 0.738 . . . . 65.31 110.214 175.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.78 117.67 4.43 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.947 2.431 . . . . 75.04 111.862 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -62.84 110.58 3.6 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 123.938 0.895 . . . . 75.22 109.468 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -91.25 114.7 0.41 Allowed 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.497 2.132 . . . . 73.25 112.072 -178.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mp -96.19 101.47 8.66 Favored Pre-proline 0 CA--C 1.558 1.287 0 N-CA-C 108.761 -0.829 . . . . 75.02 108.761 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -88.05 42.52 0.74 Allowed 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.551 2.834 . . . . 63.42 112.49 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -141.67 -52.68 0.44 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.552 0.741 . . . . 53.22 109.959 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.414 HG11 HD13 ' B' ' 51' ' ' LEU . 12.7 p -89.86 130.68 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 CA-C-N 115.651 -0.704 . . . . 71.43 110.777 -175.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 68.3 p -78.88 175.57 10.39 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.917 0.887 . . . . 52.34 110.987 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.543 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 43.3 p -62.61 -49.19 76.21 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.192 0.597 . . . . 52.41 112.582 -174.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' B' ' 53' ' ' LYS . 56.4 p -65.58 -40.46 92.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.213 0.605 . . . . 74.33 110.986 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.573 HG23 HD23 ' B' ' 91' ' ' LEU . 50.6 mm -74.73 -41.52 47.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 CA-C-N 115.924 -0.58 . . . . 73.24 110.329 -176.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' B' ' 6' ' ' LEU . 46.1 tp -66.87 -44.85 79.87 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.805 -0.443 . . . . 65.31 109.805 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -55.1 -45.25 75.47 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.525 0.73 . . . . 75.32 110.039 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' B' ' 49' ' ' THR . 23.4 tttp -66.46 -46.38 76.57 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.234 -1.348 . . . . 75.14 110.62 -172.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.432 HG11 HD12 ' B' ' 98' ' ' LEU . 54.8 t -63.36 -47.7 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 124.15 0.906 . . . . 65.25 110.699 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' B' ' 59' ' ' ARG . 82.0 mt -65.49 -42.62 91.99 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.598 0.561 . . . . 73.23 110.839 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.94 -32.52 67.41 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.758 0.823 . . . . 63.52 110.437 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . 0.45 ' HA ' ' HE2' ' B' ' 76' ' ' TYR . 78.5 t80 -63.65 -45.86 88.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.748 0.819 . . . . 73.31 110.297 171.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.17 -37.65 88.05 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.223 0.952 . . . . 54.23 110.512 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.577 ' HA ' HD13 ' B' ' 20' ' ' ILE . 76.3 mtp180 -66.88 -47.64 71.21 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.042 0.537 . . . . 64.4 110.397 179.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -61.24 -43.77 98.34 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.63 0.772 . . . . 61.42 111.553 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -74.07 -25.06 59.62 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.518 -0.764 . . . . 65.25 109.908 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -76.67 -32.6 58.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.85 0.46 . . . . 41.05 110.111 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 82.3 mm-40 -81.6 -11.9 58.94 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.644 0.778 . . . . 72.33 111.453 177.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 . . . . . 0 CA--C 1.556 1.207 0 C-N-CA 123.978 0.911 . . . . 73.31 109.477 171.257 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 55.1 mt . . . . . 0 CA--C 1.551 0.982 0 N-CA-C 108.084 -1.08 . . . . 74.13 108.084 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.5 151.43 61.96 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.415 2.744 . . . . 72.13 112.719 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -45.75 -52.56 6.71 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.911 3.074 . . . . 75.23 113.619 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . 0.45 ' HE2' ' HA ' ' B' ' 57' ' ' TYR . 81.6 t80 -61.21 -41.91 97.67 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.178 0.591 . . . . 73.33 111.792 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.96 -28.35 68.84 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.211 0.604 . . . . 75.52 110.821 -177.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -75.91 -39.17 56.84 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.55 0.74 . . . . 74.32 109.48 173.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -70.03 -22.95 63.05 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.796 0.838 . . . . 63.3 111.471 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.8 -34.72 79.03 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.362 1.065 . . . . 75.25 110.019 176.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.9 m -79.17 -8.72 59.22 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.091 -0.959 . . . . 74.41 111.89 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -79.13 74.31 5.69 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.766 0.826 . . . . 65.55 110.886 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 m -143.86 157.67 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.931 0.892 . . . . 71.22 109.954 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -75.13 158.88 32.36 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.955 0.902 . . . . 64.31 109.462 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.401 ' O ' ' HD2' ' B' ' 89' ' ' PHE . 15.7 mm100 -50.78 -54.87 31.91 Favored Pre-proline 0 N--CA 1.489 1.483 0 CA-C-O 117.269 -1.348 . . . . 73.31 113.087 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.684 ' HA ' HD12 ' A' ' 115' ' ' ILE . 72.9 Cg_exo -50.98 -50.04 15.12 Favored 'Trans proline' 0 C--N 1.394 2.971 0 CA-C-N 121.981 1.743 . . . . 64.25 112.518 175.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.0 m -62.06 -33.02 73.62 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 123.972 0.909 . . . . 62.23 111.97 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tt -72.67 -44.16 62.17 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.02 0.928 . . . . 75.32 109.854 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' A' ' 115' ' ' ILE . 97.2 m-85 -74.5 -26.09 59.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.974 -0.557 . . . . 72.24 111.266 177.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 52.9 mm-40 -59.89 -34.74 73.58 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.641 0.376 . . . . 75.5 110.887 169.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.573 HD23 HG23 ' B' ' 50' ' ' ILE . 96.4 mt -68.43 -34.36 75.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.333 0.653 . . . . 50.31 111.43 174.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 54.4 mt -70.7 -42.34 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 C-N-CA 123.63 0.772 . . . . 75.05 110.089 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.46 -36.53 84.18 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.981 0.913 . . . . 75.11 110.469 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.97 -33.39 59.77 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.547 0.739 . . . . 71.12 110.86 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.3 -31.87 70.65 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.783 0.433 . . . . 63.52 111.035 177.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -79.78 -42.43 24.48 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.561 0.744 . . . . 63.41 110.294 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -66.76 -37.69 85.1 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.513 0.725 . . . . 63.43 111.243 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.432 HD12 HG11 ' B' ' 54' ' ' VAL . 74.1 mt -93.23 -3.99 52.73 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.279 0.632 . . . . 73.42 111.017 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.415 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 9.8 t70 60.87 26.13 16.02 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.298 1.439 . . . . 62.13 111.697 173.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.591 HG12 ' HA ' ' B' ' 24' ' ' SER . 14.3 mt -81.36 89.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 108.472 -0.936 . . . . 63.34 108.472 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -58.67 -42.6 95.22 Favored Pre-proline 0 CA--C 1.564 1.489 0 C-N-CA 124.252 1.021 . . . . 73.15 113.497 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . 0.424 ' O ' HG23 ' B' ' 106' ' ' VAL . 18.1 Cg_endo -59.6 -40.98 60.54 Favored 'Trans proline' 0 C--N 1.39 2.712 0 CA-C-N 121.641 1.622 . . . . 53.41 112.876 175.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 62.4 tp -66.19 -44.37 84.14 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.105 0.562 . . . . 75.33 110.312 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -54.59 -45.97 73.68 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.388 1.055 . . . . 61.03 110.238 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.46 -47.61 78.41 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.351 1.032 . . . . 63.54 111.315 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 102' ' ' PRO . 72.8 t -57.87 -49.18 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.181 0.593 . . . . 61.1 110.765 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 8.9 m -70.27 -30.76 67.87 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 123.323 0.649 . . . . 71.33 111.926 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.8 -29.44 63.26 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.585 0.754 . . . . 74.54 111.182 176.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -74.19 -40.1 62.74 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.932 0.493 . . . . 54.05 109.711 174.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.2 m -58.96 -49.71 76.83 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 123.458 0.703 . . . . 72.52 111.57 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 30.9 m -63.37 -37.8 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.371 0.268 . . . . 74.21 111.014 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.49 -28.81 68.86 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.563 0.745 . . . . 53.45 111.393 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.29 -34.4 42.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.965 0.906 . . . . 70.35 111.696 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . 0.403 ' HB2' ' HE2' ' B' ' 114' ' ' MET . 51.4 mtm -70.76 -39.03 73.5 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 121.09 0.471 . . . . 74.0 110.588 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.8 pt -89.14 -1.38 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.683 0.793 . . . . 72.11 111.642 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 . . . . . 0 N--CA 1.476 0.841 0 C-N-CA 123.479 0.712 . . . . 71.11 111.593 -170.031 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 mt . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 110.465 -0.198 . . . . 73.22 110.465 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.8 m -83.65 126.11 40.15 Favored 'Isoleucine or valine' 0 C--O 1.244 0.816 0 N-CA-C 108.767 -0.827 . . . . 71.35 108.767 170.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HD2' ' HG3' ' A' ' 40' ' ' PRO . 91.3 mttt -90.35 88.58 7.25 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.552 -0.749 . . . . 71.33 109.987 -173.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.4 mt -83.54 94.45 8.05 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.458 -0.792 . . . . 74.51 109.727 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -79.27 133.73 36.65 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.151 -0.685 . . . . 74.1 109.151 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 p -84.75 176.57 8.46 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.739 0.815 . . . . 62.42 111.037 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.6 p -68.93 -22.84 64.12 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.722 0.809 . . . . 62.55 110.98 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -84.76 5.69 27.4 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 124.47 1.108 . . . . 74.32 110.855 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 67.57 20.41 9.69 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.599 1.56 . . . . 74.43 112.954 173.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -88.05 122.35 31.53 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 109.344 -0.613 . . . . 73.51 109.344 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -91.03 105.26 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.181 0.993 . . . . 74.05 109.964 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -93.25 102.18 14.46 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.642 0.777 . . . . 74.43 109.229 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 34.4 mt-10 -82.87 78.6 9.44 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 123.699 0.8 . . . . 72.14 109.597 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.58 HD12 ' HB3' ' A' ' 55' ' ' LEU . 13.8 tt -93.85 150.12 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.133 0.973 . . . . 74.31 109.392 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 138.86 58.63 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.374 0.669 . . . . 64.4 109.955 -178.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.61 -37.74 79.39 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.755 0.659 . . . . 75.14 111.419 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -54.23 -36.97 64.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.793 0.837 . . . . 73.04 111.628 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.0 mt -78.09 -38.81 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.392 -0.822 . . . . 64.23 109.9 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.47 -9.47 58.61 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.035 0.934 . . . . 13.43 112.514 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -70.65 -32.34 69.6 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.054 0.542 . . . . 51.52 110.842 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.5 mtm -63.57 -31.29 72.41 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.338 0.589 . . . . 73.22 110.365 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.429 ' HA ' HG12 ' A' ' 100' ' ' ILE . 33.1 t -76.08 104.85 6.81 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.705 -1.134 . . . . 64.31 108.193 168.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.8 -38.07 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.589 0.556 . . . . 74.12 111.682 -171.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.8 m -64.37 -42.73 96.02 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.384 0.273 . . . . 72.43 111.219 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.418 ' O ' HG13 ' A' ' 31' ' ' ILE . 87.1 mt -67.17 -45.25 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.133 0.573 . . . . 73.3 110.042 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -56.21 -44.59 79.65 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.859 0.864 . . . . 74.4 110.43 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -68.01 -32.51 72.94 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.132 -0.94 . . . . 72.11 111.329 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.1 mtt -68.57 -36.98 79.49 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 123.77 0.669 . . . . 73.24 110.683 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 27' ' ' ILE . 83.7 mt -64.18 -46.2 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.19 -0.67 . . . . 70.44 109.19 176.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.66 -32.23 71.92 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.847 0.859 . . . . 64.2 111.568 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.59 -43.86 79.52 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.567 1.147 . . . . 62.43 110.747 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -80.03 -20.88 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 124.387 1.075 . . . . 74.23 110.205 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.86 -46.7 1.37 Allowed Glycine 0 C--N 1.346 1.118 0 N-CA-C 110.049 -1.221 . . . . 64.51 110.049 -172.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -162.19 108.67 1.29 Allowed 'General case' 0 C--O 1.244 0.815 0 C-N-CA 124.885 1.274 . . . . 74.05 107.914 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.0 m -75.64 80.27 2.62 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.637 0.732 . . . . 63.12 109.821 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.89 -35.98 57.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 114.808 -1.087 . . . . 60.15 109.61 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 p -78.47 149.52 75.33 Favored Pre-proline 0 CA--C 1.555 1.154 0 CA-C-N 115.131 -0.941 . . . . 55.52 111.003 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.494 ' HG3' ' HD2' ' A' ' 5' ' ' LYS . 52.5 Cg_exo -57.45 130.3 38.38 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 123.163 2.576 . . . . 74.35 112.238 175.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mm -91.46 109.05 33.46 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 123.307 0.643 . . . . 71.01 109.346 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.96 129.83 10.9 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.675 2.25 . . . . 52.22 110.551 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.2 mt -114.63 93.35 32.57 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 108.067 -1.086 . . . . 62.13 108.067 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -82.33 35.57 0.58 Allowed 'Trans proline' 0 C--N 1.381 2.238 0 C-N-CA 123.493 2.795 . . . . 73.15 112.748 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -133.38 -66.44 0.65 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.308 1.043 . . . . 74.42 108.872 -174.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -79.78 126.47 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-N 115.625 -0.716 . . . . 74.31 110.28 -175.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.3 p -73.54 169.48 17.15 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.518 0.727 . . . . 72.11 111.034 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -62.11 -45.17 94.67 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.543 0.737 . . . . 71.21 111.694 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 35.8 p -57.03 -51.15 70.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 124.4 1.063 . . . . 73.03 111.236 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.55 HG23 HD23 ' A' ' 91' ' ' LEU . 51.5 mm -73.18 -42.7 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 115.996 -0.547 . . . . 72.55 110.725 -175.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 tp -62.55 -35.37 79.23 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.15 0.58 . . . . 75.45 110.56 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.44 -47.11 87.21 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.36 0.664 . . . . 62.21 110.102 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HE2' HG11 ' A' ' 83' ' ' VAL . 27.5 mtpp -64.68 -45.59 86.01 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.25 0.968 . . . . 62.41 111.643 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -63.6 -46.01 96.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.336 -0.847 . . . . 71.31 110.295 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.58 ' HB3' HD12 ' A' ' 16' ' ' ILE . 71.2 mt -72.95 -30.79 64.13 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.909 -0.587 . . . . 71.31 111.527 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.17 -36.83 69.38 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.277 0.631 . . . . 73.15 110.279 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -69.74 -32.49 71.06 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.046 -0.524 . . . . 62.52 109.923 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 90.6 m -68.51 -35.11 77.02 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.951 -0.568 . . . . 40.21 110.613 173.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 64.1 mtm180 -68.53 -34.75 76.41 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.942 0.497 . . . . 73.34 110.213 173.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -58.51 -50.42 73.82 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 124.102 0.876 . . . . 62.01 109.593 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.55 -24.37 61.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.163 0.585 . . . . 74.34 111.503 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -73.3 -48.67 32.65 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.248 0.547 . . . . 74.34 111.057 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -96.54 -19.24 19.23 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.789 -1.096 . . . . 72.3 110.846 -169.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 107.498 -1.297 . . . . 70.01 107.498 170.197 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 CA--C 1.562 1.407 0 N-CA-C 110.834 -0.061 . . . . 71.03 110.834 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.7 158.0 25.75 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 123.133 2.555 . . . . 70.13 112.919 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -45.12 -49.95 9.41 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 124.206 3.271 . . . . 72.33 113.961 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.63 -40.22 68.73 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.498 0.719 . . . . 74.35 111.795 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.57 -35.64 75.55 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.773 0.67 . . . . 72.51 111.126 -175.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -62.67 -53.36 55.59 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.513 0.508 . . . . 60.11 109.804 170.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -62.03 -31.17 71.53 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.841 0.856 . . . . 72.13 111.93 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.03 -42.44 89.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.149 0.979 . . . . 74.23 109.733 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 67.1 m -75.63 -26.67 57.95 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.886 -1.052 . . . . 53.02 111.275 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -81.52 74.65 8.51 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.266 0.626 . . . . 64.24 109.708 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.594 HG11 ' HE2' ' A' ' 53' ' ' LYS . 31.2 m -125.79 169.09 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.625 1.17 . . . . 52.14 109.002 175.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -67.86 160.56 28.15 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.565 0.746 . . . . 74.54 111.087 -173.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -54.19 -51.58 76.29 Favored Pre-proline 0 CA--C 1.567 1.621 0 C-N-CA 124.281 1.032 . . . . 72.21 113.3 -173.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.444 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 38.2 Cg_endo -64.81 -35.33 45.72 Favored 'Trans proline' 0 C--N 1.39 2.751 0 C-N-CA 121.733 1.622 . . . . 73.45 112.259 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.9 m -61.88 -32.73 73.12 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.14 0.976 . . . . 65.35 111.883 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.63 -48.69 78.73 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.113 0.965 . . . . 74.31 110.552 173.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -69.16 -30.45 68.68 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.748 -0.66 . . . . 75.24 111.537 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 12.8 mm-40 -63.51 -39.6 94.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.965 0.506 . . . . 73.33 110.65 175.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.55 HD23 HG23 ' A' ' 50' ' ' ILE . 96.3 mt -69.02 -34.86 75.93 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.456 -0.793 . . . . 74.31 110.853 175.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 82.0 mt -66.83 -44.53 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.581 0.752 . . . . 74.14 110.265 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.54 -41.02 89.33 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.736 0.814 . . . . 74.24 110.712 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.93 -38.06 72.89 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.679 0.791 . . . . 63.24 111.601 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.483 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.2 -28.69 63.35 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.276 0.63 . . . . 52.42 111.653 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -78.86 -38.46 37.78 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.896 0.478 . . . . 74.54 109.756 173.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -64.37 -43.82 93.29 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.786 0.835 . . . . 65.1 111.815 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.2 -8.78 35.21 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.777 0.831 . . . . 64.15 111.69 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.8 t0 50.16 68.94 0.67 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.73 1.212 . . . . 72.11 110.968 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.429 HG12 ' HA ' ' A' ' 24' ' ' SER . 30.4 mt -117.99 92.71 2.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 107.092 -1.447 . . . . 73.13 107.092 172.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.94 -35.89 14.46 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 118.219 -0.896 . . . . 74.2 113.042 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -50.76 -33.5 40.75 Favored 'Trans proline' 0 C--N 1.397 3.114 0 C-N-CA 122.255 1.97 . . . . 64.13 113.768 166.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -80.28 -50.9 9.57 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 109.287 -0.635 . . . . 74.32 109.287 176.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.9 -51.52 69.33 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.554 1.142 . . . . 40.32 111.721 -170.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.72 -39.29 93.4 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 124.591 1.182 . . . . 74.14 111.611 -173.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.51 -45.19 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.51 0.724 . . . . 75.52 110.762 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.7 m -69.05 -31.06 69.56 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 122.832 0.453 . . . . 73.4 110.943 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 85.2 m -70.28 -33.43 71.56 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.631 0.772 . . . . 72.23 110.729 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -69.94 -39.73 75.91 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.069 0.548 . . . . 72.23 110.133 174.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.8 m -61.12 -52.9 62.94 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.829 0.706 . . . . 60.24 111.154 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -67.03 -32.63 58.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.626 -0.715 . . . . 75.44 111.189 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.62 86.9 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.206 0.602 . . . . 63.04 110.824 175.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -67.78 -25.69 65.73 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.561 0.744 . . . . 65.4 111.759 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 38.9 mtm -69.88 -48.69 57.77 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.899 0.381 . . . . 65.5 110.634 176.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 43.9 pt -85.14 -4.89 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-N 115.606 -0.724 . . . . 73.22 112.235 -177.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -63.41 96.2 0.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.963 1.305 . . . . 74.44 111.112 -176.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 CA-C-O 118.59 -1.117 . . . . 65.11 110.718 173.521 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 110.429 -0.211 . . . . 73.02 110.429 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -75.95 116.91 17.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.81 0.444 . . . . 75.22 110.378 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -82.57 126.1 39.98 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 N-CA-C 108.76 -0.83 . . . . 73.05 108.76 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.47 ' HD2' ' HG3' ' B' ' 40' ' ' PRO . 91.2 mttt -90.91 87.71 6.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.452 -0.794 . . . . 72.52 109.785 -172.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.15 94.61 7.88 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.176 -0.92 . . . . 72.14 109.577 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -79.21 133.92 36.68 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.097 -0.705 . . . . 74.34 109.097 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.0 p -85.67 175.99 8.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.786 0.835 . . . . 65.31 111.014 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.9 p -68.12 -23.13 64.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.699 0.799 . . . . 55.25 110.935 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -84.24 5.24 27.37 Favored 'General case' 0 CA--C 1.563 1.463 0 C-N-CA 124.395 1.078 . . . . 73.24 110.693 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 68.43 19.9 8.7 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.793 1.637 . . . . 73.21 112.885 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -88.32 121.85 31.17 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 109.474 -0.565 . . . . 72.33 109.474 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.7 t -90.41 107.15 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.21 1.004 . . . . 73.44 109.524 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.37 102.29 14.09 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 123.878 0.871 . . . . 65.45 109.133 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -83.02 77.54 9.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.753 0.821 . . . . 71.1 109.344 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' B' ' 55' ' ' LEU . 13.3 tt -92.91 151.17 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.629 0.772 . . . . 73.11 109.462 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.16 138.42 58.26 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.738 0.815 . . . . 63.34 109.754 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.424 ' HE3' HG21 ' B' ' 31' ' ' ILE . 81.0 tttt -59.09 -37.94 78.34 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.302 0.641 . . . . 72.15 111.259 -177.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.92 -35.95 64.71 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.997 0.919 . . . . 74.41 111.795 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 mt -78.87 -38.43 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 115.276 -0.874 . . . . 65.1 109.748 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.64 -9.47 58.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.026 0.93 . . . . 62.5 112.527 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.8 m -70.65 -31.75 68.79 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.075 0.55 . . . . 51.22 110.846 172.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 33.5 mtm -64.06 -31.22 72.33 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 121.248 0.547 . . . . 64.24 110.346 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.432 ' HA ' HG12 ' B' ' 100' ' ' ILE . 33.4 t -76.63 105.5 7.73 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.096 -1.076 . . . . 63.52 108.096 169.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 63.2 t -67.37 -37.8 79.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 123.112 0.565 . . . . 63.42 111.604 -171.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.6 m -64.07 -43.41 95.54 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 122.515 0.326 . . . . 72.21 111.134 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.409 ' O ' HG13 ' B' ' 31' ' ' ILE . 86.2 mt -66.82 -45.01 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.166 0.586 . . . . 75.12 110.159 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -56.66 -44.71 81.65 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.716 0.806 . . . . 72.12 110.4 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -67.57 -32.64 73.53 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.221 -0.9 . . . . 72.11 111.222 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.7 mtt -68.05 -37.43 81.32 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.037 0.535 . . . . 74.42 110.712 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.424 HG21 ' HE3' ' B' ' 18' ' ' LYS . 83.1 mt -64.24 -45.6 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 109.386 -0.598 . . . . 64.52 109.386 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -69.54 -31.2 69.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.692 0.797 . . . . 74.41 111.535 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.53 -44.33 74.82 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.145 0.978 . . . . 61.22 110.592 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 72.5 mt -78.39 -24.08 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 124.537 1.135 . . . . 63.35 110.011 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.19 -43.02 1.77 Allowed Glycine 0 C--N 1.348 1.207 0 N-CA-C 110.394 -1.082 . . . . 62.03 110.394 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -165.07 108.97 0.87 Allowed 'General case' 0 C--O 1.24 0.569 0 C-N-CA 125.2 1.4 . . . . 61.42 107.761 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.425 ' HB3' HD11 ' B' ' 41' ' ' ILE . 50.8 m -75.98 80.24 2.85 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 121.24 0.543 . . . . 60.44 110.226 174.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -76.74 -37.28 56.25 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.074 -0.966 . . . . 75.42 109.581 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -76.6 149.02 80.63 Favored Pre-proline 0 CA--C 1.553 1.091 0 CA-C-N 115.031 -0.986 . . . . 65.33 110.928 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.47 ' HG3' ' HD2' ' B' ' 5' ' ' LYS . 52.0 Cg_exo -56.31 131.49 46.12 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.074 2.516 . . . . 74.35 112.445 175.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' B' ' 37' ' ' SER . 49.4 mm -92.25 107.9 26.78 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 123.297 0.639 . . . . 71.32 109.529 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.03 129.46 11.46 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.659 2.239 . . . . 54.45 110.601 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.9 mt -114.77 93.47 33.72 Favored Pre-proline 0 CA--C 1.549 0.928 0 N-CA-C 108.193 -1.04 . . . . 61.02 108.193 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.04 34.12 0.54 Allowed 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.722 2.948 . . . . 74.11 112.974 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -132.52 -65.2 0.73 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.295 1.038 . . . . 70.41 109.198 -174.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.5 126.36 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 115.549 -0.75 . . . . 71.25 110.24 -175.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 39.2 p -73.37 169.84 16.31 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.599 0.76 . . . . 74.11 110.888 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 59.8 p -61.68 -46.54 89.27 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.429 0.691 . . . . 71.22 111.489 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.418 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 33.9 p -56.85 -50.04 73.65 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 124.621 1.201 . . . . 73.43 111.248 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.536 HG23 HD23 ' B' ' 91' ' ' LEU . 51.0 mm -73.4 -42.89 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.016 -0.538 . . . . 74.4 110.709 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -62.65 -34.85 77.9 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.095 0.558 . . . . 74.14 110.624 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.62 -47.16 86.67 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.524 0.73 . . . . 74.44 109.895 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.579 ' HE2' HG11 ' B' ' 83' ' ' VAL . 27.8 mtpp -65.52 -45.18 84.5 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 124.3 1.0 . . . . 61.41 111.332 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.7 t -63.63 -46.09 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 O-C-N 123.996 0.81 . . . . 73.41 110.352 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.561 ' HB3' HD12 ' B' ' 16' ' ' ILE . 69.7 mt -72.7 -31.04 64.72 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.206 0.602 . . . . 64.44 111.281 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -71.53 -37.92 71.11 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.584 0.754 . . . . 70.43 110.432 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.83 -32.72 72.62 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.093 -0.503 . . . . 74.33 110.068 174.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 92.3 m -68.26 -35.36 77.77 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.817 -0.629 . . . . 64.23 110.71 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 63.2 mtm180 -68.38 -34.98 77.02 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.096 0.558 . . . . 73.45 110.202 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -58.77 -50.22 74.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.791 0.837 . . . . 73.53 109.383 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -71.68 -26.49 62.54 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 123.895 0.747 . . . . 74.53 111.299 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -71.6 -49.32 41.45 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.21 0.604 . . . . 73.42 110.965 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -95.16 -19.6 19.94 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.048 -0.978 . . . . 51.34 110.878 -169.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 . . . . . 0 CA--C 1.551 0.981 0 N-CA-C 107.43 -1.322 . . . . 71.13 107.43 171.482 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 CA--C 1.564 1.485 0 CA-C-O 119.926 -0.083 . . . . 71.21 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -58.49 158.53 22.9 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 123.268 2.646 . . . . 73.24 113.056 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -45.8 -50.07 10.09 Favored 'Trans proline' 0 C--N 1.391 2.801 0 C-N-CA 123.836 3.024 . . . . 75.33 113.782 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -53.99 -41.04 67.48 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 123.918 0.761 . . . . 73.13 112.084 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.76 -35.92 77.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.298 0.639 . . . . 74.32 111.171 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.42 -53.52 53.74 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.597 0.561 . . . . 74.1 109.998 171.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -62.1 -31.01 71.41 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 123.939 0.774 . . . . 74.02 112.18 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -66.31 -42.12 88.73 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.01 0.924 . . . . 74.5 109.918 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 66.9 m -75.45 -27.08 58.77 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.905 -1.043 . . . . 65.01 111.207 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -81.38 75.67 8.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.185 0.594 . . . . 61.41 109.784 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.579 HG11 ' HE2' ' B' ' 53' ' ' LYS . 31.3 m -126.55 170.36 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.494 1.118 . . . . 62.11 109.144 175.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -68.72 159.99 31.19 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.172 0.589 . . . . 64.43 110.893 -174.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -53.74 -51.6 75.07 Favored Pre-proline 0 CA--C 1.564 1.496 0 C-N-CA 124.434 1.094 . . . . 65.31 113.377 -173.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.43 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 39.1 Cg_endo -64.52 -35.62 47.56 Favored 'Trans proline' 0 C--N 1.39 2.719 0 C-N-CA 121.523 1.482 . . . . 63.41 112.251 175.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 9.8 m -62.5 -32.36 73.26 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 124.079 0.951 . . . . 62.25 111.863 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 64.3 mt -57.4 -48.72 78.35 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.128 0.971 . . . . 51.13 110.532 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -69.05 -30.76 69.17 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.74 -0.664 . . . . 71.2 111.677 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 21.2 mm-40 -63.6 -39.51 94.55 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.132 0.573 . . . . 74.53 110.78 175.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.536 HD23 HG23 ' B' ' 50' ' ' ILE . 96.3 mt -68.91 -34.96 76.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.579 0.752 . . . . 71.44 110.605 175.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 82.0 mt -66.8 -44.51 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.662 0.785 . . . . 64.41 110.224 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.27 -41.72 89.48 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.825 0.85 . . . . 64.32 110.659 -178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.49 -38.0 74.3 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.732 0.813 . . . . 65.24 111.569 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.487 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -72.21 -28.58 63.27 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.421 0.688 . . . . 71.22 111.797 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -79.0 -38.3 37.04 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.036 0.534 . . . . 74.32 110.028 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.68 -42.31 91.44 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.409 1.083 . . . . 71.12 111.735 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 97.2 mt -96.35 -9.37 30.2 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.514 0.726 . . . . 74.33 111.605 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 38.9 t0 51.31 68.18 0.83 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.9 1.28 . . . . 73.23 111.242 -174.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.432 HG12 ' HA ' ' B' ' 24' ' ' SER . 30.9 mt -117.96 92.23 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 106.958 -1.497 . . . . 72.24 106.958 173.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.34 -36.46 19.11 Favored Pre-proline 0 CA--C 1.561 1.386 0 C-N-CA 124.103 0.961 . . . . 73.14 113.013 177.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -50.45 -33.51 38.31 Favored 'Trans proline' 0 C--N 1.398 3.158 0 C-N-CA 122.324 2.016 . . . . 75.41 113.993 166.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' B' ' 95' ' ' ALA . 0.8 OUTLIER -80.39 -50.91 9.48 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.231 -0.655 . . . . 72.44 109.231 177.005 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.39 -51.94 67.76 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.591 1.156 . . . . 65.32 111.828 -171.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.07 -38.69 91.6 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 124.415 1.072 . . . . 61.23 111.451 -173.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.79 -45.33 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.504 0.722 . . . . 65.53 110.546 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.7 m -69.01 -31.03 69.56 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.968 0.507 . . . . 63.34 110.953 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.25 -33.23 71.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.639 0.776 . . . . 74.45 110.642 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -70.7 -38.79 73.7 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.905 0.482 . . . . 61.31 110.244 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 28.8 m -61.77 -52.86 62.5 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.869 0.73 . . . . 60.24 111.131 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.79 -32.54 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.675 -0.693 . . . . 74.35 111.248 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.5 85.83 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 123.225 0.61 . . . . 72.11 110.662 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -66.66 -25.86 66.77 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.56 0.744 . . . . 52.41 111.78 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 41.7 mtm -70.02 -48.75 56.76 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 120.958 0.408 . . . . 72.12 110.481 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.0 pt -85.52 -3.81 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 115.683 -0.689 . . . . 73.15 111.827 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 . . . . . 0 N--CA 1.474 0.772 0 C-N-CA 124.74 1.216 . . . . 61.24 110.979 -177.803 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.475 0.179 . . . . 74.5 111.021 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.6 m -103.86 143.81 15.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 N-CA-C 108.474 -0.936 . . . . 75.2 108.474 164.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 90.5 mttt -94.75 121.67 36.57 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 109.543 -0.54 . . . . 64.11 109.543 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 mt -116.15 91.09 3.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.716 0.806 . . . . 71.41 109.237 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.58 ' HG3' HG22 ' A' ' 13' ' ' VAL . 2.3 mp0 -74.85 119.17 18.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.622 -0.51 . . . . 73.12 109.622 176.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.2 p -66.32 178.7 1.13 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.832 0.453 . . . . 75.11 110.986 170.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -62.79 -29.34 70.64 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.925 0.49 . . . . 72.33 110.491 173.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -83.8 8.67 14.03 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.163 0.985 . . . . 61.44 111.179 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 70.74 7.13 6.11 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.245 1.418 . . . . 71.44 113.295 172.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -71.46 121.52 18.78 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.33 -0.619 . . . . 53.01 109.33 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.58 HG22 ' HG3' ' A' ' 7' ' ' GLU . 34.7 t -86.86 96.39 5.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 C-N-CA 124.394 1.077 . . . . 75.41 109.489 -173.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -82.39 87.5 6.61 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.503 0.721 . . . . 74.13 109.773 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.504 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 34.6 mt-10 -78.08 88.94 4.19 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.941 -1.027 . . . . 74.11 109.061 176.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 tt -119.9 156.03 22.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.07 0.948 . . . . 75.4 108.729 -173.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.96 139.2 56.97 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.969 0.507 . . . . 64.42 110.725 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -58.63 -31.91 68.54 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 124.08 0.862 . . . . 74.3 110.738 -178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.09 -40.73 90.58 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.738 0.815 . . . . 72.33 111.753 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.551 HD13 ' HA ' ' A' ' 59' ' ' ARG . 24.6 mt -76.19 -34.71 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 115.516 -0.765 . . . . 63.34 109.975 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.496 ' HB1' HG21 ' A' ' 27' ' ' ILE . . . -67.86 -28.96 67.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.716 -0.675 . . . . 43.24 111.438 174.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.1 m -75.84 -23.15 55.71 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.371 0.668 . . . . 63.13 111.449 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.8 mtp -62.45 -25.38 67.94 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 122.909 0.484 . . . . 64.54 110.416 171.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.415 ' HA ' HG12 ' A' ' 100' ' ' ILE . 48.8 m -76.73 115.26 16.34 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.275 -1.009 . . . . 75.2 108.275 161.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.79 -31.84 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.313 0.645 . . . . 64.13 110.414 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.8 m -68.0 -47.13 69.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.96 0.504 . . . . 74.44 111.172 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.496 HG21 ' HB1' ' A' ' 21' ' ' ALA . 1.7 mp -72.49 -34.96 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.245 -0.65 . . . . 60.32 109.245 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -56.11 -51.5 67.67 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.462 0.705 . . . . 71.24 110.192 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -61.68 -39.46 91.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 115.168 -0.924 . . . . 74.34 111.043 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.52 ' O ' HG12 ' A' ' 34' ' ' ILE . 60.2 mtt -60.25 -55.6 31.8 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.06 0.544 . . . . 54.12 110.418 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.9 -48.37 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.528 0.731 . . . . 73.31 110.526 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.36 -36.14 73.98 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.739 0.416 . . . . 74.13 111.984 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -67.67 -37.85 82.92 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 123.519 0.728 . . . . 71.5 110.987 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 30' ' ' MET . 48.0 mm -72.98 -39.42 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 115.791 -0.64 . . . . 71.13 109.39 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.28 23.24 8.15 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 115.717 -0.674 . . . . 53.52 112.691 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 72.28 126.32 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.063 1.745 . . . . 74.15 110.674 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.9 m -144.09 159.29 42.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.688 0.756 . . . . 71.45 111.374 -175.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.91 -12.76 60.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.12 -1.4 . . . . 73.13 110.831 175.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m -63.45 131.79 94.94 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.048 0.939 . . . . 74.24 110.816 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 44.6 Cg_endo -68.56 160.23 50.19 Favored 'Trans proline' 0 C--N 1.373 1.86 0 C-N-CA 122.595 2.197 . . . . 74.11 111.54 171.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.0 mm -107.94 95.87 16.06 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 108.931 -0.766 . . . . 73.51 108.931 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -78.89 131.08 9.88 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.016 1.811 . . . . 72.02 111.262 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 mt -108.93 87.79 4.91 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.872 1.269 . . . . 54.35 108.74 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.83 -5.95 14.91 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 123.131 2.554 . . . . 74.32 113.571 -171.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.7 -41.66 20.99 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.37 0.668 . . . . 74.2 110.567 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -101.81 136.65 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 123.234 0.614 . . . . 62.5 110.445 -173.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.8 p -80.1 171.91 14.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.447 0.699 . . . . 75.33 110.732 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.0 p -64.69 -47.59 77.81 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.624 0.77 . . . . 64.2 111.966 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.2 p -61.02 -36.57 79.87 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.292 1.037 . . . . 71.4 112.324 -176.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.532 HG23 HD23 ' A' ' 91' ' ' LEU . 42.4 mm -81.05 -47.18 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 115.845 -0.616 . . . . 64.51 109.899 -178.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.1 -30.45 71.61 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.832 0.853 . . . . 74.32 111.042 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.18 -51.26 68.53 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 123.478 0.711 . . . . 63.54 110.794 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.505 ' HD2' HD21 ' A' ' 91' ' ' LEU . 36.3 mttm -63.83 -41.88 97.76 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 123.986 0.804 . . . . 54.11 110.549 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.654 HG13 ' HG ' ' A' ' 103' ' ' LEU . 75.5 t -60.83 -51.07 77.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 114.728 -1.124 . . . . 44.42 110.348 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.3 mt -72.42 -28.71 63.14 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.779 -0.646 . . . . 62.14 111.772 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.88 -51.37 48.9 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.963 0.905 . . . . 75.33 110.668 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -59.57 -48.53 81.29 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.74 -0.664 . . . . 73.13 110.413 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.679 ' SG ' HG21 ' A' ' 100' ' ' ILE . 78.7 m -65.18 -31.88 73.28 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.056 0.848 . . . . 73.55 111.731 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.551 ' HA ' HD13 ' A' ' 20' ' ' ILE . 55.8 ttp180 -64.22 -51.35 64.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.464 0.705 . . . . 54.22 110.204 175.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -63.82 -34.62 78.33 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.888 0.875 . . . . 75.23 111.405 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -76.34 -19.02 58.61 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.305 0.642 . . . . 71.42 110.007 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -82.81 -30.67 28.64 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.926 0.491 . . . . 70.11 110.136 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 24.8 mm-40 -70.32 -35.43 73.64 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.588 -0.523 . . . . 64.21 109.588 176.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 CA--C 1.545 0.764 0 N-CA-C 108.329 -0.989 . . . . 74.12 108.329 175.013 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.4 mm . . . . . 0 CA--C 1.551 0.987 0 N-CA-C 110.01 -0.367 . . . . 64.31 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.79 127.29 18.37 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 122.275 1.983 . . . . 75.34 111.34 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -50.93 -26.54 18.52 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.434 2.756 . . . . 72.33 113.114 172.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -53.19 -49.27 67.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.211 1.404 . . . . 75.01 111.906 175.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.26 -39.01 93.4 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.207 1.003 . . . . 74.32 111.163 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -72.83 -33.6 66.27 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.074 -0.967 . . . . 64.11 110.418 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 60.5 m-20 -79.5 -22.58 43.82 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.464 -0.789 . . . . 73.53 111.615 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.57 -33.42 75.88 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.311 0.645 . . . . 71.54 109.827 170.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.1 m -70.88 -11.48 60.99 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.138 -0.937 . . . . 72.32 112.505 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 32.1 mmtp -82.17 74.01 9.18 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.518 -0.549 . . . . 74.11 109.518 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.415 HG11 HD11 ' A' ' 91' ' ' LEU . 24.5 m -131.71 171.51 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.754 1.222 . . . . 72.11 108.561 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.67 156.78 38.43 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.04 -0.356 . . . . 72.44 110.04 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.462 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -55.76 -51.79 77.49 Favored Pre-proline 0 CA--C 1.568 1.659 0 C-N-CA 124.099 0.96 . . . . 75.43 111.058 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 22.3 Cg_exo -68.51 -39.85 8.74 Favored 'Trans proline' 0 C--N 1.387 2.594 0 C-N-CA 121.649 1.566 . . . . 61.4 112.405 176.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.6 m -57.36 -32.05 66.38 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.336 1.054 . . . . 74.02 111.763 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.91 -46.54 89.03 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.979 1.312 . . . . 55.33 109.526 177.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.43 ' HD1' HD12 ' A' ' 92' ' ' ILE . 28.7 m-85 -73.18 -30.63 63.68 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.594 -0.73 . . . . 72.01 111.643 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -60.77 -35.77 77.28 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.456 0.473 . . . . 72.21 110.708 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.532 HD23 HG23 ' A' ' 50' ' ' ILE . 96.0 mt -68.69 -34.36 75.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.54 0.736 . . . . 63.41 111.323 176.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.43 HD12 ' HD1' ' A' ' 89' ' ' PHE . 43.7 mt -69.9 -41.49 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 123.171 0.588 . . . . 65.13 110.137 175.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.26 -38.98 92.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.828 0.851 . . . . 71.4 110.498 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.84 -34.52 64.56 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.731 0.812 . . . . 63.32 110.935 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -70.21 -29.79 66.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.404 0.682 . . . . 75.53 111.46 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -79.89 -42.06 24.93 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.802 0.841 . . . . 72.45 110.004 173.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -63.22 -36.14 82.65 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.848 0.859 . . . . 74.42 111.58 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.562 HD12 HG11 ' A' ' 54' ' ' VAL . 60.3 mt -95.61 -19.54 19.68 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.087 0.555 . . . . 74.43 110.572 177.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.6 t0 50.38 68.37 0.77 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.402 1.481 . . . . 70.54 111.932 -174.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.679 HG21 ' SG ' ' A' ' 58' ' ' CYS . 25.8 mt -104.46 114.89 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 107.494 -1.299 . . . . 71.31 107.494 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -63.41 -48.75 81.3 Favored Pre-proline 0 CA--C 1.563 1.457 0 CA-C-O 118.603 -0.713 . . . . 74.31 112.743 -171.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.03 -44.02 26.86 Favored 'Trans proline' 0 C--N 1.392 2.833 0 C-N-CA 121.874 1.716 . . . . 62.12 113.21 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.654 ' HG ' HG13 ' A' ' 54' ' ' VAL . 1.6 tm? -63.96 -51.04 66.23 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.347 0.659 . . . . 64.43 109.668 -175.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.85 -44.64 91.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 114.994 -1.003 . . . . 72.32 110.769 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 23.9 t70 -65.01 -51.23 62.79 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.365 -0.834 . . . . 53.41 110.903 -175.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.82 -46.18 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.627 0.771 . . . . 64.44 111.397 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 13.2 m -72.16 -32.47 66.9 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.204 0.602 . . . . 71.51 111.945 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 98.3 m -70.93 -39.35 72.7 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.804 0.442 . . . . 65.21 110.185 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 105' ' ' ASP . 1.5 mptm? -67.25 -30.38 70.26 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.586 0.755 . . . . 73.11 110.872 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.2 m -57.35 -45.76 84.03 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.013 0.525 . . . . 74.04 110.543 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.0 t -71.42 -40.88 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.301 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.27 -30.33 71.05 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.224 -0.898 . . . . 73.53 111.353 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -70.89 -34.52 71.67 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.67 0.788 . . . . 71.41 110.907 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 42.2 mtm -69.86 -33.51 72.35 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.737 0.415 . . . . 63.41 111.095 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.4 pt -99.87 -2.71 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.962 0.505 . . . . 72.51 112.043 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -57.73 -54.96 41.03 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.056 0.942 . . . . 75.32 112.367 -170.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.372 0 N-CA-C 110.152 -1.179 . . . . 51.24 110.152 -170.742 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.513 0.197 . . . . 63.32 110.5 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.0 mt -78.99 133.13 36.85 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.347 0.659 . . . . 71.13 110.88 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 29.0 m -104.89 143.45 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.318 -0.993 . . . . 72.32 108.318 164.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.551 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 91.1 mttt -94.31 121.9 36.31 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.043 0.537 . . . . 43.12 109.875 -176.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.24 91.19 3.52 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.544 0.738 . . . . 73.0 109.459 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.565 ' HG3' HG22 ' B' ' 13' ' ' VAL . 2.8 mp0 -74.45 119.48 18.7 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.522 -0.548 . . . . 75.41 109.522 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -66.83 178.95 1.19 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.754 0.421 . . . . 71.42 110.96 171.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p -62.91 -29.19 70.59 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.046 0.539 . . . . 52.31 110.505 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.22 7.79 17.94 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 124.345 1.058 . . . . 75.52 111.386 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 71.92 6.84 5.72 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 125.063 1.345 . . . . 73.25 113.502 172.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -71.12 121.51 18.42 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.506 -0.554 . . . . 70.54 109.506 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.565 HG22 ' HG3' ' B' ' 7' ' ' GLU . 38.7 t -87.29 96.65 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 124.096 0.959 . . . . 70.54 109.379 -173.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.37 86.9 6.64 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.454 0.702 . . . . 75.51 109.797 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.551 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.3 mt-10 -77.32 88.86 3.73 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.912 -1.04 . . . . 63.52 109.018 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.1 tt -119.86 155.58 22.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.936 0.894 . . . . 74.22 108.903 -173.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.98 138.75 57.36 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.192 0.597 . . . . 72.02 110.55 -177.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -58.31 -31.77 67.84 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 124.065 0.853 . . . . 72.1 110.821 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.1 -41.54 92.76 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.94 0.896 . . . . 64.12 111.556 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' B' ' 59' ' ' ARG . 24.0 mt -75.35 -34.74 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.559 0.744 . . . . 71.24 109.971 -179.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.498 ' HB1' HG21 ' B' ' 27' ' ' ILE . . . -68.02 -28.73 67.66 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.715 -0.675 . . . . 74.23 111.456 174.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 74.0 m -76.39 -21.71 55.7 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.498 0.719 . . . . 73.32 111.566 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.86 -24.89 67.92 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.928 0.491 . . . . 73.44 110.551 170.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.423 ' HA ' HG12 ' B' ' 100' ' ' ILE . 50.2 m -77.08 115.01 16.49 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 108.267 -1.012 . . . . 75.24 108.267 161.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.36 -31.87 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.134 0.574 . . . . 73.1 110.408 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -67.94 -47.03 69.81 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.155 0.582 . . . . 71.53 111.275 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.498 HG21 ' HB1' ' B' ' 21' ' ' ALA . 1.7 mp -72.86 -35.03 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 N-CA-C 109.203 -0.665 . . . . 74.22 109.203 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -56.03 -51.29 68.33 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.562 0.745 . . . . 70.31 110.058 172.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -61.65 -40.05 93.53 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.09 -0.959 . . . . 72.24 110.887 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.501 ' O ' HG12 ' B' ' 34' ' ' ILE . 60.0 mtt -59.86 -55.57 32.59 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 123.555 0.535 . . . . 70.05 110.476 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.09 -48.52 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 123.917 0.761 . . . . 34.12 110.544 -175.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.29 -35.91 74.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.293 0.37 . . . . 74.31 111.996 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.59 -38.21 83.69 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.252 0.621 . . . . 74.35 110.897 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.501 HG12 ' O ' ' B' ' 30' ' ' MET . 49.0 mm -73.54 -37.75 50.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.794 -0.639 . . . . 75.22 109.358 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.93 23.39 8.67 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 115.873 -0.603 . . . . 74.12 112.743 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 72.32 125.4 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.113 1.765 . . . . 74.15 110.272 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 74.4 m -142.56 160.48 40.21 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.598 0.713 . . . . 60.03 111.218 -175.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.91 -12.56 59.97 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.036 -1.438 . . . . 75.3 110.92 173.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.4 m -64.97 130.57 94.92 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.051 0.94 . . . . 73.5 110.814 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.53 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 41.7 Cg_endo -68.18 160.51 48.52 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.318 2.012 . . . . 71.24 111.538 172.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -107.58 95.59 14.43 Favored Pre-proline 0 CA--C 1.547 0.865 0 N-CA-C 108.979 -0.748 . . . . 44.32 108.979 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.66 129.93 9.48 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.095 1.864 . . . . 71.12 111.276 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -108.1 88.41 4.68 Favored Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 124.587 1.155 . . . . 75.32 108.919 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -79.71 -5.06 13.85 Favored 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.987 2.458 . . . . 74.13 113.655 -171.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -81.98 -41.92 20.08 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.471 0.708 . . . . 72.04 110.369 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -101.56 136.88 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.455 0.702 . . . . 64.24 110.412 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 53.3 p -80.21 171.8 14.6 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.297 0.639 . . . . 74.13 110.896 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.4 p -64.69 -47.5 78.13 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.733 0.813 . . . . 60.31 112.135 -177.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 38.0 p -61.07 -36.42 79.58 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.257 1.023 . . . . 73.31 112.053 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.52 HG23 HD23 ' B' ' 91' ' ' LEU . 42.2 mm -80.91 -47.46 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 123.21 0.604 . . . . 73.12 110.059 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.2 tp -63.28 -30.29 71.46 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.878 0.871 . . . . 64.4 111.011 -178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.03 -51.29 68.59 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.545 0.738 . . . . 71.34 110.631 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.525 ' HD2' HD21 ' B' ' 91' ' ' LEU . 37.2 mttm -63.9 -42.02 97.55 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 123.713 0.633 . . . . 75.11 110.642 -177.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.648 HG13 ' HG ' ' B' ' 103' ' ' LEU . 77.4 t -60.7 -50.74 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.68 -1.145 . . . . 73.11 110.436 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.9 -28.68 62.62 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.26 0.624 . . . . 75.12 111.864 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -68.3 -50.21 55.18 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.016 0.926 . . . . 75.33 110.897 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -60.57 -48.49 81.52 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.632 -0.713 . . . . 74.21 110.33 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.668 ' SG ' HG21 ' B' ' 100' ' ' ILE . 79.9 m -65.28 -31.55 72.74 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.921 0.763 . . . . 74.24 111.771 -178.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.553 ' HA ' HD13 ' B' ' 20' ' ' ILE . 54.7 ttp180 -64.77 -51.11 64.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.374 0.669 . . . . 74.21 110.024 175.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -63.27 -35.47 80.47 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.155 0.909 . . . . 72.21 111.496 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -75.55 -19.93 58.99 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.269 0.628 . . . . 73.53 109.882 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -82.59 -30.43 29.54 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.941 0.496 . . . . 74.31 110.07 171.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 26.0 mm-40 -70.21 -34.09 72.48 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 109.811 -0.44 . . . . 61.42 109.811 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 108.314 -0.995 . . . . 62.12 108.314 175.51 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mm . . . . . 0 CA--C 1.551 1.003 0 N-CA-C 110.201 -0.296 . . . . 72.52 110.201 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.76 128.05 20.1 Favored 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 122.221 1.947 . . . . 72.13 111.121 -176.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.6 -26.28 22.14 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 123.122 2.548 . . . . 72.11 113.293 172.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -54.13 -48.65 70.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.274 1.43 . . . . 64.33 111.834 175.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.21 -38.9 92.98 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.206 1.002 . . . . 72.34 111.098 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -72.19 -34.26 68.29 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.068 -0.969 . . . . 74.41 110.547 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.555 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 53.8 m-20 -79.55 -21.89 44.54 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.356 -0.838 . . . . 43.33 111.787 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -65.5 -33.52 76.13 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.159 0.584 . . . . 73.54 109.861 170.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.06 -10.67 60.15 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.145 -0.934 . . . . 61.23 112.632 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 32.6 mmtp -82.18 73.89 9.19 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.199 0.599 . . . . 55.52 109.708 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.423 HG11 HD11 ' B' ' 91' ' ' LEU . 29.4 m -132.75 170.29 20.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 C-N-CA 124.979 1.312 . . . . 42.25 108.313 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -69.8 157.89 36.51 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 110.019 -0.363 . . . . 71.55 110.019 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.439 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 0.9 OUTLIER -56.61 -51.85 78.03 Favored Pre-proline 0 CA--C 1.571 1.77 0 C-N-CA 123.75 0.82 . . . . 73.45 111.091 -179.347 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 21.7 Cg_exo -68.63 -39.82 8.46 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.815 1.677 . . . . 72.04 112.484 175.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 85.2 m -57.1 -32.16 66.02 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.195 0.998 . . . . 60.32 111.778 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.94 -46.43 89.43 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.78 1.232 . . . . 75.03 109.569 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.413 ' HD1' HD12 ' B' ' 92' ' ' ILE . 29.0 m-85 -73.32 -30.52 63.41 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.679 -0.691 . . . . 64.15 111.694 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.72 -35.57 76.67 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.941 0.496 . . . . 74.23 110.644 173.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.525 HD21 ' HD2' ' B' ' 53' ' ' LYS . 95.7 mt -69.07 -34.44 75.15 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.634 0.774 . . . . 74.41 111.285 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.413 HD12 ' HD1' ' B' ' 89' ' ' PHE . 44.6 mt -69.91 -41.54 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 123.13 0.572 . . . . 75.24 110.057 176.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.17 -38.87 92.62 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.795 0.838 . . . . 64.23 110.532 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.08 -34.46 64.01 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.692 0.797 . . . . 74.11 110.888 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.598 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -70.22 -29.68 66.57 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.333 0.653 . . . . 71.11 111.49 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -80.06 -41.48 25.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.833 0.853 . . . . 74.44 110.058 173.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -63.72 -35.53 80.87 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.9 0.88 . . . . 73.31 111.678 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.56 HD12 HG11 ' B' ' 54' ' ' VAL . 60.3 mt -96.4 -19.19 19.38 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.037 0.535 . . . . 63.11 110.594 177.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 28.7 t0 50.41 67.28 0.95 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.444 1.498 . . . . 73.11 111.962 -174.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.668 HG21 ' SG ' ' B' ' 58' ' ' CYS . 25.5 mt -103.6 115.07 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 107.569 -1.271 . . . . 64.31 107.569 174.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -63.41 -49.14 80.13 Favored Pre-proline 0 CA--C 1.562 1.429 0 CA-C-O 118.56 -0.733 . . . . 72.44 112.768 -171.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -61.1 -43.9 27.15 Favored 'Trans proline' 0 C--N 1.392 2.851 0 C-N-CA 121.859 1.706 . . . . 62.0 113.142 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.648 ' HG ' HG13 ' B' ' 54' ' ' VAL . 1.6 tm? -63.76 -51.08 66.46 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.361 0.664 . . . . 73.32 109.713 -175.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.88 -44.44 91.12 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.044 -0.98 . . . . 53.33 110.728 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.41 ' O ' ' HD3' ' B' ' 109' ' ' LYS . 23.7 t70 -64.67 -51.78 60.72 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.015 0.822 . . . . 71.13 110.841 -175.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.82 -46.0 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.715 0.806 . . . . 63.33 111.373 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.5 m -72.15 -32.61 67.05 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.15 0.58 . . . . 74.13 111.908 -175.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 96.1 m -71.02 -39.25 72.48 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.763 0.425 . . . . 63.34 110.094 175.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . 0.41 ' HD3' ' O ' ' B' ' 105' ' ' ASP . 1.4 mptm? -67.47 -30.29 69.96 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.603 0.761 . . . . 73.35 110.879 175.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 85.0 m -57.27 -46.04 83.47 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 123.585 0.553 . . . . 44.22 110.571 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.0 t -71.17 -40.74 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 121.065 0.46 . . . . 71.14 110.26 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.5 71.35 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.156 -0.929 . . . . 53.3 111.466 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -69.88 -35.84 74.98 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.364 0.666 . . . . 71.25 110.689 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 44.3 mtm -69.22 -32.79 72.27 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.025 0.53 . . . . 74.32 111.311 -177.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.9 pt -100.68 -2.59 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.097 0.559 . . . . 62.0 111.79 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 . . . . . 0 N--CA 1.483 1.222 0 C-N-CA 123.875 0.87 . . . . 71.0 112.52 -170.413 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.4 mt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.649 -0.13 . . . . 73.33 110.649 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.9 m -85.78 130.86 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 109.42 -0.585 . . . . 72.51 109.42 168.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.534 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 89.2 mttt -86.17 83.14 7.81 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.088 -0.96 . . . . 73.11 109.88 -174.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.02 90.13 5.97 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.3 0.64 . . . . 73.22 110.195 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -79.07 134.27 36.76 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.651 -0.704 . . . . 72.14 110.01 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.9 p -87.0 175.17 8.26 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 124.057 0.943 . . . . 73.23 110.707 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p -70.0 -13.74 62.37 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.288 0.635 . . . . 74.44 111.413 173.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.43 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 27.9 t70 -91.77 5.32 50.3 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.307 1.043 . . . . 74.2 110.316 175.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 77.97 -2.96 2.42 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.185 1.394 . . . . 71.32 112.794 173.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -77.07 125.44 29.33 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 121.171 -0.955 . . . . 75.24 110.367 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -95.28 110.13 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 124.56 1.144 . . . . 73.14 110.214 -174.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.58 95.23 7.47 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.49 0.716 . . . . 64.31 109.436 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.534 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 31.8 mt-10 -79.81 78.73 6.38 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.056 -0.975 . . . . 62.45 109.64 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.419 HG13 ' NH2' ' A' ' 59' ' ' ARG . 20.5 tt -103.33 157.73 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 108.885 -0.783 . . . . 53.1 108.885 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 133.6 55.33 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.355 0.662 . . . . 72.44 110.159 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -58.88 -36.86 75.34 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.109 0.881 . . . . 73.11 111.42 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.26 -30.55 68.37 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.98 0.912 . . . . 75.44 112.22 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.9 mt -80.9 -36.68 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.21 0.604 . . . . 74.22 109.898 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.32 -16.18 62.97 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.825 -0.625 . . . . 71.41 111.991 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 71.4 m -75.05 -26.72 59.62 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.508 0.723 . . . . 62.34 111.01 173.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.6 mtp -63.33 -32.67 74.16 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.33 0.652 . . . . 74.43 109.635 173.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.603 ' HA ' HG12 ' A' ' 100' ' ' ILE . 44.5 t -73.95 105.16 5.08 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.862 -1.063 . . . . 52.13 108.251 164.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.4 t -67.17 -36.48 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 119.273 -0.394 . . . . 65.25 111.555 -172.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.7 m -64.47 -48.87 73.62 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.603 0.361 . . . . 71.41 111.587 177.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.89 -42.25 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.818 0.447 . . . . 73.32 110.021 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 21.0 ttpp -55.43 -50.23 70.34 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.079 0.952 . . . . 72.13 110.196 173.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.02 -32.46 74.02 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.349 -0.842 . . . . 71.45 111.084 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 64.7 mtt -65.04 -49.41 70.26 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.109 0.564 . . . . 72.34 110.403 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -61.65 -39.61 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.632 0.773 . . . . 62.55 110.49 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.85 -34.24 62.25 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.459 0.704 . . . . 72.42 111.704 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.27 -38.91 71.83 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.59 0.756 . . . . 73.05 110.755 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -74.2 -29.82 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.176 -0.92 . . . . 71.02 109.473 172.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.1 -56.2 0.75 Allowed Glycine 0 C--N 1.344 1.027 0 N-CA-C 111.086 -0.806 . . . . 74.24 111.086 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -138.51 123.91 19.42 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.588 1.155 . . . . 74.44 108.435 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 m -126.64 85.3 2.36 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.053 0.454 . . . . 70.02 110.869 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.78 -34.7 26.96 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.683 -0.689 . . . . 64.51 109.983 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -63.16 144.5 97.36 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.676 0.79 . . . . 65.34 110.706 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HG3' ' HD2' ' A' ' 5' ' ' LYS . 73.9 Cg_exo -52.88 118.74 5.08 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.969 2.446 . . . . 75.44 112.803 178.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -73.04 111.31 11.0 Favored Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 108.715 -0.846 . . . . 73.14 108.715 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -85.9 123.3 2.38 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.474 2.116 . . . . 63.3 111.103 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.7 mt -107.22 94.27 10.9 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 107.971 -1.122 . . . . 71.32 107.971 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.17 -1.75 10.57 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 123.43 2.754 . . . . 71.32 114.463 -172.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -140.19 72.44 1.4 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.208 0.527 . . . . 74.35 110.847 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.3 p -174.2 123.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 114.726 -1.125 . . . . 74.1 108.37 165.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.2 p -69.16 154.14 42.55 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.91 0.484 . . . . 64.24 110.167 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.43 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 57.5 p -60.69 -47.85 84.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.8 0.84 . . . . 64.04 112.898 -171.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 40.0 p -58.82 -46.86 86.67 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 124.05 0.844 . . . . 73.42 111.195 -177.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.556 HG23 HD23 ' A' ' 91' ' ' LEU . 49.2 mm -69.31 -42.44 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.291 0.636 . . . . 74.12 110.595 -178.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.02 -41.94 88.98 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.731 0.644 . . . . 65.4 110.276 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.3 -47.17 87.2 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.828 0.851 . . . . 72.25 110.92 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 49' ' ' THR . 31.0 mtpp -59.09 -43.98 91.88 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 124.03 0.831 . . . . 70.55 111.208 -178.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.8 t -69.44 -43.64 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 115.525 -0.761 . . . . 62.33 110.474 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.25 -32.99 73.56 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.237 0.615 . . . . 72.43 111.632 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.32 -44.5 68.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.501 0.721 . . . . 75.35 109.624 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD2' HD23 ' A' ' 103' ' ' LEU . 89.0 t80 -60.58 -45.96 92.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.218 -0.447 . . . . 75.21 110.551 175.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 85.5 m -59.81 -36.33 76.54 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.712 0.632 . . . . 74.54 110.656 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' NH2' HG13 ' A' ' 16' ' ' ILE . 35.2 ttm180 -65.69 -42.05 91.66 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.836 0.454 . . . . 75.23 110.92 175.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -62.79 -45.24 93.58 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.227 0.611 . . . . 74.24 111.025 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -78.37 -14.41 59.41 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.666 -0.697 . . . . 73.14 110.664 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -79.37 -37.48 37.26 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 109.652 -0.499 . . . . 74.54 109.652 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 85.9 mm-40 -72.84 -24.37 60.88 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.503 0.721 . . . . 72.31 110.869 176.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 . . . . . 0 CA--C 1.548 0.883 0 C-N-CA 124.008 0.923 . . . . 74.32 108.661 174.746 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.7 mm . . . . . 0 CA--C 1.558 1.278 0 N-CA-C 109.633 -0.506 . . . . 62.31 109.633 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -66.33 152.45 80.99 Favored 'Trans proline' 0 C--N 1.377 2.077 0 C-N-CA 122.367 2.045 . . . . 73.35 111.934 173.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.09 -30.89 72.7 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.865 2.377 . . . . 70.14 111.925 172.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -56.54 -50.91 70.47 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 123.778 0.831 . . . . 72.53 111.992 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.21 -32.94 73.66 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.718 0.807 . . . . 71.35 111.265 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -65.44 -46.38 80.12 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.995 -0.548 . . . . 73.54 109.948 173.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.19 -24.65 64.08 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.745 -0.661 . . . . 72.42 112.055 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CZ ' HD21 ' A' ' 103' ' ' LEU . 58.9 t80 -69.64 -38.55 77.21 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.671 0.788 . . . . 65.43 109.071 175.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.426 ' SG ' HG21 ' A' ' 110' ' ' THR . 65.3 m -71.84 -24.31 61.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.805 -1.089 . . . . 71.24 111.348 177.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.95 76.66 2.18 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.099 0.56 . . . . 71.35 110.099 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.444 HG11 ' HE2' ' A' ' 53' ' ' LYS . 16.3 m -142.49 156.6 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.859 1.264 . . . . 72.32 108.203 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.33 164.18 23.45 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.185 0.594 . . . . 70.31 109.872 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.523 ' HA ' HD12 ' A' ' 88' ' ' LEU . 26.0 tp60 -56.56 -48.68 96.68 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 112.907 0.706 . . . . 71.34 112.907 -176.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.47 -35.41 96.08 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 121.871 1.714 . . . . 62.24 112.67 172.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 m -69.58 -29.98 67.65 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.737 0.815 . . . . 74.1 111.314 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 85' ' ' GLN . 78.2 mt -59.72 -47.09 87.02 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.729 0.812 . . . . 73.43 110.187 171.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -65.83 -30.06 70.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.496 0.718 . . . . 74.32 111.576 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -66.38 -37.16 84.65 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.506 0.722 . . . . 64.13 111.595 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.556 HD23 HG23 ' A' ' 50' ' ' ILE . 93.1 mt -67.93 -36.53 80.3 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.052 0.541 . . . . 70.24 110.497 175.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.434 HD13 HD13 ' B' ' 92' ' ' ILE . 77.7 mt -67.2 -41.85 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.662 0.785 . . . . 73.41 109.954 175.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.95 -48.39 79.11 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.317 0.647 . . . . 73.34 110.724 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.07 -42.88 88.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.411 0.684 . . . . 72.11 111.227 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.4 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -65.45 -41.59 93.25 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.076 0.551 . . . . 75.13 111.624 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -74.06 -32.61 63.37 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.129 0.572 . . . . 74.32 110.759 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -72.04 -38.97 69.41 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.143 0.977 . . . . 70.52 110.771 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.8 mt -91.33 -6.77 52.54 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.778 0.831 . . . . 74.53 111.057 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 t70 54.22 65.05 1.62 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.838 1.255 . . . . 71.32 110.203 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.603 HG12 ' HA ' ' A' ' 24' ' ' SER . 35.2 mt -120.39 90.96 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 107.015 -1.476 . . . . 73.43 107.015 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -57.18 -45.46 99.92 Favored Pre-proline 0 CA--C 1.564 1.5 0 CA-C-O 118.131 -0.937 . . . . 75.43 111.318 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.413 ' O ' HG23 ' A' ' 106' ' ' VAL . 95.0 Cg_exo -49.34 -56.98 2.63 Favored 'Trans proline' 0 C--N 1.396 3.04 0 C-N-CA 122.193 1.929 . . . . 72.13 114.213 174.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.464 HD23 ' CD2' ' A' ' 57' ' ' TYR . 2.6 tm? -67.21 -39.16 86.26 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.838 0.455 . . . . 65.53 110.537 -175.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.613 HD21 HD21 ' B' ' 104' ' ' LEU . 49.7 tp -62.06 -40.91 97.4 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.889 0.743 . . . . 73.32 110.233 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.5 -38.92 65.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.614 -0.721 . . . . 74.02 110.581 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 102' ' ' PRO . 74.4 t -61.53 -46.15 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.984 0.514 . . . . 31.12 110.043 175.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.3 m -65.41 -41.06 94.0 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.031 0.532 . . . . 63.45 110.889 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.467 ' HB3' HD23 ' B' ' 93' ' ' LEU . 97.2 m -65.57 -39.48 91.71 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.533 0.733 . . . . 71.14 110.745 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.8 -51.26 63.12 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.844 0.458 . . . . 75.01 109.886 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.426 HG21 ' SG ' ' A' ' 81' ' ' CYS . 98.4 m -58.07 -51.19 70.71 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.802 0.841 . . . . 70.11 112.03 -175.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.463 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 26.8 m -61.42 -34.4 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 122.674 0.389 . . . . 54.25 110.902 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.408 ' HA ' HD11 ' A' ' 115' ' ' ILE . . . -73.62 -34.18 64.91 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.601 0.76 . . . . 72.41 111.933 177.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -73.52 -39.41 64.81 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.952 0.501 . . . . 74.43 111.148 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.463 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 59.3 mtm -70.36 -40.41 74.07 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.034 0.534 . . . . 75.21 111.526 -175.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' B' ' 86' ' ' PRO . 18.6 pt -69.8 -24.57 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 C-N-CA 123.057 0.543 . . . . 72.43 111.893 179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -90.16 -19.59 24.07 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.461 0.704 . . . . 74.41 110.616 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.321 0 CA-C-O 118.999 -0.89 . . . . 45.24 112.475 -178.001 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.617 0.246 . . . . 74.0 110.654 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.8 mt -81.75 117.42 22.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.036 0.534 . . . . 53.3 110.642 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 m -86.08 129.68 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 109.502 -0.555 . . . . 74.1 109.502 169.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.53 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 88.1 mttt -85.43 83.41 7.95 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.097 -0.956 . . . . 70.35 109.872 -174.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.49 89.74 6.18 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.753 -0.658 . . . . 74.45 110.209 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -78.76 134.41 37.03 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.71 -0.677 . . . . 55.1 109.956 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 54.1 p -86.69 176.49 7.74 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 123.982 0.913 . . . . 44.4 110.672 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.1 p -70.78 -13.92 62.23 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.129 0.572 . . . . 70.03 111.291 172.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.419 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 28.2 t70 -92.06 4.85 52.2 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.549 1.14 . . . . 61.11 110.517 175.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 77.94 -2.51 2.47 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.228 1.411 . . . . 73.04 112.771 172.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -76.7 125.64 29.61 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 121.399 -0.813 . . . . 71.43 110.063 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.59 111.76 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.582 1.153 . . . . 65.54 109.984 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -98.72 95.36 7.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.833 0.853 . . . . 74.24 109.525 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.53 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 31.9 mt-10 -81.02 78.21 7.85 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.158 -0.928 . . . . 74.52 109.527 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.425 HG13 ' NH2' ' B' ' 59' ' ' ARG . 20.5 tt -102.61 158.06 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.074 -0.713 . . . . 71.03 109.074 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.1 133.04 54.65 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.367 0.667 . . . . 53.22 110.085 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -58.3 -36.81 73.89 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.23 0.956 . . . . 63.2 111.541 -176.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.25 -29.76 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.969 0.908 . . . . 65.52 112.281 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 39.3 mt -81.18 -36.9 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 C-N-CA 123.313 0.645 . . . . 54.31 109.803 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.43 -16.15 62.91 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.906 -0.588 . . . . 74.43 112.065 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 75.7 m -74.11 -28.94 61.6 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.339 0.655 . . . . 41.2 110.54 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 81.1 mtp -60.94 -33.21 72.82 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.473 0.709 . . . . 74.1 109.939 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.598 ' HA ' HG12 ' B' ' 100' ' ' ILE . 44.3 t -73.72 105.77 5.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.704 -1.134 . . . . 75.13 108.224 165.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.38 -36.77 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 122.577 0.351 . . . . 72.01 111.621 -172.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 95.4 m -63.95 -49.4 72.71 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.737 0.415 . . . . 74.54 111.613 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.8 -42.18 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 122.804 0.442 . . . . 35.21 109.983 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -55.2 -50.31 69.7 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.086 0.954 . . . . 74.03 110.211 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -64.35 -32.17 73.67 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.426 -0.806 . . . . 65.44 111.09 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.8 mtt -64.96 -49.25 71.04 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.152 0.581 . . . . 74.02 110.398 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.81 -39.56 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 123.644 0.777 . . . . 54.02 110.567 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -74.23 -35.33 63.85 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.465 0.706 . . . . 71.44 111.724 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.23 -39.67 74.95 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.682 0.793 . . . . 74.32 110.614 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.73 -28.33 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 115.385 -0.825 . . . . 61.4 109.727 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.15 -58.19 0.77 Allowed Glycine 0 C--N 1.345 1.046 0 N-CA-C 110.906 -0.878 . . . . 74.1 110.906 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -137.01 125.12 22.95 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.59 1.156 . . . . 73.02 107.983 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 32.8 m -127.89 81.12 2.0 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.81 0.444 . . . . 74.25 110.877 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -79.79 -32.85 40.87 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 115.773 -0.648 . . . . 72.14 110.125 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.0 m -64.13 144.63 98.27 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 123.752 0.821 . . . . 63.15 110.846 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.413 ' HG3' ' HD2' ' B' ' 5' ' ' LYS . 73.3 Cg_exo -52.36 120.8 7.91 Favored 'Trans proline' 0 C--N 1.384 2.419 0 C-N-CA 122.791 2.327 . . . . 61.51 112.368 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -74.94 112.01 15.92 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 108.761 -0.829 . . . . 75.15 108.761 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -85.56 124.55 2.73 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.67 2.246 . . . . 51.41 111.161 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.5 mt -108.33 93.83 12.23 Favored Pre-proline 0 CA--C 1.544 0.744 0 N-CA-C 107.998 -1.112 . . . . 75.23 107.998 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -71.6 -2.73 11.8 Favored 'Trans proline' 0 C--N 1.383 2.369 0 C-N-CA 123.392 2.728 . . . . 74.34 114.306 -172.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -139.29 72.53 1.4 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.258 0.551 . . . . 74.0 110.806 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 11.5 p -174.32 124.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 114.748 -1.115 . . . . 73.22 108.341 165.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 42.3 p -70.06 154.19 42.25 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.915 0.486 . . . . 45.33 110.085 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.419 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 65.8 p -60.51 -48.07 83.39 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.985 0.914 . . . . 71.55 112.839 -172.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.483 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 36.3 p -58.9 -46.99 86.55 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.049 0.843 . . . . 75.31 110.895 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.573 HG23 HD23 ' B' ' 91' ' ' LEU . 49.5 mm -69.01 -42.28 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.25 0.62 . . . . 71.45 110.922 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.16 -42.33 90.47 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.392 0.677 . . . . 54.22 110.225 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.67 -46.46 89.65 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.91 0.884 . . . . 71.32 110.712 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' B' ' 49' ' ' THR . 31.0 mtpp -58.72 -44.23 90.37 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.925 0.766 . . . . 72.32 111.281 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 98.1 t -70.08 -43.2 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-N 115.472 -0.785 . . . . 73.21 110.625 -177.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.33 -33.3 74.05 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.282 0.633 . . . . 61.13 111.443 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.36 -44.31 68.37 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.486 0.715 . . . . 73.45 109.709 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . 0.463 ' CD2' HD23 ' B' ' 103' ' ' LEU . 88.6 t80 -60.63 -45.79 92.74 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.768 0.427 . . . . 65.45 110.446 175.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 89.5 m -59.59 -36.72 76.82 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 123.814 0.696 . . . . 71.03 110.683 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.425 ' NH2' HG13 ' B' ' 16' ' ' ILE . 35.1 ttm180 -65.06 -42.48 94.15 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.998 0.519 . . . . 73.44 110.996 175.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -62.59 -45.59 92.19 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.182 0.593 . . . . 73.34 110.866 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -77.68 -14.22 59.68 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.587 -0.733 . . . . 74.31 110.846 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -80.39 -36.12 34.35 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.645 -0.502 . . . . 74.34 109.645 173.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -73.53 -24.49 60.14 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.288 0.635 . . . . 61.31 110.71 175.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 . . . . . 0 CA--C 1.551 1.0 0 C-N-CA 124.118 0.967 . . . . 64.13 108.513 174.74 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 CA--C 1.555 1.138 0 N-CA-C 109.825 -0.435 . . . . 73.44 109.825 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -65.98 152.5 81.19 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.512 2.142 . . . . 75.44 111.813 173.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.8 -31.26 71.53 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 123.005 2.47 . . . . 74.21 111.973 172.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -56.3 -50.29 71.83 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.65 0.78 . . . . 71.14 112.105 175.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.05 -32.4 73.76 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.748 0.819 . . . . 72.45 111.334 -176.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -65.51 -46.63 78.9 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.83 0.707 . . . . 73.41 109.873 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.56 -24.26 63.68 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.319 0.648 . . . . 63.22 112.069 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.438 ' CZ ' HD21 ' B' ' 103' ' ' LEU . 58.8 t80 -70.1 -38.47 75.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.598 0.759 . . . . 73.33 109.175 175.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . 0.44 ' SG ' HG21 ' B' ' 110' ' ' THR . 72.4 m -72.04 -24.9 61.61 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.833 -1.076 . . . . 72.13 111.443 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -74.68 78.44 2.03 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.938 0.495 . . . . 74.2 109.745 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.439 HG11 ' HE2' ' B' ' 53' ' ' LYS . 16.4 m -143.8 154.72 15.9 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 C-N-CA 125.03 1.332 . . . . 62.01 107.86 175.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -67.99 163.55 21.98 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.302 0.641 . . . . 54.11 109.657 -175.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.513 ' HA ' HD12 ' B' ' 88' ' ' LEU . 27.4 tp60 -56.3 -47.35 99.04 Favored Pre-proline 0 N--CA 1.488 1.466 0 CA-C-O 118.84 -0.6 . . . . 71.3 112.524 -176.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.679 ' HA ' HD12 ' A' ' 115' ' ' ILE . 24.3 Cg_endo -60.34 -35.41 91.38 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 121.522 1.482 . . . . 72.54 113.631 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.1 m -69.87 -29.6 66.86 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 123.977 0.911 . . . . 72.13 111.241 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' B' ' 85' ' ' GLN . 77.9 mt -59.17 -47.41 85.39 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.837 0.855 . . . . 74.12 110.662 171.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -66.73 -29.38 69.35 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.45 -0.795 . . . . 63.43 111.698 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -66.4 -36.83 83.82 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.61 0.764 . . . . 60.31 111.692 173.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.573 HD23 HG23 ' B' ' 50' ' ' ILE . 94.1 mt -67.91 -36.72 80.67 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.169 0.588 . . . . 74.52 110.421 175.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.434 HD13 HD13 ' A' ' 92' ' ' ILE . 77.0 mt -67.12 -41.8 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.675 0.79 . . . . 54.42 109.921 175.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 108' ' ' CYS . 10.9 mt -61.89 -49.52 75.88 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.288 0.635 . . . . 44.23 111.045 176.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.42 89.22 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.906 0.754 . . . . 73.12 111.093 -174.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.54 92.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.03 0.532 . . . . 75.32 111.255 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -73.76 -34.54 64.74 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.006 0.522 . . . . 65.3 110.698 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -70.84 -38.26 73.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.862 0.865 . . . . 75.34 110.783 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 89.0 mt -91.4 -6.92 52.1 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.757 0.823 . . . . 70.12 110.976 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.9 t70 54.19 65.51 1.49 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.959 1.303 . . . . 73.13 110.081 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.598 HG12 ' HA ' ' B' ' 24' ' ' SER . 35.6 mt -120.51 91.25 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 107.029 -1.471 . . . . 72.21 107.029 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -57.79 -44.94 99.8 Favored Pre-proline 0 CA--C 1.567 1.601 0 CA-C-O 118.008 -0.996 . . . . 71.31 111.282 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . 0.417 ' O ' HG23 ' B' ' 106' ' ' VAL . 95.3 Cg_exo -49.35 -57.08 2.56 Favored 'Trans proline' 0 C--N 1.396 3.039 0 C-N-CA 122.169 1.913 . . . . 61.05 114.207 173.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.463 HD23 ' CD2' ' B' ' 57' ' ' TYR . 2.6 tm? -67.27 -38.94 85.91 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.804 0.442 . . . . 75.41 110.527 -175.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.613 HD21 HD21 ' A' ' 104' ' ' LEU . 53.1 tp -61.89 -42.28 98.88 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.922 0.764 . . . . 75.04 110.384 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -73.46 -38.07 65.57 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.541 -0.754 . . . . 63.22 110.21 -175.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 102' ' ' PRO . 75.0 t -61.15 -46.56 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 122.955 0.502 . . . . 74.11 110.001 174.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 56.6 m -65.23 -40.87 94.64 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.199 0.6 . . . . 63.3 111.115 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 93.1 m -66.19 -37.42 85.56 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.559 0.744 . . . . 74.23 110.876 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.94 -51.1 59.34 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.739 0.416 . . . . 72.45 109.882 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . 0.44 HG21 ' SG ' ' B' ' 81' ' ' CYS . 98.6 m -57.51 -51.33 69.89 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.039 0.837 . . . . 53.52 111.949 -175.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.436 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 35.6 m -61.82 -34.69 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 122.73 0.412 . . . . 72.31 110.714 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.1 -34.84 66.43 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.347 0.659 . . . . 73.4 111.275 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -72.59 -40.3 66.67 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.173 0.589 . . . . 64.13 110.944 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . 0.436 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 63.6 mtm -70.31 -40.02 74.47 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.014 0.526 . . . . 63.2 111.479 -175.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.6 pt -71.0 -22.34 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 122.665 0.386 . . . . 52.42 111.792 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 . . . . . 0 N--CA 1.48 1.068 0 C-N-CA 123.669 0.787 . . . . 75.25 110.743 173.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 CA--C 1.538 0.499 0 N-CA-C 109.254 -0.647 . . . . 75.15 109.254 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.574 HG12 ' HA ' ' A' ' 38' ' ' ASP . 13.8 m -89.25 136.01 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 109.062 -0.718 . . . . 74.31 109.062 168.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 64.2 mttp -83.8 120.0 25.51 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.585 -0.734 . . . . 74.14 109.674 -178.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.465 HD21 HD13 ' A' ' 27' ' ' ILE . 9.2 mp -109.41 95.83 5.88 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.563 0.745 . . . . 54.22 109.265 177.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -80.75 121.85 26.42 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.91 -0.774 . . . . 64.44 108.91 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -82.35 174.99 10.61 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.349 0.66 . . . . 73.44 110.811 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.6 t -65.59 -22.08 66.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.93 0.892 . . . . 61.31 111.181 172.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.45 5.12 36.64 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.951 0.901 . . . . 61.13 111.031 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 74.01 5.45 4.74 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.938 1.295 . . . . 73.15 112.784 171.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -90.79 127.72 36.44 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.019 0.528 . . . . 73.43 109.888 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.6 t -96.33 124.05 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 C-N-CA 124.294 1.038 . . . . 75.24 110.447 -175.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -109.4 106.46 16.25 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.398 1.079 . . . . 70.21 109.119 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 41.4 mt-10 -77.98 83.38 4.29 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.104 0.562 . . . . 73.22 109.487 178.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.5 151.97 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 108.7 -0.852 . . . . 72.21 108.7 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.15 132.36 53.45 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.272 0.629 . . . . 63.25 109.435 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -53.42 -40.5 65.19 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.089 0.868 . . . . 72.23 111.351 -175.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -61.08 -33.91 74.07 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.953 0.901 . . . . 50.23 112.446 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.4 mt -79.05 -31.84 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.371 0.668 . . . . 64.14 110.123 177.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.3 -21.05 59.91 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.161 0.584 . . . . 61.14 111.92 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.6 m -73.48 -23.23 60.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.566 0.746 . . . . 52.12 111.765 175.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 79.7 mtp -60.84 -38.05 84.15 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.442 0.639 . . . . 73.25 110.293 173.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.421 ' HA ' HG12 ' A' ' 100' ' ' ILE . 48.0 t -73.72 112.86 10.22 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 114.545 -1.207 . . . . 74.11 108.434 170.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.58 -45.08 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 123.177 0.591 . . . . 54.33 111.219 -175.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.4 m -64.84 -48.93 72.56 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.093 0.557 . . . . 71.05 111.864 -177.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.465 HD13 HD21 ' A' ' 6' ' ' LEU . 92.8 mt -62.61 -41.31 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 C-N-CA 123.181 0.592 . . . . 72.03 110.399 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -56.98 -47.66 80.25 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.091 0.956 . . . . 71.0 110.249 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -65.52 -32.65 74.36 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.43 0.692 . . . . 75.44 111.291 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.9 mtt -63.76 -43.99 94.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.193 0.597 . . . . 74.43 110.718 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.56 -43.26 87.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.585 -0.734 . . . . 74.54 110.121 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.7 -27.91 65.39 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.556 0.743 . . . . 71.13 111.833 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.14 -39.49 71.95 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.492 0.717 . . . . 62.13 110.315 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.6 mt -79.81 -11.5 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 CA-C-N 115.19 -0.914 . . . . 65.22 109.502 172.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.88 -73.23 1.18 Allowed Glycine 0 C--N 1.348 1.221 0 N-CA-C 110.64 -0.984 . . . . 22.41 110.64 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -137.79 107.39 6.2 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.386 -0.968 . . . . 75.32 108.386 177.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.7 p -141.56 106.39 4.92 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.056 0.542 . . . . 72.23 111.033 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.574 ' HA ' HG12 ' A' ' 4' ' ' VAL . 8.8 p-10 -89.48 -17.03 29.45 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.832 0.853 . . . . 54.11 109.828 168.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -56.95 151.66 32.33 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 124.936 1.295 . . . . 55.13 111.757 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.16 105.91 0.13 Allowed 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 123.266 2.644 . . . . 51.44 114.03 -173.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -71.39 108.58 4.04 Favored Pre-proline 0 CA--C 1.558 1.255 0 N-CA-C 108.229 -1.026 . . . . 75.05 108.229 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.11 126.36 7.77 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.352 2.034 . . . . 75.24 111.06 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.6 mt -115.31 88.27 18.19 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.139 0.976 . . . . 65.24 108.702 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -85.78 62.74 5.41 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.564 2.843 . . . . 42.34 111.414 -174.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -161.94 -58.02 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.004 -0.998 . . . . 75.45 108.846 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.63 128.64 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 CA-C-N 115.468 -0.787 . . . . 71.31 110.037 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.8 p -80.26 175.7 10.42 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.235 0.614 . . . . 73.42 110.703 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.9 p -65.79 -47.82 73.83 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.57 0.748 . . . . 55.42 112.38 -173.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.8 p -63.28 -39.33 94.29 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.633 0.773 . . . . 51.41 111.134 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.665 HG23 HD23 ' A' ' 91' ' ' LEU . 50.4 mm -72.81 -46.52 52.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.23 -0.896 . . . . 71.42 109.765 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.446 HD21 ' HB3' ' A' ' 6' ' ' LEU . 44.9 tp -62.7 -34.67 77.63 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.345 0.658 . . . . 71.22 111.203 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.5 -51.82 67.84 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.03 0.932 . . . . 72.12 110.152 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HB3' ' HE1' ' A' ' 80' ' ' PHE . 28.4 mtmm -62.12 -41.94 98.74 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.101 -0.954 . . . . 71.02 111.904 178.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.26 -45.89 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 C-N-CA 123.74 0.816 . . . . 73.14 110.781 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.03 -36.0 72.2 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.938 0.495 . . . . 74.41 111.171 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.462 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 33.3 t70 -70.83 -35.62 72.54 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.77 0.669 . . . . 71.34 110.654 -177.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -66.23 -44.98 82.27 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.976 -0.556 . . . . 74.12 109.751 174.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.38 -30.61 71.32 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.778 0.831 . . . . 74.53 111.738 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.462 ' HD2' ' HA ' ' A' ' 56' ' ' ASP . 90.2 mtt-85 -56.99 -53.91 52.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.106 0.563 . . . . 74.52 110.531 172.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -59.11 -42.72 91.2 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 123.704 0.627 . . . . 61.04 111.395 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -63.26 -31.91 73.18 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 123.879 0.737 . . . . 73.04 111.245 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -82.76 -46.31 13.29 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.638 0.775 . . . . 74.24 112.124 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -70.94 -28.35 64.42 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.889 0.875 . . . . 74.21 110.89 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 . . . . . 0 C--O 1.242 0.706 0 N-CA-C 107.321 -1.363 . . . . 71.11 107.321 170.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm . . . . . 0 CA--C 1.563 1.462 0 N-CA-C 111.829 0.307 . . . . 74.53 111.829 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.9 148.37 88.9 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.866 2.377 . . . . 73.11 113.45 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.44 -57.27 2.45 Favored 'Trans proline' 0 C--N 1.387 2.605 0 C-N-CA 124.613 3.542 . . . . 64.0 115.527 -171.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -52.75 -45.84 67.22 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.228 0.611 . . . . 74.23 111.202 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.82 -26.96 62.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.686 1.194 . . . . 73.1 110.529 -171.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -74.11 -37.06 64.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.797 0.839 . . . . 74.21 110.326 173.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.415 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 12.5 m-20 -70.46 -28.4 64.98 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.863 0.465 . . . . 72.0 110.922 174.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.429 ' HE1' ' HB3' ' A' ' 53' ' ' LYS . 79.8 t80 -63.52 -36.14 82.79 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.834 0.854 . . . . 74.14 110.487 175.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.8 m -65.7 -28.65 69.22 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.66 -0.7 . . . . 75.34 111.69 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' A' ' 79' ' ' ASP . 49.6 mtmt -91.08 86.98 6.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.14 0.576 . . . . 71.25 109.716 -177.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.77 -179.23 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.26 1.024 . . . . 63.44 109.283 173.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.31 152.15 45.86 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.499 0.72 . . . . 73.21 109.554 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -59.09 -53.5 65.71 Favored Pre-proline 0 CA--C 1.569 1.694 0 C-N-CA 123.625 0.77 . . . . 72.44 112.692 -172.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 53.7 Cg_exo -57.29 -43.51 51.74 Favored 'Trans proline' 0 C--N 1.39 2.734 0 C-N-CA 122.163 1.909 . . . . 45.4 112.728 171.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.1 m -57.86 -33.56 68.8 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.595 1.158 . . . . 71.54 112.024 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.44 -45.42 83.9 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.958 0.903 . . . . 72.24 109.239 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -67.38 -31.15 71.19 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.961 -0.563 . . . . 75.11 111.414 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 23.5 mm-40 -66.4 -36.65 83.36 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.974 0.51 . . . . 72.25 111.105 175.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.665 HD23 HG23 ' A' ' 50' ' ' ILE . 97.6 mt -68.16 -35.77 78.6 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.487 0.715 . . . . 61.3 110.815 175.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.58 -46.03 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.364 0.666 . . . . 63.25 109.977 175.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.39 -38.68 92.09 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.852 0.861 . . . . 61.54 111.022 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.78 -37.52 70.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.685 0.794 . . . . 70.41 111.152 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.513 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -69.16 -29.03 66.97 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.397 0.679 . . . . 52.45 111.719 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' B' ' 105' ' ' ASP . 20.5 t30 -76.22 -50.02 15.6 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.882 0.873 . . . . 60.15 110.336 172.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -61.67 -36.34 80.55 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.34 1.056 . . . . 63.33 111.93 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.8 mt -99.54 -13.01 19.63 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.6 0.76 . . . . 70.14 111.119 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.1 t70 47.11 82.84 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.435 1.494 . . . . 65.24 112.09 -172.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.421 HG12 ' HA ' ' A' ' 24' ' ' SER . 38.5 mt -125.83 103.55 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 107.431 -1.322 . . . . 72.45 107.431 174.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -57.1 -46.64 99.84 Favored Pre-proline 0 CA--C 1.561 1.388 0 C-N-CA 124.095 0.958 . . . . 74.12 113.432 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.3 -38.39 94.95 Favored 'Trans proline' 0 C--N 1.397 3.094 0 C-N-CA 122.147 1.898 . . . . 74.15 113.516 174.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.513 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -70.71 -46.95 62.15 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.914 -0.773 . . . . 71.15 108.914 -179.165 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.3 tp -65.11 -47.91 75.5 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.632 -1.167 . . . . 73.03 111.012 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.509 ' HA ' HD21 ' B' ' 96' ' ' ASN . 34.7 t70 -62.15 -51.01 69.58 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 124.23 0.956 . . . . 72.33 110.736 -175.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 37.6 t -61.09 -52.65 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 O-C-N 124.217 0.948 . . . . 70.31 112.373 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.483 HG21 ' HB2' ' A' ' 91' ' ' LEU . 31.1 m -68.96 -41.13 78.41 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 111.976 0.361 . . . . 63.11 111.976 -172.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 85.7 m -70.07 -30.61 67.9 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.039 0.536 . . . . 73.34 110.88 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' A' ' 109' ' ' LYS . 31.9 ttmt -73.52 -32.16 64.09 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.435 0.694 . . . . 74.24 110.068 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.1 m -62.91 -49.03 76.41 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.392 0.677 . . . . 64.21 111.399 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.05 -33.21 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 123.028 0.205 . . . . 54.31 110.453 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.25 -30.3 70.16 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.671 0.788 . . . . 74.03 111.797 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -79.12 -31.08 44.04 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.675 0.79 . . . . 51.21 110.671 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 41.1 mtm -70.53 -43.9 68.65 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.975 0.51 . . . . 71.12 110.472 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 pt -71.78 -32.73 45.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 N-CA-C 109.592 -0.521 . . . . 74.01 109.592 175.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 54.42 82.87 0.08 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.067 1.347 . . . . 73.55 111.703 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.251 0 CA-C-O 118.98 -0.9 . . . . 64.13 113.133 178.019 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.689 0.281 . . . . 75.33 110.436 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 80.5 mt -87.03 121.84 30.04 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.771 -0.65 . . . . 72.2 109.605 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' B' ' 38' ' ' ASP . 12.7 m -87.56 136.09 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.985 -0.746 . . . . 65.41 108.985 169.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.587 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 64.1 mttp -83.96 120.23 25.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.581 -0.736 . . . . 71.41 109.656 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.468 HD21 HD13 ' B' ' 27' ' ' ILE . 9.2 mp -109.7 95.54 5.67 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.683 0.793 . . . . 55.54 109.265 177.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.64 121.99 26.54 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.017 -0.735 . . . . 73.4 109.017 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -82.51 175.19 10.4 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 123.381 0.673 . . . . 75.12 111.114 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -64.33 -24.28 67.59 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.049 0.94 . . . . 64.44 111.17 172.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -85.63 5.79 30.29 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.817 0.847 . . . . 75.23 110.849 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 73.31 6.4 5.16 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.785 1.234 . . . . 75.24 112.822 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.06 128.54 37.94 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.029 0.531 . . . . 62.23 109.724 176.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 80.3 t -97.72 123.37 50.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 124.242 1.017 . . . . 71.0 110.334 -174.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.92 106.19 16.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.303 1.041 . . . . 73.44 109.171 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.587 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 40.3 mt-10 -77.89 83.13 4.23 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 123.228 0.611 . . . . 75.12 109.498 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.16 151.92 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.338 -0.846 . . . . 62.51 108.816 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.48 132.42 53.85 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 109.368 -0.604 . . . . 53.34 109.368 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -53.64 -39.82 65.32 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 124.119 0.887 . . . . 72.55 111.454 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.07 -35.92 78.24 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 124.058 0.849 . . . . 71.22 111.862 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 52.1 mt -76.73 -32.52 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 123.769 0.828 . . . . 73.44 110.333 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.36 -20.58 60.03 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.107 0.563 . . . . 52.12 112.036 176.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 74.4 m -74.05 -22.99 59.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.675 0.79 . . . . 72.33 111.679 175.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 81.9 mtp -61.5 -37.79 84.99 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.454 0.645 . . . . 51.42 110.203 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.432 ' HA ' HG12 ' B' ' 100' ' ' ILE . 48.4 t -73.55 112.97 10.14 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.563 -1.199 . . . . 71.32 108.579 169.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 97.3 t -63.81 -45.3 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 123.285 0.634 . . . . 74.04 111.324 -175.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 38.0 m -64.32 -48.71 74.57 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.202 0.601 . . . . 53.05 112.09 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.468 HD13 HD21 ' B' ' 6' ' ' LEU . 93.5 mt -62.99 -41.51 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 123.235 0.614 . . . . 72.33 110.26 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -56.35 -48.4 76.87 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.195 0.998 . . . . 73.04 110.331 174.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.92 -31.86 73.03 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.496 0.718 . . . . 70.05 111.284 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 60.6 mtt -64.53 -43.7 93.16 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.183 0.593 . . . . 63.21 110.639 177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.22 -43.01 88.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.577 -0.738 . . . . 74.3 110.067 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -70.42 -27.9 64.64 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.747 0.819 . . . . 65.31 112.04 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -70.16 -41.22 74.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.716 0.806 . . . . 70.14 110.234 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 57.7 mt -77.6 -14.49 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 CA-C-N 114.987 -1.006 . . . . 64.33 109.461 172.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.59 -73.1 0.9 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 110.741 -0.944 . . . . 53.34 110.741 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -137.48 107.13 6.19 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 108.389 -0.967 . . . . 73.14 108.389 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 38.4 p -142.03 106.61 4.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.255 0.622 . . . . 73.31 111.073 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . 0.583 ' HA ' HG12 ' B' ' 4' ' ' VAL . 8.8 p-10 -91.54 -12.96 32.95 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.67 0.788 . . . . 73.22 110.045 169.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -58.87 151.91 51.86 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 124.73 1.212 . . . . 50.15 111.593 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.23 106.69 0.15 Allowed 'Trans proline' 0 C--N 1.386 2.504 0 C-N-CA 123.237 2.625 . . . . 44.31 113.777 -174.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -72.34 108.97 4.92 Favored Pre-proline 0 CA--C 1.555 1.137 0 N-CA-C 108.009 -1.108 . . . . 73.22 108.009 171.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.7 127.61 8.88 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.242 1.961 . . . . 72.12 110.834 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.1 mt -116.68 88.11 23.74 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.051 0.94 . . . . 73.05 108.666 -177.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -85.73 63.12 5.51 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 123.65 2.9 . . . . 63.54 111.679 -173.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -162.62 -56.8 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.009 -0.996 . . . . 73.33 108.882 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.52 128.46 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 115.382 -0.826 . . . . 74.13 110.119 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 77.4 p -79.86 174.76 11.26 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.216 0.607 . . . . 72.23 110.617 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 70.5 p -64.75 -48.18 75.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.445 0.698 . . . . 50.41 112.233 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -63.32 -39.01 93.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.735 0.814 . . . . 72.21 111.045 -176.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.664 HG23 HD23 ' B' ' 91' ' ' LEU . 50.2 mm -72.95 -46.7 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.232 -0.894 . . . . 41.24 109.719 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' B' ' 6' ' ' LEU . 45.2 tp -62.5 -34.83 77.64 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.572 0.749 . . . . 52.34 111.124 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -52.04 66.79 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.997 0.919 . . . . 64.21 109.952 176.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.412 ' HB3' ' HE1' ' B' ' 80' ' ' PHE . 28.4 mtmm -61.93 -41.65 98.19 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.087 -0.961 . . . . 71.2 111.802 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.35 -45.58 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 123.751 0.821 . . . . 72.42 110.86 -178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.4 -36.18 71.28 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 116.108 -0.496 . . . . 65.13 111.179 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' B' ' 59' ' ' ARG . 35.8 t70 -71.21 -35.46 71.52 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.834 0.709 . . . . 73.12 110.717 -177.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -65.52 -45.06 84.96 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 122.937 0.495 . . . . 74.24 109.88 174.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 92.7 m -62.43 -30.45 71.24 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.62 0.768 . . . . 72.43 111.74 177.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' B' ' 56' ' ' ASP . 90.4 mtt-85 -57.23 -53.75 54.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.081 0.553 . . . . 73.32 110.507 172.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -59.17 -43.35 92.14 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 123.653 0.596 . . . . 75.43 111.431 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -62.48 -33.65 75.28 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.984 0.803 . . . . 73.25 111.125 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -80.95 -46.96 14.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.495 0.718 . . . . 75.41 111.825 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -70.45 -27.94 64.64 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.023 0.929 . . . . 73.21 111.003 -174.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 . . . . . 0 CA--C 1.546 0.796 0 N-CA-C 107.2 -1.407 . . . . 74.41 107.2 171.113 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm . . . . . 0 CA--C 1.563 1.467 0 N-CA-C 111.778 0.288 . . . . 75.14 111.778 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.61 148.26 88.31 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.89 2.393 . . . . 62.04 113.19 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.63 -55.75 3.81 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 124.664 3.576 . . . . 53.05 115.459 -171.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -53.66 -46.87 70.73 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.342 0.657 . . . . 74.5 111.29 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.49 -27.05 63.91 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.647 1.179 . . . . 74.13 110.385 -172.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -74.27 -37.52 63.7 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.041 0.937 . . . . 44.21 110.38 173.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . 0.474 ' HA ' ' HE2' ' B' ' 82' ' ' LYS . 13.7 m-20 -69.31 -30.45 68.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.796 0.439 . . . . 72.44 110.671 174.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.412 ' HE1' ' HB3' ' B' ' 53' ' ' LYS . 78.4 t80 -61.82 -36.43 81.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.143 0.977 . . . . 62.45 110.451 176.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 58.2 m -65.78 -28.98 69.42 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.644 -0.707 . . . . 63.13 111.653 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' B' ' 79' ' ' ASP . 49.0 mtmt -90.5 89.21 7.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.1 0.56 . . . . 73.1 109.515 -178.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -128.1 -179.78 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.436 1.094 . . . . 71.52 109.069 173.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.73 152.63 45.29 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.444 0.698 . . . . 74.15 109.488 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -59.2 -53.81 62.54 Favored Pre-proline 0 CA--C 1.569 1.704 0 CA-C-O 118.257 -0.878 . . . . 63.22 112.799 -172.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.431 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 53.7 Cg_exo -56.76 -43.71 52.05 Favored 'Trans proline' 0 C--N 1.392 2.85 0 C-N-CA 122.163 1.909 . . . . 72.15 112.463 171.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 87.5 m -57.75 -33.46 68.5 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.434 1.093 . . . . 73.3 112.209 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.74 -45.0 84.26 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.66 0.784 . . . . 71.54 109.25 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.411 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 35.0 m-85 -67.73 -31.14 70.85 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.879 -0.601 . . . . 75.54 111.324 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 33.2 mm-40 -66.54 -36.64 83.17 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.021 0.528 . . . . 74.3 111.107 176.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.664 HD23 HG23 ' B' ' 50' ' ' ILE . 97.6 mt -68.15 -35.34 77.93 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.626 0.77 . . . . 64.12 110.899 175.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.81 -46.22 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.452 0.701 . . . . 55.02 110.021 175.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 95.3 mt -63.43 -38.69 92.11 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.808 0.843 . . . . 72.35 110.911 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.72 -37.59 70.6 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.554 0.741 . . . . 51.02 111.077 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -69.28 -29.13 66.94 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.372 0.669 . . . . 51.22 111.65 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . 0.509 HD21 ' HA ' ' A' ' 105' ' ' ASP . 21.2 t30 -76.39 -50.24 14.69 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.57 0.748 . . . . 75.01 110.136 172.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -61.4 -35.82 78.59 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.329 1.052 . . . . 64.31 111.881 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.6 mt -99.92 -12.81 19.49 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.7 0.8 . . . . 73.14 111.223 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 38.2 t70 47.53 81.31 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.696 1.598 . . . . 64.23 112.222 -173.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.432 HG12 ' HA ' ' B' ' 24' ' ' SER . 37.5 mt -124.71 103.11 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 107.445 -1.317 . . . . 74.33 107.445 175.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -56.79 -46.5 99.84 Favored Pre-proline 0 CA--C 1.562 1.406 0 C-N-CA 124.044 0.938 . . . . 74.05 113.472 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.55 -38.29 94.29 Favored 'Trans proline' 0 C--N 1.397 3.131 0 C-N-CA 122.049 1.833 . . . . 62.2 113.535 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' B' ' 95' ' ' ALA . 0.2 OUTLIER -70.75 -46.92 62.1 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.886 -0.783 . . . . 73.31 108.886 -179.145 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 38.8 tp -65.37 -47.69 75.51 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 114.594 -1.184 . . . . 64.04 111.086 -172.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.433 ' HA ' ' ND2' ' A' ' 96' ' ' ASN . 34.1 t70 -61.88 -51.76 66.86 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 124.065 0.853 . . . . 71.3 110.534 -175.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 37.5 t -60.61 -52.94 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 124.274 0.984 . . . . 53.1 112.421 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.491 HG21 ' HB2' ' B' ' 91' ' ' LEU . 31.2 m -68.59 -41.12 80.08 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 111.997 0.369 . . . . 64.53 111.997 -172.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.42 -29.97 66.72 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.961 0.504 . . . . 74.13 111.093 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -73.75 -32.87 64.05 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.599 0.759 . . . . 73.22 109.898 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 98.5 m -62.54 -49.42 75.39 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.711 0.804 . . . . 51.02 111.247 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 p -64.71 -33.18 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 122.997 0.186 . . . . 70.04 110.559 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.42 -28.78 67.37 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.599 0.76 . . . . 70.45 111.611 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -79.38 -31.73 42.92 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.644 0.778 . . . . 72.51 110.738 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 39.7 mtm -70.3 -42.63 71.77 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.051 0.54 . . . . 63.1 110.533 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.1 pt -72.75 -32.74 41.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 N-CA-C 109.679 -0.489 . . . . 64.55 109.679 175.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? . . . . . 0 C--N 1.36 1.028 0 C-N-CA 125.08 1.352 . . . . 75.11 111.655 175.74 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.2 mt . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 110.388 -0.227 . . . . 75.31 110.388 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 m -91.11 130.71 39.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 108.867 -0.79 . . . . 63.43 108.867 166.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.52 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 96.4 mttt -85.33 94.65 9.0 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.639 0.776 . . . . 73.14 109.793 -174.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.422 HD13 HD13 ' A' ' 27' ' ' ILE . 81.8 mt -93.17 92.49 7.79 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.681 -0.488 . . . . 63.21 109.681 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 43.2 tt0 -75.67 135.4 40.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.536 -0.756 . . . . 75.14 109.386 175.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.7 p -82.05 175.47 10.32 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 123.561 0.744 . . . . 74.21 110.765 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.0 p -63.98 -25.85 68.32 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.248 0.619 . . . . 73.34 110.532 170.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -83.57 8.67 13.45 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.203 1.001 . . . . 71.03 111.407 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 71.08 5.88 5.63 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.602 1.161 . . . . 71.1 113.72 172.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -92.15 123.49 35.54 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.511 -0.552 . . . . 71.15 109.511 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 46.4 t -87.63 124.02 40.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 123.676 0.791 . . . . 61.24 110.257 -175.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -110.14 101.54 10.32 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.002 0.921 . . . . 74.24 108.906 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.52 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 38.5 mt-10 -81.84 95.24 7.25 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.359 0.664 . . . . 70.24 109.462 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 tp -104.22 152.23 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.047 -1.094 . . . . 43.24 108.047 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.6 142.11 57.59 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.882 -0.414 . . . . 51.13 109.882 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.92 -40.89 97.52 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.461 0.704 . . . . 74.34 111.167 -174.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -56.04 -27.63 54.02 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.515 1.126 . . . . 53.02 112.486 176.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.4 mt -81.55 -45.86 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 124.081 0.952 . . . . 64.21 109.611 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.04 -9.44 58.63 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.041 0.936 . . . . 74.44 112.564 -175.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.3 m -69.88 -29.64 66.9 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.68 0.792 . . . . 45.15 111.494 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 50.8 mtm -66.09 -26.24 67.39 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.105 0.562 . . . . 74.32 110.486 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.6 t -74.19 102.76 4.38 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 107.937 -1.134 . . . . 73.41 107.937 167.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 74.9 t -59.22 -44.39 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.504 0.722 . . . . 50.33 111.129 -176.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.1 m -60.44 -51.64 68.6 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.396 0.679 . . . . 55.43 111.834 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.422 HD13 HD13 ' A' ' 6' ' ' LEU . 86.6 mt -64.91 -43.35 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.106 0.562 . . . . 64.52 110.808 -178.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -58.29 -48.18 81.28 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.614 0.766 . . . . 71.45 110.181 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -64.44 -32.68 74.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.796 0.839 . . . . 75.41 111.435 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.9 mtt -67.06 -43.52 82.44 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.935 0.494 . . . . 70.15 110.7 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.5 -44.37 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.48 0.712 . . . . 61.15 109.929 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -75.41 -25.0 57.22 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.807 0.843 . . . . 62.1 111.734 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.34 -40.49 74.07 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.738 0.815 . . . . 71.43 109.952 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.412 HG21 ' HB2' ' A' ' 37' ' ' SER . 59.8 mt -76.04 -26.49 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.19 -0.914 . . . . 74.1 109.789 172.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.52 -75.99 0.85 Allowed Glycine 0 C--N 1.346 1.125 0 N-CA-C 110.01 -1.236 . . . . 52.54 110.01 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -137.11 137.5 39.34 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.555 1.142 . . . . 60.22 108.347 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.412 ' HB2' HG21 ' A' ' 34' ' ' ILE . 40.0 t -149.58 107.28 3.67 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.326 0.65 . . . . 75.43 110.347 -176.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -83.58 -20.55 33.57 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.487 0.715 . . . . 63.12 110.27 175.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.5 p -65.17 139.79 97.72 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 123.385 0.674 . . . . 65.42 110.225 175.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -57.56 132.75 52.31 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.886 2.391 . . . . 51.42 112.298 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -87.45 107.23 14.09 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 108.107 -1.071 . . . . 75.21 108.107 176.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -90.0 122.28 1.03 Allowed 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.71 2.273 . . . . 73.34 112.021 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -98.95 101.16 11.43 Favored Pre-proline 0 CA--C 1.548 0.891 0 N-CA-C 108.58 -0.896 . . . . 71.5 108.58 175.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.77 50.63 3.22 Favored 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 123.107 2.538 . . . . 50.12 112.641 -175.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -148.39 -56.5 0.22 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.84 0.856 . . . . 72.0 109.419 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -80.93 121.12 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 CA-C-N 115.954 -0.567 . . . . 70.53 110.092 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.1 p -75.19 170.97 14.99 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.356 0.663 . . . . 73.42 110.574 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.8 p -65.79 -41.63 91.72 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.213 0.605 . . . . 74.12 111.45 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.1 m -58.34 -41.9 85.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.355 1.062 . . . . 62.53 111.16 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.631 HG23 HD23 ' A' ' 91' ' ' LEU . 44.5 mm -80.47 -46.14 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.572 -0.74 . . . . 71.21 110.556 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.34 -29.57 70.55 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.126 0.97 . . . . 71.44 111.075 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -51.92 -52.33 50.71 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.08 0.952 . . . . 73.33 110.191 171.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -77.75 -33.89 52.69 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.131 0.972 . . . . 71.44 112.574 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.545 HG11 HD12 ' A' ' 98' ' ' LEU . 54.9 t -59.83 -50.9 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 109.668 -0.493 . . . . 62.23 109.668 178.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.81 -26.11 59.49 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.658 0.783 . . . . 73.22 111.818 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.34 -53.13 61.31 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.186 0.594 . . . . 70.43 110.607 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -68.11 -36.46 79.79 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.857 0.723 . . . . 63.53 110.491 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.608 ' SG ' HD13 ' A' ' 100' ' ' ILE . 90.7 m -60.43 -42.88 96.99 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.163 0.289 . . . . 65.02 110.83 177.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -65.44 -44.65 86.62 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.018 -0.734 . . . . 71.41 109.018 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -57.54 -37.57 73.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.604 1.162 . . . . 71.02 111.824 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -79.44 -20.93 46.25 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.662 0.785 . . . . 64.3 110.88 -176.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -81.99 -38.15 25.55 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 116.303 -0.408 . . . . 74.11 109.907 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -71.41 -37.86 71.48 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.513 0.725 . . . . 74.31 110.205 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 . . . . . 0 N--CA 1.469 0.479 0 C-N-CA 124.647 1.179 . . . . 74.33 107.844 179.236 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 CA--C 1.552 1.054 0 N-CA-C 107.17 -1.418 . . . . 70.23 107.17 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.92 143.54 45.51 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.107 1.872 . . . . 73.24 111.82 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.57 -26.72 38.07 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 123.209 2.606 . . . . 62.12 113.06 173.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -58.43 -52.51 65.33 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.426 1.09 . . . . 62.23 110.269 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.47 -28.35 63.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.045 0.938 . . . . 74.14 111.116 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -66.1 -39.38 89.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.546 0.738 . . . . 75.4 110.544 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.93 -29.26 60.91 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.494 0.718 . . . . 71.23 110.96 174.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -64.88 -39.86 94.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.866 0.866 . . . . 64.41 110.433 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.0 m -73.54 -6.25 45.29 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.983 0.913 . . . . 72.5 112.642 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -80.07 77.01 6.79 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.236 0.541 . . . . 74.21 109.984 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.4 m -137.37 175.44 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.933 0.893 . . . . 73.33 109.769 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -75.47 163.48 27.35 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.103 0.561 . . . . 72.13 111.112 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.424 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 56.7 tp60 -62.01 -48.4 88.66 Favored Pre-proline 0 CA--C 1.562 1.425 0 CA-C-O 118.252 -0.88 . . . . 63.51 111.418 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.437 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 31.4 Cg_exo -60.9 -40.82 49.94 Favored 'Trans proline' 0 C--N 1.401 3.332 0 C-N-CA 121.973 1.782 . . . . 43.55 111.928 173.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 26.6 m -60.47 -36.02 77.29 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.12 0.968 . . . . 75.02 111.549 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 mt -55.44 -46.3 76.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.422 0.689 . . . . 64.24 110.539 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' B' ' 89' ' ' PHE . 66.7 m-85 -70.8 -34.25 71.55 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.851 -0.613 . . . . 73.45 111.416 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 10.1 mm-40 -64.66 -33.96 77.16 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.011 0.524 . . . . 75.22 110.635 177.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.631 HD23 HG23 ' A' ' 50' ' ' ILE . 96.1 mt -69.16 -38.98 79.04 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.299 0.64 . . . . 74.42 110.512 175.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.46 -43.03 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.727 0.811 . . . . 53.0 110.526 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 91.8 mt -68.27 -40.01 82.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.487 0.715 . . . . 74.52 110.618 -177.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.32 66.95 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.401 0.68 . . . . 74.25 111.401 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.473 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.34 -34.7 68.24 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.281 0.632 . . . . 64.05 111.022 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -73.98 -37.4 64.46 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.678 0.791 . . . . 54.21 110.024 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -66.39 -40.4 89.63 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.884 0.874 . . . . 64.22 111.009 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.545 HD12 HG11 ' A' ' 54' ' ' VAL . 86.4 mt -95.91 -3.58 45.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.274 0.63 . . . . 74.13 111.632 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.54 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 2.9 t70 60.42 30.14 19.56 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.315 1.446 . . . . 72.33 111.825 175.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.608 HD13 ' SG ' ' A' ' 58' ' ' CYS . 46.1 mt -81.79 91.51 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 108.708 -0.849 . . . . 75.05 108.708 176.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -59.87 -42.62 91.77 Favored Pre-proline 0 CA--C 1.56 1.349 0 CA-C-N 114.517 -1.22 . . . . 73.13 112.436 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.7 -53.18 6.92 Favored 'Trans proline' 0 C--N 1.403 3.432 0 C-N-CA 122.633 2.222 . . . . 72.11 113.35 173.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.4 tm? -68.18 -39.21 82.59 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.042 0.537 . . . . 60.12 110.33 -176.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.594 HD21 HD21 ' B' ' 104' ' ' LEU . 59.9 tp -58.54 -47.49 84.02 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.79 0.836 . . . . 73.23 110.412 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.1 -50.85 60.16 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.089 0.868 . . . . 72.22 110.71 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.1 -47.79 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.526 0.73 . . . . 73.12 111.452 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.427 HG21 ' HB2' ' A' ' 91' ' ' LEU . 35.8 m -68.94 -42.35 76.86 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.712 0.405 . . . . 62.41 111.319 -177.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.1 m -65.71 -33.61 76.27 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.665 0.386 . . . . 73.14 111.11 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.42 -37.23 71.49 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.571 0.748 . . . . 75.55 110.017 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -61.83 -45.87 91.93 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.775 0.83 . . . . 74.54 111.015 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 107' ' ' THR . 42.1 t -65.77 -37.53 80.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.863 0 CA-C-N 115.914 -0.585 . . . . 74.52 109.914 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.22 -35.37 80.26 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.349 -0.842 . . . . 75.32 110.969 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.38 -33.16 75.22 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.73 0.812 . . . . 63.55 111.27 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 35.8 mtm -66.84 -38.01 85.57 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.737 -0.665 . . . . 64.13 110.965 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.4 pt -92.92 -8.74 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.856 0.463 . . . . 70.43 111.422 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.01 91.77 1.6 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.243 0.617 . . . . 74.44 110.794 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.186 0 CA-C-N 115.095 -0.957 . . . . 55.11 111.403 170.534 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.373 -0.232 . . . . 74.55 110.373 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.0 mt -90.74 122.55 33.59 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.743 0.817 . . . . 70.22 110.514 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 m -90.49 131.1 38.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 N-CA-C 108.7 -0.852 . . . . 73.24 108.7 167.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.49 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 96.5 mttt -85.82 94.69 9.21 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.569 0.748 . . . . 72.31 109.976 -174.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.415 HD13 HD13 ' B' ' 27' ' ' ILE . 81.4 mt -93.37 92.72 7.8 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.685 -0.487 . . . . 61.3 109.685 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.491 ' HA ' ' HA ' ' B' ' 13' ' ' VAL . 43.1 tt0 -75.97 135.8 40.03 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.669 -0.696 . . . . 74.42 109.702 175.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 63.1 p -83.17 175.64 9.8 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.574 0.75 . . . . 74.32 110.561 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 55.9 p -65.21 -23.39 67.07 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.267 0.627 . . . . 74.31 110.777 171.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -85.62 8.25 20.22 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.305 1.042 . . . . 64.34 111.171 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 71.01 7.33 6.18 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 125.061 1.344 . . . . 73.21 113.742 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -92.67 123.46 35.97 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.12 -0.696 . . . . 62.44 109.12 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' B' ' 7' ' ' GLU . 47.6 t -87.84 123.34 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.009 0.924 . . . . 51.23 110.229 -175.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -109.2 102.43 11.37 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.013 0.925 . . . . 74.13 108.76 175.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.49 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 37.6 mt-10 -81.79 94.94 7.14 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.3 0.64 . . . . 70.23 109.955 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 tp -104.5 152.17 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.061 -1.089 . . . . 52.51 108.061 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.11 143.19 57.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.995 -0.372 . . . . 71.42 109.995 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.37 -40.95 96.84 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.71 0.804 . . . . 73.12 110.841 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.46 -27.65 57.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.478 1.111 . . . . 73.44 112.115 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -81.69 -45.63 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.906 0.882 . . . . 75.03 109.722 175.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.26 -9.36 58.53 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.13 0.972 . . . . 74.02 112.617 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 95.4 m -71.16 -27.03 63.26 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.545 0.738 . . . . 74.32 111.545 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 50.2 mtm -66.71 -29.31 69.27 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.075 0.55 . . . . 71.42 110.19 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -71.41 103.02 2.78 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.121 -1.066 . . . . 70.44 108.121 167.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 88.3 t -59.89 -43.78 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.361 0.664 . . . . 75.41 111.099 -175.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.8 m -60.87 -51.37 69.57 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.337 0.655 . . . . 74.43 111.766 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.415 HD13 HD13 ' B' ' 6' ' ' LEU . 85.8 mt -64.83 -43.77 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 123.189 0.596 . . . . 63.0 110.848 -178.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -57.98 -48.33 80.31 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.017 0.823 . . . . 74.55 110.364 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -64.45 -32.21 73.74 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.812 0.845 . . . . 75.12 111.4 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 60.3 mtt -67.57 -43.3 80.96 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.985 0.514 . . . . 73.43 110.533 176.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.51 -45.54 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.473 0.709 . . . . 72.05 109.786 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -73.48 -26.33 60.86 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.025 0.93 . . . . 62.21 111.726 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.08 -41.54 77.38 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.49 0.716 . . . . 65.03 110.092 176.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.402 HG21 ' HB2' ' B' ' 37' ' ' SER . 61.7 mt -75.48 -26.15 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 CA-C-N 115.189 -0.914 . . . . 72.34 109.872 173.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.87 -77.07 0.9 Allowed Glycine 0 C--N 1.348 1.23 0 N-CA-C 109.865 -1.294 . . . . 65.35 109.865 -173.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -137.12 136.14 38.03 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.233 1.013 . . . . 72.45 108.598 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.402 ' HB2' HG21 ' B' ' 34' ' ' ILE . 31.5 t -147.79 109.24 4.35 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.253 0.621 . . . . 62.54 109.804 -176.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -84.81 -20.91 30.21 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.569 0.748 . . . . 74.31 110.396 174.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.3 p -63.9 140.37 97.83 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.51 0.724 . . . . 63.32 110.455 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -58.27 131.67 44.4 Favored 'Trans proline' 0 C--N 1.381 2.247 0 C-N-CA 122.709 2.273 . . . . 53.34 112.236 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -86.53 107.38 13.47 Favored Pre-proline 0 CA--C 1.554 1.102 0 N-CA-C 108.222 -1.029 . . . . 75.24 108.222 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -90.21 122.44 0.98 Allowed 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.568 2.179 . . . . 71.44 111.827 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -98.76 101.64 12.62 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 123.953 0.901 . . . . 62.4 108.611 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -84.58 51.26 3.19 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 123.14 2.56 . . . . 64.54 112.33 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -149.0 -56.47 0.2 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.728 0.811 . . . . 72.4 109.445 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -81.14 121.24 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 CA-C-N 116.1 -0.5 . . . . 71.12 110.242 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 80.4 p -74.62 170.63 15.4 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.768 0.827 . . . . 64.2 110.628 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 84.7 p -67.09 -40.65 86.99 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.993 0.517 . . . . 74.41 111.296 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 61.9 m -58.73 -41.48 86.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.142 0.977 . . . . 71.42 111.08 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.611 HG23 HD23 ' B' ' 91' ' ' LEU . 44.5 mm -80.66 -45.81 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 115.784 -0.643 . . . . 72.24 110.421 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 tp -62.41 -29.29 70.39 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.005 0.922 . . . . 73.11 111.226 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -52.1 -52.49 51.1 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.155 0.982 . . . . 72.04 110.147 171.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -77.56 -34.04 53.84 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.029 0.932 . . . . 72.03 112.567 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.568 HG11 HD12 ' B' ' 98' ' ' LEU . 54.1 t -59.6 -50.73 78.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 109.734 -0.469 . . . . 63.23 109.734 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 86.9 mt -75.0 -26.43 59.54 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.667 0.787 . . . . 74.43 111.784 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.79 -51.67 67.34 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.239 0.615 . . . . 74.35 110.491 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -67.69 -37.33 82.17 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 116.051 -0.522 . . . . 73.31 110.564 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.61 ' SG ' HD13 ' B' ' 100' ' ' ILE . 90.4 m -60.29 -42.82 96.27 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 123.072 0.232 . . . . 63.11 110.792 178.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -64.76 -45.2 87.38 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.045 -0.724 . . . . 72.43 109.045 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -57.83 -37.37 73.7 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.53 1.132 . . . . 64.13 111.71 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -79.36 -20.9 46.61 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.737 0.815 . . . . 74.12 110.854 -175.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -81.65 -38.79 25.37 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.817 -0.438 . . . . 64.44 109.817 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -71.39 -38.05 71.53 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.665 0.786 . . . . 60.52 110.015 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 . . . . . 0 N--CA 1.471 0.609 0 C-N-CA 124.914 1.286 . . . . 75.02 107.9 178.738 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 CA--C 1.551 0.991 0 N-CA-C 107.226 -1.398 . . . . 73.14 107.226 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.43 143.07 46.57 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.057 1.838 . . . . 72.12 111.728 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.01 -26.82 33.45 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.219 2.613 . . . . 73.43 112.879 172.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -58.53 -52.32 66.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.432 1.093 . . . . 65.03 110.5 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.45 -28.27 63.84 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.971 0.908 . . . . 71.45 111.343 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -65.83 -40.22 91.57 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.624 0.77 . . . . 75.31 110.634 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.04 -30.66 62.53 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.483 0.713 . . . . 74.1 110.808 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.96 -39.71 95.49 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.485 0.714 . . . . 74.44 110.493 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 71.9 m -73.86 -6.73 48.95 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.117 -0.947 . . . . 71.22 112.377 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -79.75 76.3 6.42 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.022 0.529 . . . . 75.4 110.093 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.3 m -137.08 173.64 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.967 0.907 . . . . 71.44 109.787 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.23 164.44 26.68 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.203 0.601 . . . . 71.11 110.89 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.419 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 54.1 tp60 -63.01 -48.35 84.72 Favored Pre-proline 0 CA--C 1.557 1.232 0 CA-C-O 118.229 -0.891 . . . . 72.31 111.571 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 32.3 Cg_exo -60.17 -40.99 55.2 Favored 'Trans proline' 0 C--N 1.403 3.399 0 C-N-CA 122.061 1.84 . . . . 72.03 111.988 173.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.7 m -61.09 -35.84 78.05 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.368 1.067 . . . . 71.44 111.549 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 37.4 mt -55.73 -46.39 77.8 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.358 0.663 . . . . 62.14 110.568 173.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' A' ' 89' ' ' PHE . 66.6 m-85 -70.58 -34.44 72.18 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.693 0.621 . . . . 70.32 111.376 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 17.2 mm-40 -64.07 -34.54 78.26 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.139 0.576 . . . . 72.52 110.803 177.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.611 HD23 HG23 ' B' ' 50' ' ' ILE . 96.1 mt -68.99 -38.82 79.53 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.404 0.681 . . . . 74.44 110.421 175.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 86.1 mt -65.62 -42.92 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 123.666 0.786 . . . . 63.21 110.524 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 90.5 mt -68.28 -40.24 81.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.487 0.715 . . . . 74.23 110.637 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.79 -32.29 67.48 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.54 0.736 . . . . 43.0 111.381 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.482 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -72.55 -34.08 67.27 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.339 0.656 . . . . 73.44 111.083 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -73.96 -38.95 64.05 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.657 0.783 . . . . 74.23 110.122 175.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.07 -40.91 95.35 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.106 0.962 . . . . 73.41 111.059 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.568 HD12 HG11 ' B' ' 54' ' ' VAL . 86.0 mt -95.58 -4.61 44.31 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.51 0.724 . . . . 74.35 111.623 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.54 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 1.8 t70 62.06 29.26 17.6 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 125.28 1.432 . . . . 44.43 111.734 174.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.61 HD13 ' SG ' ' B' ' 58' ' ' CYS . 45.5 mt -81.51 92.32 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 108.801 -0.814 . . . . 73.53 108.801 176.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -60.54 -42.53 88.85 Favored Pre-proline 0 CA--C 1.56 1.342 0 CA-C-N 114.654 -1.157 . . . . 64.1 112.477 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.06 -52.63 7.92 Favored 'Trans proline' 0 C--N 1.403 3.415 0 C-N-CA 122.605 2.204 . . . . 75.53 113.353 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.4 tm? -68.37 -39.67 81.69 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 122.965 0.506 . . . . 53.22 110.301 -176.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.594 HD21 HD21 ' A' ' 104' ' ' LEU . 59.3 tp -58.06 -47.51 82.94 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.834 0.853 . . . . 73.04 110.527 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -67.2 -50.82 59.46 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 124.103 0.877 . . . . 71.13 110.73 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.13 -48.05 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.539 0.736 . . . . 70.2 111.394 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.425 HG21 ' HB2' ' B' ' 91' ' ' LEU . 36.1 m -68.59 -42.57 78.02 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 122.723 0.409 . . . . 73.01 111.361 -176.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 94.2 m -65.32 -34.15 77.66 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.742 0.417 . . . . 74.44 111.089 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.1 -36.47 72.2 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.616 0.767 . . . . 62.53 110.234 175.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 99.8 m -62.59 -46.0 90.34 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.698 0.799 . . . . 60.51 110.896 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 107' ' ' THR . 42.7 t -65.56 -36.98 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 123.142 0.577 . . . . 71.21 110.055 177.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.84 81.2 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.289 -0.869 . . . . 64.03 110.924 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -64.55 -32.45 74.11 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.554 0.742 . . . . 72.42 111.185 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 34.9 mtm -67.49 -38.35 84.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.944 -0.571 . . . . 74.43 110.782 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.2 pt -91.42 -10.24 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 122.81 0.444 . . . . 61.21 111.468 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.918 0 C-N-CA 123.092 0.557 . . . . 73.32 110.847 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.2 mt . . . . . 0 CA--C 1.539 0.556 0 N-CA-C 110.342 -0.244 . . . . 61.43 110.342 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.6 m -70.32 111.37 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 108.458 -0.941 . . . . 75.4 108.458 168.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.538 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 93.4 mttt -81.75 81.57 7.74 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.964 -1.016 . . . . 70.42 109.481 -174.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.416 HD23 ' HB ' ' A' ' 41' ' ' ILE . 85.8 mt -79.06 84.84 5.02 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 114.618 -1.173 . . . . 73.21 110.205 -176.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 42.8 tt0 -75.27 118.93 18.72 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.126 -0.943 . . . . 63.53 108.978 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 p -67.45 175.52 2.76 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.724 0.81 . . . . 41.43 111.748 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 p -65.41 -25.1 67.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.416 0.686 . . . . 64.03 110.738 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.05 0.37 32.14 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.246 1.018 . . . . 72.32 111.187 175.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 73.39 10.7 4.99 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.133 1.373 . . . . 73.34 113.164 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -84.54 123.21 30.04 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.474 -0.565 . . . . 72.54 109.474 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 40.6 t -88.2 109.08 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 123.784 0.834 . . . . 74.23 110.375 -172.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -92.23 90.89 7.48 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.584 0.754 . . . . 75.53 109.521 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 35.5 mt-10 -77.58 86.13 3.92 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.924 -1.034 . . . . 64.42 109.106 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.446 HD11 HG21 ' A' ' 20' ' ' ILE . 17.7 tt -110.74 152.6 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 115.066 -0.97 . . . . 73.4 108.854 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HB2' HG13 ' A' ' 20' ' ' ILE . 38.2 mt-10 -61.7 137.39 58.24 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.944 0.498 . . . . 63.41 110.36 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -65.69 -31.35 72.31 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.399 0.437 . . . . 64.33 110.868 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.85 -23.98 67.57 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.563 0.745 . . . . 61.53 112.152 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.539 HG13 ' HB2' ' A' ' 17' ' ' GLU . 46.2 mt -80.16 -44.05 22.38 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 121.41 0.624 . . . . 74.41 109.39 172.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.62 8.31 4.55 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.243 1.017 . . . . 53.54 112.625 -178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.0 m -75.26 -28.03 59.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.183 0.593 . . . . 74.1 110.978 168.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.47 -25.3 65.82 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.037 0.535 . . . . 74.01 110.224 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.0 m -73.39 101.8 3.57 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.345 -0.843 . . . . 63.12 108.828 163.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.455 HG13 ' HE3' ' A' ' 28' ' ' LYS . 97.6 t -67.12 -34.86 72.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 116.011 -0.54 . . . . 73.35 110.241 176.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.1 m -64.02 -48.22 77.2 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.646 0.378 . . . . 75.22 110.679 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.81 -48.36 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 123.576 0.547 . . . . 74.41 110.54 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.556 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 17.2 pttp -60.12 -43.51 95.58 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 123.626 0.579 . . . . 61.35 109.667 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -58.86 -44.77 91.09 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 123.627 0.771 . . . . 72.4 111.061 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 71.5 mtm -60.55 -43.01 97.72 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 124.123 0.889 . . . . 74.41 110.573 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.5 mt -66.44 -32.88 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.634 0.774 . . . . 64.23 110.653 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 47.0 mt-10 -76.26 -33.93 59.16 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.327 0.651 . . . . 72.45 111.202 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -71.52 -44.18 65.1 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.188 0.518 . . . . 73.15 110.241 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.9 mt -71.58 -30.33 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.035 -0.984 . . . . 70.23 109.823 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.51 -60.09 1.84 Allowed Glycine 0 C--N 1.343 0.924 0 N-CA-C 110.901 -0.88 . . . . 75.43 110.901 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -136.29 98.09 3.76 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.158 0.983 . . . . 73.11 109.458 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.601 ' HB3' HD11 ' A' ' 41' ' ' ILE . 44.0 m -95.45 68.59 2.99 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.61 0.764 . . . . 74.11 110.043 177.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.11 -28.2 62.13 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.503 -0.771 . . . . 72.13 110.458 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.7 m -65.38 150.48 95.74 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 124.189 0.996 . . . . 45.41 111.714 176.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.26 130.3 35.42 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 122.882 2.388 . . . . 63.11 111.369 175.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.601 HD11 ' HB3' ' A' ' 37' ' ' SER . 50.7 mm -91.4 107.94 25.33 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 123.412 0.685 . . . . 61.03 109.69 -177.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.46 142.54 21.02 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 121.831 1.688 . . . . 64.42 110.98 173.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -123.59 84.71 53.14 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 106.88 -1.526 . . . . 43.1 106.88 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -83.48 52.34 3.83 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 123.55 2.833 . . . . 75.21 112.595 -170.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -149.5 -58.32 0.2 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.482 1.113 . . . . 61.03 108.549 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -84.15 129.02 38.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 115.397 -0.82 . . . . 64.11 110.695 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.8 p -77.37 171.08 15.44 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.296 1.038 . . . . 72.32 110.789 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.2 p -69.59 -41.94 75.11 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.565 0.346 . . . . 70.24 111.852 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.6 m -57.57 -43.79 84.83 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.045 0.938 . . . . 62.31 111.011 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.501 HG23 HD23 ' A' ' 91' ' ' LEU . 48.1 mm -79.91 -44.99 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.151 -0.931 . . . . 71.23 110.453 -174.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.4 -30.08 70.86 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.313 0.645 . . . . 73.24 110.774 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.33 -48.96 79.49 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.405 0.682 . . . . 72.11 109.621 175.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.611 ' HD2' HD21 ' A' ' 91' ' ' LEU . 58.5 mttm -61.71 -51.94 66.31 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.107 0.879 . . . . 62.42 111.163 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 50' ' ' ILE . 48.3 t -61.2 -45.48 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-N 115.516 -0.766 . . . . 73.42 110.544 -173.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' HB3' HD12 ' A' ' 16' ' ' ILE . 73.5 mt -74.06 -29.11 61.73 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.294 0.638 . . . . 72.14 112.413 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -72.59 -36.8 68.23 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.694 0.398 . . . . 73.04 110.206 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -71.36 -36.55 71.52 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.027 -0.533 . . . . 75.42 110.038 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.654 ' SG ' HD13 ' A' ' 100' ' ' ILE . 98.8 m -61.39 -40.48 94.51 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.493 0.496 . . . . 54.1 110.615 174.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 48.5 ttp180 -61.6 -46.96 87.64 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.626 -0.715 . . . . 74.0 110.022 176.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -59.17 -43.48 92.12 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.158 0.983 . . . . 73.23 111.885 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -74.62 -21.01 59.68 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.886 0.874 . . . . 74.32 110.878 -178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.41 ' CG ' HG12 ' A' ' 20' ' ' ILE . 75.6 t60 -80.61 -36.03 33.29 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 110.053 -0.351 . . . . 71.42 110.053 174.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 65.5 mt-30 -70.93 -34.43 71.49 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.802 0.841 . . . . 73.03 110.301 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 CA--C 1.549 0.906 0 C-N-CA 124.207 1.003 . . . . 75.23 109.415 177.471 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.8 mm . . . . . 0 CA--C 1.556 1.18 0 N-CA-C 110.562 -0.162 . . . . 72.12 110.562 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -58.53 153.76 46.39 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.815 2.343 . . . . 55.4 112.602 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -51.8 -48.36 21.84 Favored 'Trans proline' 0 C--N 1.38 2.208 0 C-N-CA 123.999 3.133 . . . . 71.53 113.104 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -54.14 -50.95 65.79 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.766 0.666 . . . . 74.53 111.247 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.67 -32.97 74.13 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.07 0.856 . . . . 72.11 111.431 -173.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 52.7 ttp180 -74.78 -55.09 6.21 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.321 -0.4 . . . . 71.14 110.177 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.3 -33.07 67.3 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 123.999 0.919 . . . . 71.34 111.622 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -61.29 -51.67 67.91 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.494 1.117 . . . . 75.1 110.292 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 81.8 m -76.58 -13.55 60.07 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.433 -0.803 . . . . 44.24 111.663 -175.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 78' ' ' ARG . 31.8 mmmt -75.17 84.69 2.38 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.106 -0.702 . . . . 65.04 109.106 172.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -125.37 171.13 14.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 124.64 1.176 . . . . 73.53 109.386 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.83 167.03 21.78 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.37 0.668 . . . . 74.1 110.384 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 55.7 tp60 -59.56 -51.28 82.28 Favored Pre-proline 0 CA--C 1.567 1.623 0 N-CA-C 113.391 0.886 . . . . 73.25 113.391 -169.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 23.9 Cg_exo -65.29 -32.98 50.07 Favored 'Trans proline' 0 C--N 1.391 2.808 0 C-N-CA 121.998 1.799 . . . . 65.5 112.075 174.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.6 m -66.04 -32.43 73.89 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.954 0.902 . . . . 71.33 111.213 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 85' ' ' GLN . 79.2 mt -56.33 -49.67 73.65 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.963 0.905 . . . . 72.03 109.729 172.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -69.48 -34.33 74.18 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.091 -0.958 . . . . 74.45 111.443 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -61.32 -40.75 95.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.081 0.553 . . . . 65.11 111.202 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.611 HD21 ' HD2' ' A' ' 53' ' ' LYS . 83.7 mt -73.47 -32.89 64.57 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.58 0.752 . . . . 73.42 111.437 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.95 -43.94 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 123.373 0.669 . . . . 61.24 109.794 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.4 -40.2 77.49 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.746 0.818 . . . . 65.12 110.901 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.86 76.51 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.863 0.865 . . . . 33.13 111.719 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.558 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -68.36 -40.38 81.48 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.381 -0.827 . . . . 75.31 111.008 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -70.37 -32.72 70.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.225 0.61 . . . . 72.33 110.385 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -62.45 -44.0 97.47 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.253 1.021 . . . . 74.35 111.178 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.7 mt -98.61 -4.73 33.31 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.944 0.497 . . . . 63.0 111.887 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.9 t0 51.58 50.17 19.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.185 1.394 . . . . 70.44 111.593 -173.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.654 HD13 ' SG ' ' A' ' 58' ' ' CYS . 58.6 mt -88.05 91.7 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 114.595 -1.184 . . . . 62.14 108.215 171.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 102' ' ' PRO . 53.4 mttm -62.5 -43.04 83.17 Favored Pre-proline 0 CA--C 1.557 1.249 0 CA-C-N 114.35 -1.296 . . . . 74.33 112.997 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 9.6 Cg_endo -52.49 -41.37 68.16 Favored 'Trans proline' 0 C--N 1.4 3.282 0 C-N-CA 122.363 2.042 . . . . 53.12 113.469 174.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.558 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.6 tm? -81.06 -42.0 21.72 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.674 0.39 . . . . 73.24 110.106 -178.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.656 HD21 HD21 ' B' ' 104' ' ' LEU . 48.7 tp -58.5 -48.62 80.21 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.813 0.845 . . . . 74.31 110.888 -176.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.52 -51.7 68.34 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.316 1.01 . . . . 71.03 110.407 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.98 -40.82 90.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 115.674 -0.694 . . . . 74.22 111.865 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -70.3 -36.2 74.18 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 120.918 0.39 . . . . 65.11 110.976 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 71.3 m -69.62 -29.25 66.71 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.181 0.592 . . . . 73.35 110.697 174.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.64 -31.5 59.85 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.249 0.62 . . . . 72.01 110.597 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.5 m -65.67 -45.75 81.72 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.473 0.709 . . . . 65.52 110.936 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -68.7 -32.15 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 116.216 -0.447 . . . . 52.42 110.322 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.63 -25.21 62.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.294 0.638 . . . . 50.54 111.592 173.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HA ' ' HB2' ' A' ' 116' ' ' ARG . 14.3 m-80 -67.73 -26.6 66.22 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.799 0.44 . . . . 74.15 111.025 176.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 69.3 mtm -72.6 -29.05 63.17 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.845 0.458 . . . . 75.15 111.108 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 37.5 pt -101.88 -1.92 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.507 0.723 . . . . 63.33 111.62 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.48 ' HB2' ' HA ' ' A' ' 113' ' ' ASN . 32.2 tpt180 -59.41 99.86 0.07 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.191 0.997 . . . . 52.31 111.212 -176.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.814 -0.992 . . . . 53.41 112.145 176.058 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.026 0.441 . . . . 71.44 110.477 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -99.1 119.08 37.25 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.27 -0.877 . . . . 74.4 110.354 -174.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.5 m -70.01 110.99 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.485 -0.932 . . . . 73.25 108.485 168.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.547 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 92.6 mttt -81.38 81.84 7.4 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.876 -1.056 . . . . 74.45 109.3 -174.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.0 mt -79.42 84.99 5.25 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 114.728 -1.123 . . . . 64.23 110.19 -176.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' B' ' 13' ' ' VAL . 39.9 tt0 -75.55 119.15 19.21 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.245 -0.889 . . . . 50.13 108.97 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.9 p -67.8 174.4 3.67 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.845 0.858 . . . . 61.33 111.597 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.8 p -64.52 -25.67 68.09 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.537 0.735 . . . . 63.25 110.794 172.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.73 -1.3 33.9 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.363 1.065 . . . . 75.22 111.478 175.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 74.7 11.92 3.78 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.293 1.437 . . . . 74.43 113.142 173.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -85.75 123.7 31.42 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.488 -0.56 . . . . 65.25 109.488 172.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.472 ' HA ' ' HA ' ' B' ' 7' ' ' GLU . 40.1 t -88.36 109.34 19.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.047 0.939 . . . . 60.21 110.193 -172.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -92.49 91.61 7.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.385 0.674 . . . . 74.43 109.443 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.547 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.1 mt-10 -78.56 84.98 4.65 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.177 -0.92 . . . . 73.42 109.541 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.455 HD11 HG21 ' B' ' 20' ' ' ILE . 17.6 tt -109.91 152.19 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.072 0.949 . . . . 73.45 108.924 -176.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.518 ' HB2' HG13 ' B' ' 20' ' ' ILE . 40.5 mt-10 -61.61 136.81 58.15 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.901 0.48 . . . . 63.43 110.289 -178.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -65.19 -30.87 71.81 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 123.468 0.48 . . . . 70.43 110.826 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.93 -22.99 67.17 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.387 0.675 . . . . 62.12 112.246 176.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.518 HG13 ' HB2' ' B' ' 17' ' ' GLU . 46.8 mt -80.53 -43.71 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.376 0.67 . . . . 73.35 109.526 171.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.03 8.22 5.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.235 1.014 . . . . 60.54 112.438 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.2 m -74.82 -29.79 61.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.073 0.549 . . . . 74.22 110.808 168.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 71.0 mtm -65.8 -25.7 67.36 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 122.994 0.517 . . . . 74.25 110.407 173.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 72.4 m -72.99 101.68 3.29 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 108.855 -0.794 . . . . 74.05 108.855 163.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.463 HG13 ' HE3' ' B' ' 28' ' ' LYS . 91.7 t -67.44 -33.95 65.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 116.064 -0.516 . . . . 72.4 110.074 176.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -64.39 -48.5 75.21 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.612 0.365 . . . . 51.2 110.606 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.97 -48.28 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.048 0.539 . . . . 74.12 110.472 -177.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' B' ' 32' ' ' GLU . 16.7 pttp -59.97 -43.58 95.01 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 123.587 0.554 . . . . 73.32 109.844 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.49 -44.53 93.04 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.577 0.751 . . . . 72.32 110.944 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 72.0 mtm -60.25 -42.68 95.83 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.005 0.816 . . . . 64.13 110.32 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.09 -33.49 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.491 0.716 . . . . 74.24 110.665 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 47.5 mt-10 -74.91 -33.88 62.08 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.316 0.646 . . . . 72.53 111.009 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -72.43 -43.19 64.18 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.233 0.613 . . . . 72.01 110.722 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 80.2 mt -72.98 -28.69 27.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 115.034 -0.984 . . . . 42.14 109.868 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.44 -59.33 2.61 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.671 -0.695 . . . . 73.24 111.412 -176.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -135.93 96.73 3.47 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.962 0.905 . . . . 73.2 109.428 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.591 ' HB3' HD11 ' B' ' 41' ' ' ILE . 30.6 m -94.78 73.01 3.59 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.342 0.592 . . . . 70.42 109.815 176.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.38 -28.72 56.86 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.161 -0.927 . . . . 74.45 110.35 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.9 m -66.52 149.45 98.08 Favored Pre-proline 0 CA--C 1.558 1.27 0 C-N-CA 123.999 0.919 . . . . 74.11 111.46 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.57 131.01 39.98 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.926 2.417 . . . . 71.43 111.012 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' B' ' 37' ' ' SER . 50.4 mm -91.7 107.77 24.74 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 123.3 0.64 . . . . 75.1 109.503 -176.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.97 142.28 21.95 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 121.784 1.656 . . . . 74.52 110.975 174.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.7 mt -123.64 85.63 53.03 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 106.971 -1.492 . . . . 73.23 106.971 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -83.83 49.85 2.98 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 123.651 2.901 . . . . 72.24 112.722 -170.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -147.07 -58.75 0.27 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.586 1.154 . . . . 75.43 108.857 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.65 128.64 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 115.235 -0.893 . . . . 70.11 110.653 -177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 82.5 p -76.83 171.57 14.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.189 0.996 . . . . 64.11 110.603 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.5 p -69.64 -43.48 72.54 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.766 0.426 . . . . 73.23 111.838 -175.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 91.3 m -56.83 -42.71 80.11 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.116 0.967 . . . . 74.4 111.248 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.501 HG23 HD23 ' B' ' 91' ' ' LEU . 48.0 mm -80.47 -45.18 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-N 115.126 -0.943 . . . . 44.11 110.528 -174.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.3 tp -65.16 -30.23 71.13 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.384 0.674 . . . . 75.34 110.83 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -60.01 -48.43 81.73 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.513 0.725 . . . . 43.54 109.733 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.6 ' HD2' HD21 ' B' ' 91' ' ' LEU . 58.0 mttm -62.13 -52.08 65.28 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 124.157 0.911 . . . . 72.14 111.208 -179.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 50' ' ' ILE . 48.2 t -61.32 -45.12 99.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.284 -0.871 . . . . 74.41 110.437 -172.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 70.6 mt -74.37 -29.38 61.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.33 0.652 . . . . 74.12 112.438 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -73.28 -36.24 66.29 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.925 0.393 . . . . 72.31 110.425 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -70.87 -36.6 72.86 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.927 -0.579 . . . . 73.55 109.928 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.659 ' SG ' HD13 ' B' ' 100' ' ' ILE . 99.8 m -61.56 -40.39 94.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.883 0.473 . . . . 64.3 110.663 174.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -62.0 -46.03 90.99 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.485 0.714 . . . . 63.0 110.308 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -59.98 -42.86 95.11 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.148 0.979 . . . . 72.54 111.675 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -75.53 -21.25 58.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.703 0.801 . . . . 62.34 110.875 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . 0.417 ' CG ' HG12 ' B' ' 20' ' ' ILE . 75.9 t60 -80.48 -35.04 35.33 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.826 -0.435 . . . . 74.24 109.826 174.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.57 -36.59 73.69 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.94 0.896 . . . . 73.42 110.795 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 CA--C 1.547 0.828 0 C-N-CA 124.171 0.988 . . . . 71.21 108.977 177.687 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.1 mm . . . . . 0 CA--C 1.556 1.185 0 N-CA-C 110.698 -0.112 . . . . 54.53 110.698 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -58.63 152.53 55.23 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.934 2.423 . . . . 75.24 112.714 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.81 -47.24 27.43 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 123.944 3.096 . . . . 42.1 113.111 -176.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -54.67 -51.53 65.19 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.804 0.69 . . . . 73.24 111.276 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.09 -33.42 74.4 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 124.104 0.877 . . . . 73.52 111.288 -173.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 52.3 ttp180 -74.32 -55.1 6.4 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.26 -0.427 . . . . 74.25 110.196 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.71 -31.85 68.64 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.762 0.825 . . . . 74.34 111.721 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.29 -51.48 68.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.208 1.003 . . . . 62.44 110.333 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 83.8 m -76.74 -13.04 60.07 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.643 -0.708 . . . . 63.33 111.796 -175.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 78' ' ' ARG . 31.9 mmmt -74.91 85.53 2.24 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 109.159 -0.682 . . . . 75.33 109.159 171.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 29.1 m -126.75 168.68 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.746 1.218 . . . . 74.55 109.729 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.47 166.52 20.29 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.114 0.565 . . . . 74.01 110.816 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.466 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 51.6 tp60 -58.3 -52.47 74.37 Favored Pre-proline 0 N--CA 1.49 1.548 0 N-CA-C 113.673 0.99 . . . . 64.04 113.673 -169.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.466 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 22.8 Cg_exo -65.34 -32.48 50.62 Favored 'Trans proline' 0 C--N 1.387 2.585 0 C-N-CA 121.94 1.76 . . . . 61.42 111.968 175.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 8.0 m -65.39 -32.9 74.78 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.771 0.828 . . . . 73.01 111.248 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 85' ' ' GLN . 78.5 mt -56.0 -49.26 74.14 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.033 0.933 . . . . 71.1 109.825 172.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -69.62 -34.91 74.75 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.082 -0.963 . . . . 53.11 111.573 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -61.03 -40.6 94.21 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.154 0.582 . . . . 62.31 111.007 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.6 HD21 ' HD2' ' B' ' 53' ' ' LYS . 84.6 mt -73.21 -33.23 65.25 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.462 0.705 . . . . 73.34 111.522 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.72 -44.06 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.335 0.654 . . . . 74.42 109.933 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.53 -39.87 77.26 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.718 0.807 . . . . 64.4 110.859 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.85 -39.21 76.52 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.824 0.849 . . . . 73.53 111.685 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.555 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -68.31 -40.41 81.71 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.474 -0.784 . . . . 71.43 111.003 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.27 -32.22 69.94 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.111 0.564 . . . . 72.41 110.459 176.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -62.33 -44.6 96.12 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.201 1.0 . . . . 74.21 111.213 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.9 mt -98.3 -4.76 34.4 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.948 0.499 . . . . 51.34 112.004 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 24.7 t0 51.93 49.89 19.76 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.104 1.362 . . . . 61.11 111.608 -173.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.659 HD13 ' SG ' ' B' ' 58' ' ' CYS . 58.9 mt -88.2 91.79 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 114.565 -1.198 . . . . 71.55 108.225 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' B' ' 102' ' ' PRO . 53.1 mttm -62.13 -43.49 86.2 Favored Pre-proline 0 CA--C 1.559 1.319 0 CA-C-N 114.174 -1.376 . . . . 74.12 113.021 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' B' ' 101' ' ' LYS . 9.3 Cg_endo -52.43 -41.42 67.38 Favored 'Trans proline' 0 C--N 1.401 3.308 0 C-N-CA 122.378 2.052 . . . . 73.44 113.435 174.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.6 tm? -80.84 -41.74 22.71 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 110.103 -0.332 . . . . 74.3 110.103 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 104' ' ' LEU . 48.7 tp -58.76 -48.2 82.02 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.87 0.868 . . . . 64.31 110.831 -176.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.58 -51.51 68.23 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 124.417 1.073 . . . . 72.34 110.42 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 80.5 t -62.57 -41.03 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 C-N-CA 123.298 0.639 . . . . 71.24 111.936 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 29.0 m -70.05 -36.05 74.7 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 120.961 0.41 . . . . 53.44 111.158 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 71.0 m -69.57 -29.41 66.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.883 -0.598 . . . . 63.05 110.742 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.9 -31.49 59.21 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.237 0.615 . . . . 72.24 110.589 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 92.0 m -65.94 -45.39 81.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.472 0.709 . . . . 74.3 111.097 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -68.61 -31.91 52.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 116.299 -0.41 . . . . 72.44 110.457 175.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.19 -24.97 62.33 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.403 0.681 . . . . 70.3 111.501 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . 0.444 ' HA ' ' HB2' ' B' ' 116' ' ' ARG . 13.1 m-80 -67.81 -25.72 65.71 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.004 0.522 . . . . 63.23 111.25 176.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 70.7 mtm -73.08 -30.06 63.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.953 0.501 . . . . 70.35 110.988 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 37.3 pt -101.96 -1.51 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 C-N-CA 123.613 0.765 . . . . 73.22 111.721 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . 0.444 ' HB2' ' HA ' ' B' ' 113' ' ' ASN . 31.7 tpt180 . . . . . 0 N--CA 1.485 1.318 0 C-N-CA 124.282 1.033 . . . . 74.2 111.307 -176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.426 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 53.4 mt . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 120.407 0.146 . . . . 72.24 110.92 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -99.26 148.31 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 108.25 -1.018 . . . . 71.52 108.25 166.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.574 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 95.9 mttt -95.02 132.78 39.51 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 122.824 0.45 . . . . 74.02 110.94 -171.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -122.54 107.36 11.92 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.93 0.892 . . . . 75.12 109.534 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.409 ' HG3' HG22 ' A' ' 13' ' ' VAL . 4.3 mt-10 -83.64 119.67 25.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.385 -0.598 . . . . 63.24 109.385 175.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 p -74.38 -177.19 2.96 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.419 0.688 . . . . 70.41 111.173 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -60.99 -22.56 64.63 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.407 0.683 . . . . 72.41 111.708 173.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -95.2 12.03 30.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.959 0.904 . . . . 72.1 111.436 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 66.1 16.1 10.32 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.198 0.999 . . . . 72.15 112.256 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -82.04 121.76 26.96 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 123.169 0.587 . . . . 64.12 109.682 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.426 HG13 ' HB3' ' A' ' 5' ' ' LYS . 68.1 t -83.13 94.66 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.061 0.945 . . . . 63.11 110.21 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -84.2 93.31 8.15 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.359 -0.608 . . . . 72.42 109.359 172.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 44.7 mt-10 -71.78 93.81 1.33 Allowed 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.346 -0.983 . . . . 74.34 108.346 174.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 55' ' ' LEU . 10.4 tp -98.31 152.92 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 115.231 -0.895 . . . . 75.22 109.416 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -61.44 141.52 57.61 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 120.995 0.426 . . . . 55.32 110.793 174.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HE3' HD13 ' A' ' 31' ' ' ILE . 22.5 tptm -61.43 -39.17 89.79 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.636 -1.165 . . . . 75.44 110.952 -176.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.16 -39.5 90.33 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 123.871 0.732 . . . . 73.34 110.795 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.533 HG23 ' HB3' ' A' ' 58' ' ' CYS . 76.1 mt -68.0 -44.1 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.245 1.018 . . . . 73.22 110.448 178.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.63 -25.7 66.72 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.254 -0.884 . . . . 62.14 111.57 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.5 m -75.45 -35.97 60.8 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.568 0.747 . . . . 71.13 111.175 172.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 42.5 mtm -62.36 -34.44 76.67 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.323 0.582 . . . . 72.35 110.291 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.468 ' HA ' HG12 ' A' ' 100' ' ' ILE . 34.2 t -72.44 104.22 3.72 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.748 -1.115 . . . . 70.31 108.233 169.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 57.5 t -63.31 -40.35 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.118 0.567 . . . . 75.25 111.703 -171.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.1 m -63.69 -46.69 84.34 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.569 0.748 . . . . 73.35 112.242 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.97 -42.03 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 109.827 -0.434 . . . . 75.45 109.827 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -55.58 -44.42 76.9 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.028 0.931 . . . . 71.55 110.827 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -64.76 -38.48 91.12 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.469 0.708 . . . . 74.12 111.008 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -46.4 90.78 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.289 0.635 . . . . 74.12 110.248 176.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.414 HD13 ' HE3' ' A' ' 18' ' ' LYS . 95.1 mt -59.97 -49.8 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 124.006 0.816 . . . . 74.2 110.161 178.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.71 -35.1 79.79 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.805 0.842 . . . . 75.54 111.928 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.53 -38.23 65.34 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.614 0.765 . . . . 52.14 110.967 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.7 mt -83.37 -6.02 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 CA-C-N 115.663 -0.698 . . . . 63.21 109.838 174.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.96 -58.75 1.04 Allowed Glycine 0 C--N 1.349 1.254 0 N-CA-C 111.061 -0.816 . . . . 70.45 111.061 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -167.98 137.82 2.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.5 1.12 . . . . 65.25 108.659 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.6 m -147.77 115.51 6.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.889 0.475 . . . . 62.44 110.884 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -95.55 -13.25 24.61 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.887 0.875 . . . . 73.44 110.004 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 p -56.94 158.66 8.66 Favored Pre-proline 0 CA--C 1.561 1.394 0 C-N-CA 125.858 1.663 . . . . 62.3 112.817 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.49 93.72 0.12 Allowed 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.358 2.039 . . . . 44.32 112.451 176.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.4 mm -71.62 111.36 10.08 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.833 0.853 . . . . 74.51 109.347 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -77.49 127.25 8.83 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.18 1.92 . . . . 75.01 111.99 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.9 mt -118.04 86.43 25.94 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 125.25 1.42 . . . . 72.12 108.165 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.99 -26.87 18.01 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 122.976 2.451 . . . . 63.35 114.128 -171.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -86.07 14.99 5.46 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.188 0.595 . . . . 75.31 112.307 -173.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 p -145.55 131.21 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 123.148 0.579 . . . . 61.1 109.565 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.5 p -75.63 166.65 23.24 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.192 0.597 . . . . 72.41 110.392 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.0 p -63.47 -38.83 92.65 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.329 0.652 . . . . 44.22 111.744 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.8 p -64.38 -47.36 79.54 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.705 0.802 . . . . 75.34 111.951 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.408 HG23 HD23 ' A' ' 91' ' ' LEU . 48.9 mm -71.6 -46.0 64.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.069 0.548 . . . . 73.52 109.754 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.2 -36.71 78.26 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.618 0.767 . . . . 74.01 111.136 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -56.06 -50.23 71.57 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 124.08 0.862 . . . . 65.03 109.907 176.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -70.93 -36.98 72.86 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.488 1.117 . . . . 73.53 112.197 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.444 HG13 HD13 ' A' ' 103' ' ' LEU . 79.6 t -64.25 -42.62 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 122.927 0.491 . . . . 72.4 110.017 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 97.5 mt -73.8 -32.31 63.69 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.582 -0.736 . . . . 63.43 111.095 176.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.54 -44.26 82.88 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.682 1.193 . . . . 60.15 111.551 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.452 ' OH ' HG21 ' A' ' 106' ' ' VAL . 84.3 t80 -60.59 -42.41 96.66 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.278 0.631 . . . . 72.24 110.309 174.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.533 ' HB3' HG23 ' A' ' 20' ' ' ILE . 72.4 m -67.78 -28.43 67.59 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 115.243 -0.89 . . . . 75.51 111.87 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 52.4 mtt180 -59.31 -40.1 85.15 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.208 0.603 . . . . 65.4 110.692 171.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -59.71 -36.42 76.5 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.685 0.794 . . . . 74.42 111.196 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -78.88 -19.84 50.94 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.28 0.632 . . . . 63.45 111.96 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -82.43 -46.19 13.81 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.91 0.484 . . . . 73.3 110.829 174.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -76.21 -31.01 58.21 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.713 0.805 . . . . 73.21 110.682 -177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 108.061 -1.089 . . . . 75.53 108.061 175.09 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.5 mm . . . . . 0 CA--C 1.55 0.975 0 N-CA-C 108.782 -0.822 . . . . 45.12 108.782 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -73.7 146.29 38.25 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.38 2.054 . . . . 60.14 111.031 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -48.5 -36.84 32.34 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 123.145 2.563 . . . . 50.24 113.762 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.22 -56.66 18.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.274 1.03 . . . . 64.01 111.24 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.38 -28.41 62.01 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.376 1.071 . . . . 64.04 110.527 -174.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -66.89 -41.84 86.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.094 0.958 . . . . 72.43 110.489 175.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -77.19 -24.49 51.37 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.918 0.487 . . . . 73.24 111.33 177.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.76 -36.28 82.56 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.091 0.556 . . . . 65.44 110.212 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 73.2 m -69.66 -8.88 51.45 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.173 -0.921 . . . . 54.44 112.448 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -70.99 88.51 0.76 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-O 121.41 0.624 . . . . 72.33 109.642 170.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.493 HG11 HD11 ' A' ' 91' ' ' LEU . 3.0 m -139.95 145.35 26.6 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 C-N-CA 125.001 1.32 . . . . 74.24 108.857 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -66.53 158.9 28.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.868 0.867 . . . . 51.03 109.591 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -52.86 -50.69 80.02 Favored Pre-proline 0 CA--C 1.573 1.828 0 CA-C-O 118.419 -0.8 . . . . 75.13 112.887 -169.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.02 -32.29 84.06 Favored 'Trans proline' 0 C--N 1.39 2.734 0 C-N-CA 122.033 1.822 . . . . 73.41 113.377 171.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.4 m -68.16 -28.53 67.37 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.757 0.823 . . . . 65.12 112.028 -175.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.01 -46.45 75.22 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.914 -0.402 . . . . 54.25 109.914 169.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.43 ' HE1' ' HE1' ' B' ' 89' ' ' PHE . 42.5 m-85 -69.34 -31.47 69.94 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.484 0.714 . . . . 73.44 111.544 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -64.77 -36.02 82.97 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.811 0.444 . . . . 70.02 110.81 176.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.493 HD11 HG11 ' A' ' 83' ' ' VAL . 71.4 mt -71.06 -38.82 72.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.215 0.606 . . . . 75.3 110.921 174.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.43 -43.45 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 C-N-CA 123.314 0.645 . . . . 72.55 110.628 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.11 -41.36 90.67 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.858 0.863 . . . . 72.05 110.845 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.58 -32.51 62.41 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.42 0.688 . . . . 52.21 111.749 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.512 ' HB2' HD22 ' A' ' 103' ' ' LEU . . . -73.32 -34.7 65.82 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.991 0.516 . . . . 70.35 110.976 177.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -76.54 -35.8 58.04 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.337 0.655 . . . . 74.22 110.133 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -64.93 -45.7 84.7 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.585 0.754 . . . . 70.5 110.886 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.428 HD12 HG11 ' A' ' 54' ' ' VAL . 85.6 mt -88.3 -8.77 54.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.534 0.733 . . . . 71.14 111.143 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.424 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 36.1 t0 60.46 32.41 20.54 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.122 1.369 . . . . 72.23 111.112 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.468 HG12 ' HA ' ' A' ' 24' ' ' SER . 23.4 mt -80.94 82.15 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 107.837 -1.172 . . . . 72.52 107.837 171.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' A' ' 104' ' ' LEU . 48.1 mtpt -63.54 -34.19 12.19 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 114.409 -1.269 . . . . 71.15 113.727 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -48.17 -52.06 8.97 Favored 'Trans proline' 0 C--N 1.398 3.164 0 C-N-CA 122.19 1.927 . . . . 63.01 113.287 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 95' ' ' ALA . 7.3 tt -68.42 -43.14 77.83 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.939 0.496 . . . . 54.22 110.217 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.457 ' HB3' ' HA ' ' A' ' 101' ' ' LYS . 61.3 tp -54.21 -49.25 69.84 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.059 0.944 . . . . 64.32 111.316 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.47 -39.85 92.45 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 124.072 0.857 . . . . 61.4 111.578 -177.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.452 HG21 ' OH ' ' A' ' 57' ' ' TYR . 77.1 t -66.34 -41.29 88.69 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.239 0.615 . . . . 50.44 111.222 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -71.2 -29.64 65.41 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.917 0.487 . . . . 70.45 110.662 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' B' ' 93' ' ' LEU . 85.8 m -68.45 -32.24 72.12 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.281 0.632 . . . . 74.33 110.541 172.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -69.74 -40.68 76.01 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.93 0.492 . . . . 74.5 110.022 172.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.8 m -60.54 -46.98 88.16 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.648 0.779 . . . . 75.3 111.667 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.7 -33.75 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.681 0.392 . . . . 70.15 111.0 178.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.61 -31.66 70.99 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.302 0.641 . . . . 54.11 111.178 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -67.64 -36.55 80.97 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.4 0.68 . . . . 61.32 110.972 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 49.8 mtm -62.68 -45.13 94.19 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.885 0.474 . . . . 73.41 110.686 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.501 ' HB ' ' HB3' ' B' ' 86' ' ' PRO . 36.4 pt -86.67 -11.55 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 115.713 -0.676 . . . . 54.32 112.122 -175.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -65.98 -40.82 91.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.522 0.729 . . . . 72.44 111.007 -176.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 CA-C-O 119.634 -0.536 . . . . 71.13 111.816 177.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 109.674 -0.491 . . . . 63.24 109.674 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.41 ' HB3' ' HB3' ' B' ' 15' ' ' GLU . 47.5 mt -113.56 120.16 39.99 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.802 0.441 . . . . 74.53 111.025 -172.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.9 m -99.77 147.4 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.393 -0.965 . . . . 73.12 108.393 166.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.563 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 95.9 mttt -94.05 132.97 38.01 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 122.773 0.429 . . . . 73.24 111.208 -171.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -122.59 107.83 12.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.935 0.894 . . . . 75.42 109.504 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.404 ' HG3' HG22 ' B' ' 13' ' ' VAL . 4.3 mt-10 -84.64 119.48 25.28 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.569 -0.53 . . . . 72.4 109.569 175.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.5 p -74.65 -177.42 3.18 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.38 0.672 . . . . 73.32 111.235 175.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.2 t -61.05 -22.83 64.95 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.602 0.761 . . . . 74.23 111.476 174.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -94.38 13.19 24.48 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.924 0.889 . . . . 74.3 111.584 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 65.38 13.7 8.98 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.212 1.005 . . . . 60.24 112.5 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -80.48 122.08 26.55 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.003 0.521 . . . . 72.41 109.711 -178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' B' ' 5' ' ' LYS . 73.4 t -83.26 93.93 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 C-N-CA 123.971 0.908 . . . . 54.33 110.482 -177.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -83.58 92.97 7.76 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 123.267 0.627 . . . . 65.44 109.481 172.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.563 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 43.3 mt-10 -71.32 92.6 1.06 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.594 -0.891 . . . . 74.32 108.594 173.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.44 HD13 ' HB3' ' B' ' 55' ' ' LEU . 10.5 tp -97.56 152.64 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-N 115.445 -0.798 . . . . 64.14 109.762 -176.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -61.07 141.19 57.59 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 122.635 0.374 . . . . 71.0 110.617 174.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.452 ' HE3' HD13 ' B' ' 31' ' ' ILE . 22.8 tptm -61.15 -38.97 88.33 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.466 1.107 . . . . 75.42 111.175 -176.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.9 -40.22 92.24 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.83 0.706 . . . . 75.34 110.705 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.532 HG23 ' HB3' ' B' ' 58' ' ' CYS . 76.2 mt -67.14 -44.2 88.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.168 -0.924 . . . . 74.35 110.369 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.48 66.74 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.322 -0.854 . . . . 74.4 111.666 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 72.3 m -75.8 -34.85 60.19 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.606 0.762 . . . . 74.24 111.154 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 44.4 mtm -63.39 -35.02 79.01 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.386 0.612 . . . . 73.43 110.14 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.476 ' HA ' HG12 ' B' ' 100' ' ' ILE . 33.9 t -71.89 104.67 3.55 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.844 -1.071 . . . . 74.34 108.31 169.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.423 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 61.5 t -64.03 -39.96 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 122.921 0.489 . . . . 55.42 111.631 -171.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -64.04 -46.61 83.67 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.363 0.665 . . . . 75.52 112.132 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.8 -41.76 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 122.759 0.424 . . . . 55.42 109.878 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' B' ' 25' ' ' VAL . 16.0 ttpp -56.13 -44.29 79.02 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.002 0.921 . . . . 75.01 110.695 172.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -65.14 -37.4 87.29 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.473 0.709 . . . . 61.34 111.121 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -46.53 88.87 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.41 0.684 . . . . 65.45 110.302 176.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.452 HD13 ' HE3' ' B' ' 18' ' ' LYS . 96.0 mt -59.65 -49.91 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.751 0.82 . . . . 75.22 110.177 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.77 -37.35 87.32 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.685 0.794 . . . . 63.52 111.968 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.82 -37.78 70.28 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.758 0.823 . . . . 75.34 111.293 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.4 mt -84.05 -5.33 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.441 0 C-N-CA 123.651 0.78 . . . . 73.24 109.948 174.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.55 -58.59 1.11 Allowed Glycine 0 C--N 1.346 1.098 0 N-CA-C 110.917 -0.873 . . . . 73.21 110.917 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -167.59 138.48 2.94 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.288 1.035 . . . . 73.54 108.504 174.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 60.3 m -148.36 113.53 5.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.053 0.541 . . . . 74.3 111.412 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -94.51 -11.91 28.69 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.688 0.795 . . . . 61.2 110.063 167.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.2 p -57.7 158.19 12.56 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 125.046 1.338 . . . . 74.11 112.454 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -60.79 95.12 0.11 Allowed 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.103 1.869 . . . . 73.02 111.984 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.1 mm -72.41 111.43 10.95 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.828 0.851 . . . . 72.0 109.217 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.49 126.14 8.1 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.181 1.92 . . . . 73.41 112.242 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 68.3 mt -117.16 87.33 23.14 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 125.143 1.377 . . . . 75.34 108.246 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.55 -29.64 16.01 Favored 'Trans proline' 0 C--N 1.374 1.89 0 C-N-CA 123.07 2.513 . . . . 55.01 113.904 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -84.03 14.96 3.7 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.217 0.607 . . . . 74.14 112.46 -173.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 p -145.34 131.15 13.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.232 0.613 . . . . 62.01 109.744 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 66.4 p -75.45 166.8 23.04 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.116 0.566 . . . . 72.53 110.293 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 53.1 p -64.34 -37.59 88.04 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.595 0.758 . . . . 72.43 111.707 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 31.4 p -64.35 -48.94 73.64 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.604 0.762 . . . . 74.25 111.383 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.406 ' O ' HG23 ' B' ' 54' ' ' VAL . 49.0 mm -70.34 -46.39 71.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 C-N-CA 122.914 0.486 . . . . 73.52 109.733 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.84 -36.87 77.74 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.585 0.754 . . . . 64.21 111.318 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.33 -49.86 73.15 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.98 0.8 . . . . 75.41 109.861 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -71.01 -37.19 72.63 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.389 1.056 . . . . 72.55 112.101 -175.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.444 HG13 HD13 ' B' ' 103' ' ' LEU . 81.6 t -63.88 -43.16 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.053 0.541 . . . . 62.3 110.048 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' B' ' 59' ' ' ARG . 97.8 mt -73.44 -32.12 64.19 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.603 -0.726 . . . . 72.42 110.991 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.71 -44.58 81.25 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.646 1.178 . . . . 64.23 111.68 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . 0.455 ' OH ' HG21 ' B' ' 106' ' ' VAL . 85.0 t80 -60.37 -41.86 94.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.202 0.601 . . . . 75.02 110.357 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.532 ' HB3' HG23 ' B' ' 20' ' ' ILE . 72.4 m -68.41 -28.46 67.1 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.332 -0.849 . . . . 51.23 111.951 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 56.0 mtt180 -59.24 -39.84 84.03 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.975 0.51 . . . . 72.13 110.5 171.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -59.94 -36.28 76.73 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.66 0.784 . . . . 64.53 111.272 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -78.99 -19.5 51.47 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.463 0.705 . . . . 73.34 111.958 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -82.69 -46.53 13.1 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.034 0.534 . . . . 72.12 110.907 174.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.15 -29.93 57.96 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.848 0.859 . . . . 74.3 110.904 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 107.802 -1.184 . . . . 74.42 107.802 175.306 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 33.7 mm . . . . . 0 CA--C 1.552 1.024 0 N-CA-C 108.976 -0.75 . . . . 73.22 108.976 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -72.88 145.74 41.01 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.412 2.075 . . . . 74.32 111.062 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -48.07 -36.78 29.02 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 123.217 2.611 . . . . 52.33 114.051 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -57.65 -56.3 23.69 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.772 1.229 . . . . 74.34 111.236 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.71 -28.24 61.62 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.42 1.088 . . . . 61.15 110.613 -174.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -67.54 -41.57 84.1 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.208 1.003 . . . . 61.42 110.251 176.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -77.28 -24.44 50.99 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.606 -0.724 . . . . 70.04 111.189 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -63.08 -35.8 81.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.168 0.587 . . . . 51.11 110.111 172.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.3 -7.57 43.58 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 115.277 -0.874 . . . . 73.11 112.597 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -72.43 87.04 1.16 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 121.525 0.679 . . . . 63.25 109.865 170.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.491 HG11 HD11 ' B' ' 91' ' ' LEU . 3.1 m -137.98 145.29 29.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.651 1.18 . . . . 74.13 108.827 174.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -66.03 158.16 29.06 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.674 0.79 . . . . 60.23 109.537 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -52.7 -49.63 85.36 Favored Pre-proline 0 CA--C 1.572 1.805 0 CA-C-O 118.679 -0.677 . . . . 74.44 112.772 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.501 ' HB3' ' HB ' ' A' ' 115' ' ' ILE . 22.0 Cg_endo -62.08 -33.27 83.0 Favored 'Trans proline' 0 C--N 1.388 2.619 0 C-N-CA 122.092 1.862 . . . . 75.14 113.576 171.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 8.5 m -67.78 -28.62 67.76 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.834 0.853 . . . . 63.51 111.998 -175.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mp -54.57 -46.87 73.79 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 109.905 -0.405 . . . . 74.33 109.905 169.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.43 ' HE1' ' HE1' ' A' ' 89' ' ' PHE . 40.9 m-85 -69.35 -31.63 70.18 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.59 -0.732 . . . . 73.24 111.563 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.65 -35.95 82.69 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.724 0.41 . . . . 74.13 110.733 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.491 HD11 HG11 ' B' ' 83' ' ' VAL . 74.7 mt -71.15 -38.28 72.24 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.12 0.568 . . . . 65.54 110.958 174.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.67 -43.63 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 123.303 0.641 . . . . 75.02 110.571 175.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.414 HD23 ' HB3' ' A' ' 108' ' ' CYS . 84.6 mt -65.56 -41.65 92.71 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.874 0.87 . . . . 73.2 110.87 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.86 -32.48 61.91 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.475 0.71 . . . . 60.21 111.698 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.504 ' HB2' HD22 ' B' ' 103' ' ' LEU . . . -73.21 -33.92 65.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.009 0.524 . . . . 61.54 111.158 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -77.43 -35.42 54.11 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.447 0.699 . . . . 74.31 110.074 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -65.14 -46.1 82.28 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.894 0.878 . . . . 74.44 110.624 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.435 HD12 HG11 ' B' ' 54' ' ' VAL . 85.6 mt -88.51 -8.46 54.8 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.581 0.752 . . . . 75.54 111.117 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.411 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 38.5 t0 59.95 33.13 21.42 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.153 1.381 . . . . 72.04 111.198 178.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.476 HG12 ' HA ' ' B' ' 24' ' ' SER . 23.0 mt -81.35 81.96 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.628 0 N-CA-C 107.939 -1.134 . . . . 62.41 107.939 171.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.419 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 49.4 mtpt -63.34 -34.09 12.26 Favored Pre-proline 0 CA--C 1.564 1.495 0 CA-C-N 114.225 -1.352 . . . . 74.31 113.592 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.3 -52.17 8.85 Favored 'Trans proline' 0 C--N 1.399 3.233 0 C-N-CA 122.284 1.989 . . . . 74.13 113.252 166.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.504 HD22 ' HB2' ' B' ' 95' ' ' ALA . 7.2 tt -68.55 -42.63 78.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.784 0.433 . . . . 74.04 110.302 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.419 ' HB3' ' HA ' ' B' ' 101' ' ' LYS . 63.9 tp -54.46 -49.03 71.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.931 0.892 . . . . 75.13 111.302 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.49 -40.06 92.64 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.331 1.02 . . . . 63.4 111.601 -176.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.455 HG21 ' OH ' ' B' ' 57' ' ' TYR . 72.6 t -66.08 -41.63 89.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.321 0.648 . . . . 71.34 111.38 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.6 m -71.14 -29.39 65.17 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.921 0.488 . . . . 52.04 110.596 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 85.8 m -68.84 -32.01 71.4 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.276 0.63 . . . . 73.21 110.481 173.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.95 -40.82 75.22 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.819 0.448 . . . . 74.44 110.073 172.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 40.4 m -60.15 -47.01 87.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.677 0.791 . . . . 65.31 111.602 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.71 -33.74 57.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 122.58 0.352 . . . . 53.33 111.005 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.19 -32.19 72.24 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.308 0.643 . . . . 70.03 111.132 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -68.13 -35.1 77.58 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.602 0.761 . . . . 55.05 111.051 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 49.5 mtm -64.27 -44.52 91.44 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.071 0.548 . . . . 61.23 110.686 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 34.5 pt -86.68 -13.21 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 115.912 -0.586 . . . . 62.22 112.056 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 . . . . . 0 N--CA 1.48 1.031 0 C-N-CA 123.564 0.746 . . . . 73.04 111.482 -176.049 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 mt . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 109.357 -0.608 . . . . 52.52 109.357 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -86.9 107.53 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 N-CA-C 108.913 -0.773 . . . . 74.05 108.913 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.572 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 93.9 mttt -75.77 108.39 8.6 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 114.997 -1.001 . . . . 51.51 109.969 -177.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.6 mt -100.56 92.5 5.15 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.511 0.724 . . . . 75.15 109.978 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.528 ' HG3' HG22 ' A' ' 13' ' ' VAL . 3.0 mp0 -69.12 108.72 3.7 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.848 -0.797 . . . . 75.33 108.848 170.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.7 p -62.11 -179.12 0.2 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.292 0.637 . . . . 74.2 111.298 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t -66.98 -17.1 64.76 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.084 0.553 . . . . 72.31 110.635 174.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 36.3 t70 -96.73 8.16 44.92 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 124.602 1.161 . . . . 55.5 110.35 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 68.53 9.66 7.43 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.843 1.657 . . . . 52.43 113.434 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.511 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 9.8 mmpt? -73.08 122.58 22.03 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.623 -0.51 . . . . 73.34 109.623 177.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.528 HG22 ' HG3' ' A' ' 7' ' ' GLU . 42.1 t -81.37 101.66 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 123.971 0.908 . . . . 75.21 109.785 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -93.35 88.83 6.12 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.657 0.783 . . . . 73.31 109.481 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.53 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 23.5 mt-10 -76.63 76.19 3.31 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.456 -0.793 . . . . 41.13 109.062 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.3 tt -92.49 149.14 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-N 115.407 -0.815 . . . . 60.12 109.342 -175.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.34 135.3 53.05 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.325 0.65 . . . . 52.32 109.975 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.543 ' HE2' HG21 ' A' ' 31' ' ' ILE . 56.6 tttm -63.42 -31.26 72.37 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.716 1.207 . . . . 63.22 111.752 -173.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -60.37 -32.5 71.35 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.589 0.756 . . . . 74.14 111.805 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.9 mt -76.26 -41.34 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 115.38 -0.827 . . . . 75.44 109.356 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.7 -1.07 14.96 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.796 -1.093 . . . . 64.14 112.699 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 62.5 m -74.48 -29.87 61.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.33 0.652 . . . . 60.4 111.353 171.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.6 mtm -68.29 -30.11 69.04 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.824 0.45 . . . . 73.12 110.003 174.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -71.37 102.57 2.65 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.205 -0.907 . . . . 71.2 109.112 166.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.65 -31.51 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 N-CA-C 109.965 -0.383 . . . . 75.14 109.965 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.8 m -64.46 -50.54 67.09 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.622 0.369 . . . . 61.14 111.009 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.451 ' O ' HG13 ' A' ' 31' ' ' ILE . 68.4 mt -65.23 -43.16 95.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 109.087 -0.708 . . . . 62.33 109.087 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 61.4 tttp -55.1 -52.23 63.89 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 124.354 1.034 . . . . 63.35 111.153 176.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -58.18 -36.83 73.63 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.575 0.75 . . . . 63.55 111.107 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 77.6 mtm -70.92 -38.55 72.93 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.807 -0.633 . . . . 74.33 110.987 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.543 HG21 ' HE2' ' A' ' 18' ' ' LYS . 81.5 mt -66.38 -40.07 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 122.865 0.466 . . . . 73.41 109.963 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 64.4 mm-40 -66.36 -42.05 88.59 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.924 0.49 . . . . 74.2 109.974 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.26 -40.53 81.89 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.471 1.108 . . . . 73.34 111.492 -176.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.6 mt -80.2 -18.63 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.871 0.868 . . . . 75.45 109.9 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.85 -63.65 2.15 Favored Glycine 0 C--N 1.343 0.951 0 N-CA-C 110.615 -0.994 . . . . 51.32 110.615 -176.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -136.23 127.84 28.85 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.83 -1.174 . . . . 71.25 107.83 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 p -74.46 76.39 1.93 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.276 0.63 . . . . 73.43 111.251 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.89 -36.62 59.41 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.133 0.973 . . . . 74.24 109.949 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -83.84 135.28 42.94 Favored Pre-proline 0 C--O 1.247 0.963 0 CA-C-N 115.008 -0.997 . . . . 74.3 109.716 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.572 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 31.6 Cg_exo -59.85 143.78 99.55 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.471 2.114 . . . . 54.35 111.088 171.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.2 mm -96.76 103.96 16.58 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 122.911 0.484 . . . . 74.54 110.274 -175.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.404 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 85.1 Cg_endo -82.12 111.25 2.14 Favored 'Trans proline' 0 C--N 1.373 1.816 0 C-N-CA 122.242 1.961 . . . . 75.35 111.783 175.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -89.27 96.8 0.8 Allowed Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 124.306 1.042 . . . . 72.21 109.645 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 39.0 Cg_endo -87.17 25.18 0.68 Allowed 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 123.038 2.492 . . . . 51.42 113.4 -170.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -125.02 -59.27 1.42 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.92 0.888 . . . . 71.1 110.057 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.38 126.73 37.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 116.12 -0.491 . . . . 73.11 110.553 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 p -74.58 166.89 22.8 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.965 0.906 . . . . 72.13 110.869 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.515 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 61.5 p -64.39 -46.36 83.66 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.405 0.682 . . . . 61.34 112.382 -173.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.4 p -60.1 -48.49 81.51 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.611 0.764 . . . . 70.4 111.116 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.465 HG23 HD23 ' A' ' 91' ' ' LEU . 49.4 mm -67.54 -46.95 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.477 -0.783 . . . . 74.32 110.415 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.58 -35.3 80.05 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.339 0.656 . . . . 63.33 110.996 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.3 -51.27 70.65 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.889 0.876 . . . . 75.35 110.361 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -64.69 -49.51 70.63 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 114.809 -1.087 . . . . 72.54 111.283 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.1 -44.89 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 123.357 0.411 . . . . 71.03 110.532 -175.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.568 ' HB3' HD12 ' A' ' 16' ' ' ILE . 71.5 mt -68.66 -30.3 68.96 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.116 0.566 . . . . 63.53 112.012 178.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.62 -42.61 77.83 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.122 0.569 . . . . 61.31 109.621 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -68.57 -36.44 78.76 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.26 -0.882 . . . . 60.24 110.233 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.687 ' SG ' HD13 ' A' ' 100' ' ' ILE . 73.8 m -62.33 -40.38 96.17 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.83 0.452 . . . . 65.54 110.57 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 35.2 ttt180 -66.29 -42.39 88.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.988 -0.551 . . . . 72.14 109.78 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -54.49 -43.15 71.54 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.968 0.907 . . . . 71.14 111.213 174.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -74.44 -26.93 60.36 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.273 -0.876 . . . . 72.31 111.583 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -80.2 -39.25 29.57 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.577 0.227 . . . . 74.23 110.872 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 13.7 mm100 -71.36 -38.18 71.59 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.424 0.69 . . . . 74.12 110.039 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 124.069 0.948 . . . . 73.35 108.539 178.281 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 CA--C 1.551 1.007 0 N-CA-C 109.46 -0.571 . . . . 62.2 109.46 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.0 138.28 47.32 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.562 2.175 . . . . 61.23 111.429 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -49.24 -45.5 29.7 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.84 3.027 . . . . 72.41 113.866 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -58.16 -55.5 34.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 123.3 0.375 . . . . 73.33 110.646 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.83 -30.15 71.27 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.566 1.146 . . . . 75.41 111.113 -174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -72.94 -55.04 7.15 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.465 1.106 . . . . 74.42 110.96 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -72.63 -21.84 61.04 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.028 -0.987 . . . . 75.34 111.261 -174.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.419 ' HE2' HD21 ' A' ' 103' ' ' LEU . 59.3 t80 -57.51 -43.3 84.11 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.848 0.859 . . . . 75.24 110.739 174.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 73.6 m -74.43 -11.57 60.27 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.393 -0.822 . . . . 73.12 112.329 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -78.7 79.05 5.13 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.32 0.648 . . . . 70.2 110.687 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -130.23 173.15 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.195 0.998 . . . . 71.13 109.121 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.15 160.89 20.26 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.784 0.434 . . . . 73.53 110.337 175.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -49.28 92.49 Favored Pre-proline 0 CA--C 1.565 1.537 0 CA-C-O 118.475 -0.774 . . . . 74.42 111.798 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.411 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 27.5 Cg_endo -60.11 -40.83 57.18 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 121.499 1.466 . . . . 54.13 111.92 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.4 m -65.71 -30.63 71.33 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.847 0.859 . . . . 64.14 111.356 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 tt -70.98 -46.35 62.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.115 0.966 . . . . 72.01 108.595 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -62.06 -32.84 73.41 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.766 0.666 . . . . 73.14 110.906 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 40.7 mm-40 -64.25 -38.6 91.63 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.054 0.542 . . . . 74.35 111.438 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.465 HD23 HG23 ' A' ' 50' ' ' ILE . 87.4 mt -67.7 -36.89 81.47 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.931 0.492 . . . . 73.4 110.716 176.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.01 -46.39 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.57 0.748 . . . . 64.43 109.813 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.81 -38.09 82.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.814 0.845 . . . . 55.3 111.159 -176.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.0 -41.17 71.29 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.501 0.72 . . . . 61.31 111.08 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -69.13 -35.09 76.02 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.029 -0.987 . . . . 74.52 111.049 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -74.59 -35.4 62.99 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.494 0.718 . . . . 73.22 109.924 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -65.52 -37.13 85.88 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.368 1.067 . . . . 74.21 111.05 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.5 mt -102.78 -7.48 21.59 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.755 -0.657 . . . . 74.5 112.11 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 64.96 30.98 11.65 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.617 1.167 . . . . 72.13 111.933 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.687 HD13 ' SG ' ' A' ' 58' ' ' CYS . 65.8 mt -74.98 83.87 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 123.61 0.764 . . . . 65.25 108.978 171.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 102' ' ' PRO . 0.7 OUTLIER -64.1 -40.67 55.71 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 117.841 -1.076 . . . . 74.12 112.494 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 4.4 Cg_endo -46.29 -49.28 11.85 Favored 'Trans proline' 0 C--N 1.396 3.047 0 C-N-CA 122.593 2.196 . . . . 74.22 114.131 175.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.469 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.3 tm? -75.93 -44.95 37.71 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.779 0.432 . . . . 75.24 109.991 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.691 HD21 HD21 ' B' ' 104' ' ' LEU . 54.0 tp -53.25 -42.47 66.48 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.364 1.066 . . . . 75.43 112.028 -177.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.72 -51.24 63.43 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.695 0.798 . . . . 54.42 110.069 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.2 t -57.8 -42.36 81.83 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 O-C-N 124.179 0.924 . . . . 70.11 111.085 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.5 m -73.11 -32.65 65.09 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.884 0.874 . . . . 75.43 111.375 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 76.7 m -75.72 -28.97 58.78 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.314 0.646 . . . . 52.24 110.689 175.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -30.36 62.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.163 0.585 . . . . 63.22 110.325 174.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.9 m -60.56 -49.79 76.15 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.102 0.561 . . . . 53.03 110.9 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.5 -32.21 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 122.572 0.349 . . . . 65.21 111.6 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.43 93.76 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.659 0.599 . . . . 73.44 111.137 176.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -65.23 -32.23 73.8 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.493 0.717 . . . . 61.12 111.301 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 44.7 mtm -67.36 -36.14 80.78 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 123.5 0.5 . . . . 62.14 111.286 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.8 pt -94.03 -13.59 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 122.662 0.385 . . . . 72.33 111.522 177.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -80.71 91.67 5.91 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 107.899 -1.148 . . . . 70.24 107.899 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.248 0 CA-C-O 118.942 -0.921 . . . . 64.03 111.386 -179.785 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.236 0.065 . . . . 35.24 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 49.4 mt -110.38 116.55 31.64 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.445 -0.576 . . . . 62.53 109.445 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.8 m -88.1 107.61 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 CA-C-O 121.744 0.783 . . . . 72.34 108.919 173.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 93.7 mttt -75.94 108.51 8.87 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.882 -1.054 . . . . 73.43 109.912 -177.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 mt -100.43 92.88 5.36 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 123.582 0.753 . . . . 63.34 109.948 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.503 ' HG3' HG22 ' B' ' 13' ' ' VAL . 2.9 mp0 -69.52 109.29 4.18 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 108.711 -0.848 . . . . 63.05 108.711 170.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.9 p -62.3 -178.17 0.17 Allowed 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 121.396 0.617 . . . . 53.41 111.354 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.0 t -66.64 -18.12 65.2 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.065 0.546 . . . . 70.4 110.467 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.53 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 35.4 t70 -96.14 8.17 44.5 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 124.513 1.125 . . . . 72.04 110.487 175.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 67.81 9.68 7.27 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.743 1.617 . . . . 73.44 113.669 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 10.4 mmpt? -73.25 122.13 21.45 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.434 -0.58 . . . . 70.01 109.434 178.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.503 HG22 ' HG3' ' B' ' 7' ' ' GLU . 42.7 t -81.0 100.35 5.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 124.197 0.999 . . . . 61.43 109.929 -174.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -92.57 88.35 6.29 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.454 0.702 . . . . 72.1 109.548 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.556 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 27.6 mt-10 -75.46 76.07 2.51 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.693 0.797 . . . . 73.12 109.232 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.569 HD12 ' HB3' ' B' ' 55' ' ' LEU . 12.4 tt -92.44 149.22 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 115.774 -0.648 . . . . 74.31 109.431 -175.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -66.73 135.48 54.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.229 0.612 . . . . 61.52 110.014 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.536 ' HE2' HG21 ' B' ' 31' ' ' ILE . 56.1 tttm -63.54 -30.68 71.76 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.434 1.094 . . . . 73.25 111.795 -173.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.15 -32.16 71.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.456 0.702 . . . . 52.33 111.987 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 40.1 mt -76.32 -41.36 36.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 123.8 0.84 . . . . 75.04 109.43 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.49 -1.15 14.77 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.789 -1.096 . . . . 73.15 112.788 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 67.3 m -74.39 -29.82 61.69 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.425 0.69 . . . . 65.32 111.408 171.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 61.2 mtm -68.29 -30.18 69.13 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 122.975 0.51 . . . . 75.33 110.045 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -71.61 102.75 2.83 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.177 -0.92 . . . . 54.11 108.982 166.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.9 -31.9 55.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 109.919 -0.4 . . . . 75.03 109.919 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 97.9 m -64.24 -50.05 69.52 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.578 0.351 . . . . 61.24 111.003 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.441 ' O ' HG13 ' B' ' 31' ' ' ILE . 68.5 mt -65.41 -43.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 109.263 -0.643 . . . . 73.42 109.263 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' B' ' 32' ' ' GLU . 61.2 tttp -55.11 -51.97 64.72 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 124.444 1.09 . . . . 74.44 111.103 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.43 -36.6 73.88 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.613 0.765 . . . . 74.24 111.065 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 76.1 mtm -71.11 -38.82 72.32 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.764 0.665 . . . . 72.24 110.725 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.536 HG21 ' HE2' ' B' ' 18' ' ' LYS . 80.7 mt -65.97 -39.58 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 122.767 0.427 . . . . 75.25 110.058 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 28' ' ' LYS . 60.7 mm-40 -66.59 -41.53 88.34 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.011 0.524 . . . . 75.01 110.249 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -68.99 -42.09 76.96 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.178 -0.919 . . . . 73.12 110.973 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.63 -19.3 14.0 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 123.871 0.868 . . . . 61.22 110.111 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.93 -63.99 2.09 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 110.384 -1.086 . . . . 45.03 110.384 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -136.44 129.37 31.04 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 107.833 -1.173 . . . . 64.11 107.833 172.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.9 p -75.01 79.29 2.2 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.271 0.629 . . . . 72.33 110.631 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.64 -37.93 48.99 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.83 0.852 . . . . 71.53 109.658 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 62.3 p -81.67 134.28 50.99 Favored Pre-proline 0 C--O 1.245 0.856 0 CA-C-N 115.211 -0.904 . . . . 70.42 109.804 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.59 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 33.1 Cg_exo -59.35 144.63 99.34 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.376 2.051 . . . . 70.34 110.727 171.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -97.28 105.5 25.5 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 122.582 0.353 . . . . 72.05 110.089 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.9 113.0 2.13 Favored 'Trans proline' 0 C--N 1.371 1.734 0 C-N-CA 122.125 1.883 . . . . 73.02 111.412 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.2 mt -90.8 96.3 0.94 Allowed Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 124.318 1.047 . . . . 70.5 109.613 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -88.37 29.77 0.45 Allowed 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 123.253 2.635 . . . . 52.03 112.889 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -128.19 -59.91 1.15 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.855 0.862 . . . . 63.45 109.573 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.47 127.15 37.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.935 -0.575 . . . . 74.5 110.563 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p -74.98 166.71 23.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.053 0.941 . . . . 71.54 110.696 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.53 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 50.9 p -63.54 -47.55 81.16 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.569 0.748 . . . . 63.22 112.515 -173.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 38.8 p -59.56 -49.64 77.0 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.985 0.914 . . . . 73.23 111.139 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.454 HG23 HD23 ' B' ' 91' ' ' LEU . 49.0 mm -65.97 -47.06 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 115.656 -0.702 . . . . 70.22 110.33 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.84 -35.17 79.74 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.312 0.645 . . . . 61.23 111.114 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.75 -51.23 70.66 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.852 0.861 . . . . 70.32 110.375 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.13 -49.7 71.13 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.92 -1.036 . . . . 74.54 111.314 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.09 -45.38 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 O-C-N 123.394 0.434 . . . . 73.24 110.455 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.569 ' HB3' HD12 ' B' ' 16' ' ' ILE . 70.4 mt -67.93 -30.89 70.32 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.144 0.578 . . . . 65.21 112.148 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.79 -42.18 77.74 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 109.624 -0.51 . . . . 73.3 109.624 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -68.31 -36.51 79.42 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.345 -0.843 . . . . 54.22 110.161 176.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.698 ' SG ' HD13 ' B' ' 100' ' ' ILE . 73.4 m -62.41 -40.71 97.41 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.861 0.464 . . . . 54.44 110.513 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 36.2 ttt180 -66.04 -42.27 89.8 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.145 -0.48 . . . . 73.14 109.857 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -54.67 -43.12 72.15 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.034 0.934 . . . . 71.13 111.306 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -74.22 -27.43 60.78 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.175 -0.92 . . . . 70.41 111.515 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -78.99 -39.59 33.77 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.54 0.209 . . . . 75.2 110.633 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 12.8 mm100 -71.34 -38.42 71.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.651 0.78 . . . . 72.34 110.198 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 . . . . . 0 CA--C 1.546 0.79 0 C-N-CA 123.918 0.887 . . . . 75.3 108.645 178.096 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 59.4 mt . . . . . 0 CA--C 1.555 1.16 0 N-CA-C 109.74 -0.467 . . . . 61.05 109.74 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.88 138.18 47.53 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.564 2.176 . . . . 72.33 111.455 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -49.15 -44.47 33.19 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 124.109 3.206 . . . . 62.54 113.9 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -59.28 -55.55 33.36 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 123.265 0.353 . . . . 74.04 111.024 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.6 -29.93 70.97 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.479 1.112 . . . . 35.14 111.063 -175.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -73.42 -55.01 6.92 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.493 1.117 . . . . 73.42 110.886 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -72.64 -21.56 61.08 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.101 -0.954 . . . . 72.24 111.243 -174.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.406 ' HE2' HD21 ' B' ' 103' ' ' LEU . 58.0 t80 -57.27 -43.69 83.28 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.948 0.899 . . . . 74.11 110.604 173.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 70.5 m -75.01 -11.07 60.02 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.842 0.857 . . . . 74.54 112.275 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -78.73 79.94 5.12 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.187 0.595 . . . . 72.45 110.491 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 20.8 m -132.23 170.28 20.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 C-N-CA 124.409 1.083 . . . . 63.21 108.998 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.68 160.32 14.4 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.006 0.522 . . . . 71.13 110.404 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -49.48 91.05 Favored Pre-proline 0 CA--C 1.562 1.416 0 CA-C-O 118.476 -0.773 . . . . 74.43 111.822 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 27.4 Cg_endo -60.09 -40.36 61.51 Favored 'Trans proline' 0 C--N 1.392 2.838 0 CA-C-N 120.953 1.376 . . . . 73.04 111.941 173.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 10.2 m -65.69 -30.62 71.34 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.693 0.797 . . . . 74.41 111.295 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tt -71.24 -46.41 61.13 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.273 1.029 . . . . 62.3 108.509 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -61.94 -33.06 73.58 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.819 0.699 . . . . 73.11 110.83 175.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 29.6 mm-40 -64.05 -38.66 91.87 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.956 0.502 . . . . 73.45 111.427 175.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.454 HD23 HG23 ' B' ' 50' ' ' ILE . 87.3 mt -67.54 -36.82 81.73 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.037 0.535 . . . . 72.52 110.776 176.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.16 -46.21 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.538 0.735 . . . . 63.11 109.778 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.91 -38.12 82.55 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.849 0.86 . . . . 62.22 111.074 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.08 -41.44 70.68 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.577 0.751 . . . . 62.33 111.057 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.485 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -68.74 -35.24 76.85 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.074 -0.966 . . . . 62.14 110.975 177.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . 0.413 ' ND2' ' HG ' ' A' ' 104' ' ' LEU . 41.6 t-20 -74.22 -35.69 63.89 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.475 0.71 . . . . 55.2 110.001 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -65.95 -35.57 80.96 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.233 1.013 . . . . 73.54 111.067 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 84.9 mt -103.87 -7.3 20.58 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.094 0.558 . . . . 72.54 112.448 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 64.92 30.83 11.81 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.585 1.154 . . . . 70.4 111.699 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.698 HD13 ' SG ' ' B' ' 58' ' ' CYS . 65.8 mt -74.93 83.81 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 109.006 -0.739 . . . . 74.4 109.006 171.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.484 ' N ' ' HD2' ' B' ' 102' ' ' PRO . 0.7 OUTLIER -64.21 -40.4 52.3 Favored Pre-proline 0 CA--C 1.559 1.321 0 CA-C-O 117.747 -1.12 . . . . 65.44 112.577 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' B' ' 101' ' ' LYS . 4.2 Cg_endo -46.14 -49.51 11.31 Favored 'Trans proline' 0 C--N 1.395 3.026 0 C-N-CA 122.472 2.114 . . . . 73.23 114.215 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.485 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.3 tm? -75.87 -44.97 38.08 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.743 0.417 . . . . 73.23 109.974 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.691 HD21 HD21 ' A' ' 104' ' ' LEU . 54.2 tp -53.29 -42.67 66.82 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.384 1.074 . . . . 75.55 112.041 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.6 -51.12 64.37 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.899 0.749 . . . . 70.01 110.05 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.6 -42.7 81.86 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 O-C-N 124.079 0.862 . . . . 54.12 111.031 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.2 m -72.95 -32.64 65.38 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.056 0.942 . . . . 62.51 111.318 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 78.4 m -75.85 -28.71 58.32 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.319 0.648 . . . . 65.33 110.741 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.51 -30.27 61.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.178 0.591 . . . . 64.13 110.306 174.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 55.3 m -60.43 -50.02 75.26 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.193 0.597 . . . . 71.24 110.749 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.68 -32.02 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 122.602 0.361 . . . . 72.21 111.437 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.8 -39.58 94.69 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.071 0.548 . . . . 53.14 111.048 176.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.62 -33.11 75.16 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.663 0.785 . . . . 75.31 111.252 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 53.8 mtm -66.59 -36.03 81.64 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.836 0.455 . . . . 71.53 111.679 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 39.1 pt -94.28 -13.1 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.738 0.415 . . . . 64.52 111.267 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 107.807 -1.183 . . . . 64.43 107.807 175.512 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.7 mt . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.079 -0.341 . . . . 74.14 110.079 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.2 m -93.03 137.46 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 N-CA-C 108.948 -0.76 . . . . 64.41 108.948 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 92.9 mttt -94.32 121.52 35.93 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.538 -0.912 . . . . 75.44 108.538 -177.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.668 HD13 HD13 ' A' ' 27' ' ' ILE . 80.1 mt -120.21 100.67 7.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.978 0.511 . . . . 72.01 109.859 -176.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 2.7 mp0 -75.05 144.46 42.99 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.097 0.475 . . . . 74.33 109.962 173.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 p -82.83 -176.68 6.42 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.422 -0.808 . . . . 71.11 110.215 171.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -63.69 -27.4 69.19 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.535 0.734 . . . . 61.24 110.236 169.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -83.78 1.78 41.21 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.392 1.077 . . . . 64.25 111.367 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 70.92 13.5 7.02 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.231 1.412 . . . . 75.15 113.253 171.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 7' ' ' GLU . 45.1 mmtm -77.53 126.07 30.33 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.65 -0.5 . . . . 73.51 109.65 176.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.2 t -72.44 122.63 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.818 0.847 . . . . 71.12 109.611 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.486 ' CD1' HD12 ' A' ' 51' ' ' LEU . 95.6 m-85 -117.09 91.6 3.62 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.624 0.77 . . . . 74.41 108.944 174.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.576 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 43.5 mt-10 -72.19 103.53 3.37 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.214 -0.903 . . . . 71.44 109.651 176.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 55' ' ' LEU . 14.5 tt -119.37 147.68 22.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 124.497 1.119 . . . . 75.31 108.079 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HB3' HG13 ' A' ' 20' ' ' ILE . 32.6 tt0 -66.04 136.95 56.71 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.381 -0.599 . . . . 73.12 109.381 178.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HG3' HD13 ' A' ' 31' ' ' ILE . 38.2 ttpt -59.27 -34.13 71.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.706 0.802 . . . . 64.42 111.474 -174.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -59.95 -37.67 80.23 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.112 0.965 . . . . 64.13 111.614 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.506 HG13 ' HB3' ' A' ' 17' ' ' GLU . 10.2 mt -79.76 -29.97 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 C-N-CA 123.123 0.569 . . . . 74.12 109.998 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.21 -18.59 60.74 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.528 0.731 . . . . 71.11 111.596 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 94.5 m -73.14 -22.45 60.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.506 0.722 . . . . 63.12 111.604 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 85.6 mtp -63.04 -32.3 73.64 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.58 0.705 . . . . 73.45 110.433 173.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.545 ' HA ' HG12 ' A' ' 100' ' ' ILE . 35.9 t -81.92 111.26 17.94 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.623 -1.172 . . . . 53.11 108.204 170.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 46.5 t -64.91 -39.25 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 123.126 0.266 . . . . 73.34 110.764 -176.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 30' ' ' MET . 98.4 m -60.65 -51.56 68.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.183 0.593 . . . . 75.13 111.757 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.668 HD13 HD13 ' A' ' 6' ' ' LEU . 82.2 mt -69.43 -35.21 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.153 0.581 . . . . 73.43 110.405 -177.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -58.38 -46.89 85.46 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.102 0.961 . . . . 71.11 110.067 173.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -63.87 -35.65 81.34 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.87 0.868 . . . . 74.41 111.187 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 26' ' ' THR . 25.3 mmt -63.57 -47.0 83.31 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.007 0.523 . . . . 65.54 110.697 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.473 HD13 ' HG3' ' A' ' 18' ' ' LYS . 77.5 mt -66.04 -43.68 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.797 0.839 . . . . 72.22 110.54 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.58 -29.25 64.5 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.256 0.622 . . . . 54.12 111.901 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.6 -43.38 72.91 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.561 0.744 . . . . 72.25 110.614 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.4 mt -75.45 -21.38 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-N 114.96 -1.018 . . . . 74.1 109.734 173.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.73 -74.76 2.47 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 110.053 -1.219 . . . . 63.03 110.053 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.21 93.86 4.48 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.182 -1.044 . . . . 70.43 108.182 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -78.27 82.98 4.54 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.345 0.593 . . . . 45.32 110.155 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.41 -32.44 64.43 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.149 -0.932 . . . . 64.54 109.35 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -73.99 138.05 76.11 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 115.157 -0.929 . . . . 72.31 109.046 176.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.58 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.1 Cg_endo -68.88 143.55 55.61 Favored 'Trans proline' 0 C--N 1.361 1.204 0 C-N-CA 121.94 1.76 . . . . 71.53 110.957 175.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.6 mm -96.95 105.62 25.09 Favored Pre-proline 0 CA--C 1.547 0.849 0 N-CA-C 109.35 -0.611 . . . . 74.22 109.35 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -81.33 145.68 15.17 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.029 1.82 . . . . 63.13 111.329 173.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HB3' ' HE1' ' A' ' 97' ' ' TYR . 3.0 mm? -117.37 87.82 26.08 Favored Pre-proline 0 CA--C 1.552 1.05 0 N-CA-C 108.29 -1.004 . . . . 74.24 108.29 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -80.11 63.8 8.79 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.339 2.693 . . . . 71.25 112.553 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -159.23 -58.55 0.07 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.331 1.052 . . . . 73.12 109.137 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.425 HG11 HD23 ' A' ' 51' ' ' LEU . 7.2 p -84.32 130.14 36.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 C-N-CA 123.324 0.65 . . . . 73.32 110.696 -177.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 p -72.92 168.45 18.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.864 0.866 . . . . 65.15 111.167 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 p -62.18 -47.58 83.85 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 112.965 0.728 . . . . 74.1 112.965 -173.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 35.5 p -65.25 -42.66 93.06 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.524 0.73 . . . . 71.41 111.363 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.478 HG23 HD23 ' A' ' 91' ' ' LEU . 51.2 mm -72.18 -42.76 66.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 123.157 0.583 . . . . 72.42 110.527 -177.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.486 HD12 ' CD1' ' A' ' 14' ' ' PHE . 3.2 tm? -63.19 -37.53 87.59 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.972 0.909 . . . . 61.41 109.867 177.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.49 -51.17 71.02 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 123.951 0.782 . . . . 72.45 109.737 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.476 ' HE2' HG11 ' A' ' 83' ' ' VAL . 26.8 mtpp -59.09 -52.53 65.35 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.223 0.952 . . . . 73.01 111.507 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.471 HG12 HD12 ' A' ' 100' ' ' ILE . 97.4 t -60.94 -42.12 91.61 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 C-N-CA 123.152 0.581 . . . . 71.41 111.137 -174.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.456 ' HB3' HD12 ' A' ' 16' ' ' ILE . 43.9 mt -75.17 -28.51 60.09 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 112.52 0.563 . . . . 74.02 112.52 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.95 -32.89 65.55 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.173 0.589 . . . . 74.41 110.735 -178.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.92 -41.85 99.6 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.444 0.698 . . . . 75.44 109.758 170.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 75.7 m -64.02 -35.8 81.91 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.169 -0.923 . . . . 71.32 111.255 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.65 -44.57 95.93 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.36 0.664 . . . . 55.33 110.434 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -60.14 -47.69 84.87 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.125 -0.943 . . . . 64.15 111.195 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -77.2 -18.01 58.07 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 116.071 -0.513 . . . . 74.22 111.134 -175.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -69.08 -48.44 62.67 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.874 0.87 . . . . 71.35 110.863 173.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -90.89 -18.85 24.09 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.061 -0.972 . . . . 72.35 110.905 -172.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 . . . . . 0 C--O 1.242 0.705 0 N-CA-C 107.809 -1.182 . . . . 73.15 107.809 175.107 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.0 mt . . . . . 0 CA--C 1.55 0.95 0 N-CA-C 109.178 -0.675 . . . . 73.41 109.178 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.39 151.8 82.37 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.519 2.146 . . . . 75.22 111.706 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -45.42 -38.61 15.93 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 124.323 3.349 . . . . 64.0 115.422 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.9 -57.6 12.17 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 117.694 0.224 . . . . 64.24 110.879 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -66.64 -27.92 68.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.84 0.856 . . . . 64.32 111.026 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.52 -55.97 8.68 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.225 0.61 . . . . 72.43 110.289 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.49 -24.31 64.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.717 0.807 . . . . 73.33 111.536 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.458 ' HE1' HD21 ' A' ' 103' ' ' LEU . 54.5 t80 -61.64 -51.93 66.44 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.691 0.796 . . . . 54.42 110.151 175.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 80.8 m -82.69 -26.8 31.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.224 -0.898 . . . . 65.14 111.177 -175.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -80.39 84.63 5.99 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.078 -0.712 . . . . 75.41 109.078 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.476 HG11 ' HE2' ' A' ' 53' ' ' LYS . 16.1 m -124.12 -178.8 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.315 1.046 . . . . 75.21 109.482 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -65.13 154.28 38.42 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.274 0.63 . . . . 73.54 110.21 -176.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.555 ' HA ' HD12 ' A' ' 88' ' ' LEU . 54.2 tp60 -55.06 -50.11 88.34 Favored Pre-proline 0 CA--C 1.566 1.575 0 N-CA-C 113.438 0.903 . . . . 74.33 113.438 -171.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.478 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 34.4 Cg_exo -63.02 -37.04 55.74 Favored 'Trans proline' 0 C--N 1.387 2.561 0 C-N-CA 122.162 1.908 . . . . 73.13 113.0 172.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.0 m -63.26 -31.51 72.67 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.808 0.843 . . . . 61.5 111.202 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 85' ' ' GLN . 61.9 mt -60.54 -48.82 80.07 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.012 0.925 . . . . 70.43 110.767 173.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.439 ' CD2' HD13 ' B' ' 115' ' ' ILE . 56.6 m-85 -67.1 -30.97 71.14 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.682 -0.69 . . . . 75.21 111.293 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -64.6 -38.35 90.69 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.833 0.453 . . . . 74.14 111.34 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.478 HD23 HG23 ' A' ' 50' ' ' ILE . 97.4 mt -70.26 -34.45 72.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.063 0.545 . . . . 72.33 110.905 176.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 80.6 mt -66.7 -45.36 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.303 0.641 . . . . 73.12 110.178 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.75 -41.37 95.96 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.891 0.876 . . . . 71.52 110.793 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.2 74.76 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.481 0.713 . . . . 55.35 111.489 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.507 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.53 -29.06 63.25 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.912 0.485 . . . . 74.05 111.524 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -70.38 -44.35 68.21 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.935 0.894 . . . . 35.24 109.539 173.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.45 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 73.9 t80 -70.18 -36.73 74.87 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.578 1.151 . . . . 73.11 111.96 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 27' ' ' ILE . 96.5 mt -92.0 -7.67 48.22 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.618 0.767 . . . . 61.14 110.8 179.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.517 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER 66.4 22.61 10.73 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.538 1.135 . . . . 73.2 111.037 175.153 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.545 HG12 ' HA ' ' A' ' 24' ' ' SER . 33.6 mt -83.65 85.29 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 108.543 -0.91 . . . . 75.23 108.543 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -64.06 -37.96 31.33 Favored Pre-proline 0 CA--C 1.557 1.245 0 CA-C-N 114.238 -1.346 . . . . 73.23 112.804 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.446 ' O ' HG23 ' A' ' 106' ' ' VAL . 71.2 Cg_exo -47.85 -48.01 17.23 Favored 'Trans proline' 0 C--N 1.399 3.205 0 C-N-CA 122.362 2.042 . . . . 70.43 113.88 169.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.7 tm? -76.51 -41.21 47.74 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.175 0.59 . . . . 62.11 110.068 -178.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.542 HD21 HD21 ' B' ' 104' ' ' LEU . 64.0 tp -56.64 -43.93 80.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.354 1.062 . . . . 71.32 111.047 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.0 -48.48 78.63 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.135 0.897 . . . . 72.3 110.356 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 102' ' ' PRO . 87.0 t -60.2 -45.22 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.257 0.623 . . . . 74.31 111.216 -178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.1 m -68.64 -37.92 80.09 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.118 0.567 . . . . 53.32 111.386 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 82.8 m -67.79 -31.23 70.97 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.237 0.615 . . . . 71.13 110.919 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.33 -36.65 61.01 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.077 0.551 . . . . 75.33 110.481 175.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.5 m -64.6 -46.96 80.42 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.077 0.551 . . . . 45.33 110.957 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.28 -33.09 60.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.932 -0.576 . . . . 62.33 110.863 178.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.41 -31.3 67.09 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 123.199 0.6 . . . . 63.23 110.966 175.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.88 -36.91 83.38 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.036 0.534 . . . . 70.15 111.219 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 38.4 mtm -62.16 -34.33 76.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.576 0.75 . . . . 74.42 111.793 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 24.5 pt -94.75 -35.19 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 116.089 -0.505 . . . . 73.33 111.061 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 173.11 88.89 0.0 OUTLIER 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.699 1.599 . . . . 73.1 109.008 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 CA-C-O 119.431 -0.65 . . . . 63.14 112.868 169.107 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.294 -0.261 . . . . 31.42 110.294 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 75.4 mt -112.25 118.76 36.19 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.21 0.604 . . . . 73.2 110.105 -178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.1 m -93.08 137.83 21.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 109.066 -0.716 . . . . 74.53 109.066 171.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.595 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 92.2 mttt -95.09 121.85 37.16 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.658 -0.868 . . . . 61.24 108.658 -176.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.678 HD13 HD13 ' B' ' 27' ' ' ILE . 79.0 mt -120.62 100.75 7.31 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.008 0.523 . . . . 74.3 109.702 -175.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' B' ' 12' ' ' LYS . 1.7 mp0 -75.51 144.58 41.92 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.02 0.438 . . . . 71.42 109.849 173.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.9 p -83.11 -176.53 6.38 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.415 -0.811 . . . . 62.05 110.15 172.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.9 t -63.28 -28.2 69.86 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.567 0.747 . . . . 71.22 110.143 169.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.98 3.74 32.92 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.578 1.151 . . . . 73.14 111.198 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 68.65 14.29 9.0 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 125.13 1.372 . . . . 74.31 113.415 170.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' B' ' 7' ' ' GLU . 45.7 mmtm -77.97 126.9 31.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.785 0.434 . . . . 71.13 109.91 175.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.2 t -74.27 120.2 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.782 0.833 . . . . 74.45 110.003 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.48 ' CD1' HD12 ' B' ' 51' ' ' LEU . 96.6 m-85 -114.7 90.96 3.47 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.739 0.816 . . . . 75.33 109.067 174.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.575 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 41.3 mt-10 -71.61 104.7 3.4 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.169 -0.923 . . . . 70.11 109.279 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.447 HD12 ' HB3' ' B' ' 55' ' ' LEU . 14.9 tt -120.03 147.61 23.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 124.781 1.232 . . . . 60.41 108.345 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.499 ' HB3' HG13 ' B' ' 20' ' ' ILE . 31.9 tt0 -66.01 136.97 56.76 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 109.361 -0.607 . . . . 75.43 109.361 177.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.478 ' HG3' HD13 ' B' ' 31' ' ' ILE . 38.1 ttpt -59.45 -34.02 72.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.774 0.829 . . . . 73.14 111.59 -175.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -60.07 -36.81 78.18 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.238 1.015 . . . . 34.32 111.566 175.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.499 HG13 ' HB3' ' B' ' 17' ' ' GLU . 9.5 mt -80.94 -30.15 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.104 0.562 . . . . 65.03 110.055 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.67 -19.37 60.85 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.585 0.754 . . . . 72.32 111.414 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 93.0 m -73.01 -22.5 60.65 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.587 0.755 . . . . 74.53 111.519 173.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 83.1 mtp -62.89 -32.62 73.92 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 121.623 0.725 . . . . 71.32 110.284 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.568 ' HA ' HG12 ' B' ' 100' ' ' ILE . 37.5 t -81.55 112.24 18.59 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.027 -0.988 . . . . 75.02 108.413 171.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 41.9 t -64.85 -39.52 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.05 0.386 . . . . 62.22 110.765 -176.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' B' ' 30' ' ' MET . 97.2 m -60.96 -51.94 67.13 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.298 0.639 . . . . 74.54 111.44 178.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.678 HD13 HD13 ' B' ' 6' ' ' LEU . 82.4 mt -68.94 -35.47 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.25 0.62 . . . . 73.11 110.44 -177.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -58.34 -47.21 84.49 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.181 0.992 . . . . 75.21 110.192 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.39 -35.4 80.27 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.914 0.886 . . . . 73.3 111.183 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' B' ' 26' ' ' THR . 24.8 mmt -63.67 -47.61 80.56 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.828 0.451 . . . . 40.24 110.486 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.478 HD13 ' HG3' ' B' ' 18' ' ' LYS . 78.0 mt -65.83 -43.15 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 115.367 -0.833 . . . . 75.32 110.701 -177.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -71.79 -30.35 65.45 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.603 0.761 . . . . 74.05 111.878 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.45 -44.85 73.98 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.332 0.653 . . . . 60.43 110.623 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 64.2 mt -73.72 -21.87 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 CA-C-N 115.021 -0.991 . . . . 75.54 109.828 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.89 -73.96 2.56 Favored Glycine 0 C--N 1.347 1.157 0 N-CA-C 109.912 -1.275 . . . . 64.34 109.912 -175.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.75 96.67 5.72 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.9 -1.148 . . . . 75.53 107.9 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.413 ' HB2' ' HA ' ' B' ' 31' ' ' ILE . 26.3 t -79.79 82.04 5.95 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.009 0.433 . . . . 55.54 110.05 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.83 -32.42 65.49 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.513 -0.767 . . . . 71.53 109.143 173.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.4 m -74.22 138.81 75.34 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 114.92 -1.036 . . . . 61.33 109.091 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.595 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 59.2 Cg_endo -69.57 143.6 52.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 C-N-CA 122.031 1.821 . . . . 65.42 111.258 174.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -97.19 105.17 22.89 Favored Pre-proline 0 CA--C 1.547 0.846 0 N-CA-C 109.479 -0.563 . . . . 71.43 109.479 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -80.82 145.86 16.18 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.184 1.922 . . . . 60.21 111.17 173.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.465 ' HB3' ' HE1' ' B' ' 97' ' ' TYR . 3.0 mm? -117.54 87.91 27.31 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 124.284 1.034 . . . . 63.05 108.318 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -80.45 63.99 8.83 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 123.337 2.691 . . . . 74.32 112.384 -175.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -158.37 -60.07 0.08 Allowed 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 114.868 -1.06 . . . . 72.3 108.862 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.44 HG11 HD23 ' B' ' 51' ' ' LEU . 6.9 p -83.28 130.43 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 CA-C-N 115.515 -0.766 . . . . 74.32 110.704 -176.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 76.0 p -73.3 168.5 19.05 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.781 0.832 . . . . 73.42 111.188 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.8 p -62.72 -46.58 87.44 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.907 0.706 . . . . 75.55 112.907 -172.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 39.4 p -65.41 -43.28 91.09 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.668 0.787 . . . . 64.55 111.525 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.481 HG23 HD23 ' B' ' 91' ' ' LEU . 51.1 mm -71.51 -42.85 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 115.908 -0.587 . . . . 71.32 110.572 -177.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.48 HD12 ' CD1' ' B' ' 14' ' ' PHE . 3.2 tm? -63.23 -37.56 87.71 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.921 0.888 . . . . 64.44 109.771 177.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.92 -51.79 68.53 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.927 0.767 . . . . 44.21 109.967 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.458 ' HE2' HG11 ' B' ' 83' ' ' VAL . 26.9 mtpp -58.83 -52.49 65.49 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.605 1.191 . . . . 74.02 111.595 -177.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.474 HG12 HD12 ' B' ' 100' ' ' ILE . 97.5 t -61.04 -41.88 90.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 123.079 0.552 . . . . 73.45 110.971 -174.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.447 ' HB3' HD12 ' B' ' 16' ' ' ILE . 43.2 mt -75.14 -28.71 60.28 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.387 0.514 . . . . 64.15 112.387 176.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.02 -33.44 65.75 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.179 0.592 . . . . 50.41 110.518 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -62.41 -41.77 98.94 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.166 0.587 . . . . 63.54 109.836 171.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.07 -35.98 82.52 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.218 -0.901 . . . . 75.23 111.215 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.05 -45.5 93.28 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.485 0.714 . . . . 64.31 110.376 174.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -59.24 -48.07 83.0 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.063 -0.972 . . . . 75.44 111.041 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -77.21 -18.62 57.58 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 123.547 0.53 . . . . 74.1 111.295 -174.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -68.3 -48.62 64.46 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.851 0.86 . . . . 72.1 110.559 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.11 -18.97 24.87 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.194 -0.912 . . . . 75.11 110.979 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 . . . . . 0 C--O 1.242 0.678 0 C-N-CA 124.838 1.255 . . . . 75.1 107.864 176.272 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 60.4 mt . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 108.978 -0.749 . . . . 52.52 108.978 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.8 151.55 84.01 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 122.596 2.198 . . . . 72.23 112.001 177.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -45.24 -38.5 14.83 Favored 'Trans proline' 0 C--N 1.385 2.481 0 C-N-CA 124.431 3.421 . . . . 63.31 115.555 -177.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.94 -57.82 11.23 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 117.701 0.228 . . . . 75.42 110.785 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.2 -28.18 68.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.8 0.84 . . . . 72.23 111.021 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.28 -56.28 8.01 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.837 -0.62 . . . . 75.32 110.152 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.07 -23.94 64.1 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.757 0.823 . . . . 62.3 111.626 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.468 ' HE1' HD21 ' B' ' 103' ' ' LEU . 54.3 t80 -61.3 -51.91 66.89 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.821 0.848 . . . . 74.41 110.123 174.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 80.8 m -83.05 -26.74 30.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.08 -0.964 . . . . 70.14 111.102 -175.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -80.38 84.49 6.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.554 0.692 . . . . 65.21 109.207 175.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.458 HG11 ' HE2' ' B' ' 53' ' ' LYS . 16.7 m -123.44 -178.48 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 114.657 -1.156 . . . . 70.11 109.607 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -65.04 153.35 40.98 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.604 0.761 . . . . 75.31 110.261 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.567 ' HA ' HD12 ' B' ' 88' ' ' LEU . 57.0 tp60 -54.79 -50.15 87.58 Favored Pre-proline 0 CA--C 1.567 1.609 0 C-N-CA 123.827 0.851 . . . . 71.24 113.23 -171.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.492 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 32.7 Cg_exo -63.26 -36.7 55.32 Favored 'Trans proline' 0 C--N 1.387 2.576 0 C-N-CA 122.339 2.026 . . . . 73.14 113.452 172.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 15.8 m -63.82 -31.56 72.77 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.825 0.85 . . . . 72.11 111.126 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' B' ' 85' ' ' GLN . 61.4 mt -60.22 -48.9 79.77 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.165 0.986 . . . . 74.04 110.54 173.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -66.75 -31.11 71.54 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.604 -0.726 . . . . 72.31 111.265 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -64.6 -38.41 90.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.964 0.506 . . . . 71.51 111.422 175.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.481 HD23 HG23 ' B' ' 50' ' ' ILE . 97.5 mt -70.39 -34.25 72.34 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.183 0.593 . . . . 63.43 111.017 176.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.03 -45.41 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.254 0.622 . . . . 71.42 110.24 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.76 -40.59 95.54 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.714 0.806 . . . . 71.13 110.773 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.05 -42.1 73.34 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.475 0.71 . . . . 65.24 111.423 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.508 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -73.08 -29.34 62.87 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.875 0.47 . . . . 73.23 111.522 -178.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -68.95 -45.83 69.73 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.832 0.853 . . . . 72.11 109.442 172.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . 0.465 ' HE1' ' HB3' ' B' ' 43' ' ' LEU . 71.3 t80 -69.3 -37.28 77.72 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.49 1.116 . . . . 65.12 111.92 -177.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.492 HD22 HD11 ' B' ' 27' ' ' ILE . 96.0 mt -91.46 -8.25 48.28 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.455 0.702 . . . . 73.05 110.767 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.521 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 0.7 OUTLIER 67.72 22.25 8.99 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.42 1.088 . . . . 70.0 110.947 174.366 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.568 HG12 ' HA ' ' B' ' 24' ' ' SER . 33.2 mt -84.17 85.54 2.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 108.552 -0.907 . . . . 70.44 108.552 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.89 -37.96 32.32 Favored Pre-proline 0 CA--C 1.562 1.415 0 CA-C-N 114.052 -1.431 . . . . 73.24 112.764 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . 0.439 ' O ' HG23 ' B' ' 106' ' ' VAL . 70.6 Cg_exo -48.25 -46.65 22.18 Favored 'Trans proline' 0 C--N 1.398 3.17 0 C-N-CA 122.601 2.201 . . . . 62.11 114.042 169.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.508 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.6 tm? -77.93 -41.19 37.19 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.23 0.612 . . . . 73.52 109.83 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.542 HD21 HD21 ' A' ' 104' ' ' LEU . 62.9 tp -57.2 -43.05 82.37 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.42 1.088 . . . . 75.21 111.027 -178.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.405 ' O ' ' HD3' ' B' ' 109' ' ' LYS . 25.7 t70 -63.01 -49.0 76.35 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 124.112 0.882 . . . . 64.31 110.427 -179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 102' ' ' PRO . 97.3 t -60.56 -44.84 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.286 0.634 . . . . 72.31 111.287 -178.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 19.2 m -68.78 -37.92 79.66 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.102 0.561 . . . . 51.43 111.366 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 97.2 m -67.49 -31.96 72.46 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.159 0.584 . . . . 72.45 110.743 177.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' B' ' 105' ' ' ASP . 1.0 OUTLIER -74.76 -36.53 62.57 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.073 0.549 . . . . 75.42 110.446 175.569 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.4 m -64.67 -46.76 81.08 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.03 0.532 . . . . 73.04 110.844 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 31.6 m -67.43 -32.97 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 116.154 -0.476 . . . . 63.15 110.902 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.22 -31.69 67.89 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.365 0.666 . . . . 61.12 110.863 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -33.74 75.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.107 0.563 . . . . 75.33 111.766 -179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 38.6 mtm -65.47 -33.52 76.14 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.827 0.704 . . . . 34.11 111.612 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.439 HD13 ' CD2' ' A' ' 89' ' ' PHE . 25.8 pt -94.76 -35.17 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 116.264 -0.426 . . . . 64.34 111.193 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 . . . . . 0 C--N 1.355 0.819 0 C-N-CA 125.852 1.661 . . . . 74.32 108.773 179.258 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.3 mt . . . . . 0 CA--C 1.543 0.697 0 N-CA-C 110.613 -0.143 . . . . 75.22 110.613 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -85.3 131.83 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.748 -0.834 . . . . 74.43 108.748 168.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 85.5 mttt -103.38 125.21 49.86 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.961 -0.755 . . . . 74.34 108.961 -172.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -119.78 96.9 5.37 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.311 0.644 . . . . 74.52 109.596 -172.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -75.14 109.08 8.33 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.28 -0.637 . . . . 63.25 109.28 174.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.9 p -63.64 -175.22 0.12 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.013 0.925 . . . . 74.43 112.044 175.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 t -57.27 -30.73 64.92 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.751 0.821 . . . . 53.21 111.055 172.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.54 ' HB2' ' HB3' ' A' ' 48' ' ' SER . 6.3 m-20 -89.58 9.4 26.92 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.265 1.026 . . . . 74.21 111.77 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 62.19 20.6 11.84 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.33 1.052 . . . . 71.33 112.415 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -79.34 120.97 24.53 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.697 -0.853 . . . . 63.42 108.697 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.1 t -76.89 96.31 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.065 0.946 . . . . 51.11 109.708 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -85.97 89.62 7.85 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.396 0.617 . . . . 74.34 110.473 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -77.5 101.94 6.69 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.73 -1.123 . . . . 53.44 108.862 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' A' ' 55' ' ' LEU . 19.4 tt -131.84 151.89 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 108.901 -0.777 . . . . 63.43 108.901 -178.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -59.57 136.74 58.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 122.985 0.514 . . . . 74.23 111.11 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 18' ' ' LYS . 31.7 ttpt -56.97 -39.77 75.23 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.426 1.09 . . . . 74.01 111.224 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -52.34 -37.86 57.15 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.532 1.133 . . . . 75.41 111.567 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.519 HG21 HD11 ' A' ' 16' ' ' ILE . 32.6 mt -74.56 -42.12 48.77 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 114.555 -1.202 . . . . 72.13 109.903 -177.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -10.16 59.19 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.739 0.816 . . . . 73.44 112.499 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -73.36 -25.85 60.76 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.276 0.63 . . . . 63.44 111.529 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.483 ' SD ' ' ND1' ' A' ' 61' ' ' HIS . 46.0 mtm -69.84 -33.58 72.5 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.203 0.525 . . . . 73.42 110.097 175.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 t -69.25 108.18 3.55 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.744 -1.116 . . . . 60.0 108.303 168.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.437 ' HB ' ' HB2' ' A' ' 99' ' ' ASP . 65.5 t -59.44 -41.6 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.577 0.751 . . . . 52.35 110.476 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 m -65.09 -52.5 55.15 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.914 0.885 . . . . 64.14 112.28 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.409 HG13 HD22 ' A' ' 98' ' ' LEU . 83.0 mt -63.52 -42.73 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 109.979 -0.378 . . . . 63.0 109.979 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -60.38 -44.84 95.26 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.484 0.714 . . . . 74.25 110.8 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -67.8 -30.59 70.06 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.47 0.482 . . . . 70.24 111.473 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.6 mtt -66.84 -42.01 86.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.053 0.541 . . . . 71.03 110.627 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.9 mt -63.21 -47.97 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 123.525 0.73 . . . . 64.14 109.754 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.42 -36.06 82.93 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.884 0.873 . . . . 43.34 111.803 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.84 -43.05 80.44 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.793 0.837 . . . . 74.01 110.753 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.7 mt -70.55 -28.55 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-N 115.398 -0.819 . . . . 73.52 109.707 174.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.1 14.93 53.68 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 116.129 -0.487 . . . . 61.11 112.172 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 70.46 97.84 0.06 Allowed 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.733 1.613 . . . . 74.11 110.742 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.4 p -114.91 -177.95 3.25 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.133 0.973 . . . . 61.41 109.2 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -82.18 -11.29 58.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.189 0.596 . . . . 75.4 110.368 173.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -60.33 130.24 89.5 Favored Pre-proline 0 C--N 1.357 0.932 0 C-N-CA 123.976 0.91 . . . . 71.13 110.368 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.545 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.0 Cg_endo -68.86 160.03 51.4 Favored 'Trans proline' 0 C--N 1.365 1.434 0 C-N-CA 122.734 2.29 . . . . 62.02 111.609 175.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -107.98 94.04 11.98 Favored Pre-proline 0 CA--C 1.55 0.975 0 N-CA-C 107.769 -1.196 . . . . 73.44 107.769 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -71.82 128.41 14.14 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.592 2.195 . . . . 65.42 110.943 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.3 mt -109.4 83.81 2.69 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 124.06 0.944 . . . . 52.23 108.55 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -79.79 -3.13 12.64 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.585 2.19 . . . . 72.22 112.791 -172.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -78.96 -50.2 11.53 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.191 0.996 . . . . 73.45 109.672 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.18 137.1 22.22 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.369 0.668 . . . . 75.13 110.467 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -76.08 171.25 14.78 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.787 0.835 . . . . 73.23 111.04 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.54 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 67.5 p -70.49 -48.16 57.07 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.817 0.673 . . . . 34.41 112.817 -171.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.1 p -62.72 -38.96 92.51 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.277 0.631 . . . . 73.43 110.859 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.432 HG23 HD23 ' A' ' 91' ' ' LEU . 49.7 mm -73.54 -47.79 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.592 -0.731 . . . . 60.23 110.218 -178.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 44.0 tp -61.49 -34.19 75.06 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.899 0.749 . . . . 55.43 110.548 178.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.93 -53.63 56.24 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.458 0.703 . . . . 65.21 109.812 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -62.86 -40.51 97.71 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.544 -0.753 . . . . 72.33 111.349 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.453 ' HA ' HD11 ' A' ' 103' ' ' LEU . 56.0 t -57.77 -40.25 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.292 0.637 . . . . 75.02 110.225 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.576 ' HB3' HD12 ' A' ' 16' ' ' ILE . 71.0 mt -74.67 -31.62 61.97 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.166 -0.925 . . . . 75.02 111.954 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -70.8 -37.56 73.27 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.187 0.595 . . . . 75.15 111.918 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -67.18 -40.98 86.66 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 121.128 0.49 . . . . 72.23 109.993 173.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.637 ' SG ' HD13 ' A' ' 100' ' ' ILE . 99.1 m -64.71 -34.88 79.34 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.639 -0.71 . . . . 53.1 111.093 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -64.48 -41.09 96.69 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.39 0.676 . . . . 73.5 109.945 173.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -56.59 -39.17 73.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.648 0.779 . . . . 65.34 110.955 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.483 ' ND1' ' SD ' ' A' ' 23' ' ' MET . 58.6 t-80 -74.47 -29.24 61.37 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.607 0.567 . . . . 73.04 111.641 179.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -79.11 -27.72 42.92 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 122.151 -0.343 . . . . 54.13 110.842 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -80.53 -36.24 33.4 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.504 0.722 . . . . 74.04 110.222 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 . . . . . 0 N--CA 1.477 0.885 0 C-N-CA 124.6 1.16 . . . . 73.13 107.963 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.0 mt . . . . . 0 CA--C 1.547 0.862 0 N-CA-C 109.141 -0.688 . . . . 54.23 109.141 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -77.85 130.63 10.62 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.611 2.207 . . . . 74.43 110.955 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -48.55 -38.57 36.03 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 123.784 2.989 . . . . 71.44 114.055 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -58.31 -55.21 37.94 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.662 0.785 . . . . 72.24 111.58 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.27 -27.42 65.41 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.471 0.708 . . . . 75.0 111.441 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -66.91 -49.12 66.57 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.122 0.569 . . . . 71.42 110.451 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -67.54 -24.94 65.6 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.333 0.653 . . . . 65.13 111.694 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -63.15 -44.48 95.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.774 0.829 . . . . 63.54 110.494 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.7 m -74.78 -12.84 60.5 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.309 -0.86 . . . . 61.22 111.838 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -79.16 83.23 5.24 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 121.257 0.551 . . . . 63.34 109.995 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 m -132.42 169.51 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.604 1.161 . . . . 74.42 108.877 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -75.82 170.08 16.91 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.826 0.45 . . . . 74.43 110.046 -177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -61.29 -52.1 73.3 Favored Pre-proline 0 CA--C 1.562 1.409 0 N-CA-C 113.544 0.942 . . . . 74.31 113.544 -172.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 31.3 Cg_endo -60.43 -35.41 90.91 Favored 'Trans proline' 0 C--N 1.391 2.782 0 C-N-CA 121.716 1.611 . . . . 75.2 111.583 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.4 m -66.96 -32.15 73.21 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.374 1.07 . . . . 70.21 111.487 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.4 mt -60.4 -48.85 79.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.878 0.871 . . . . 74.43 110.12 172.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -66.16 -31.53 72.43 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 115.5 -0.773 . . . . 74.32 111.643 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 37.4 mm-40 -66.12 -37.84 86.71 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.12 0.568 . . . . 74.35 111.049 176.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.448 ' HB2' HG21 ' A' ' 107' ' ' THR . 95.7 mt -70.75 -34.77 72.19 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.148 0.579 . . . . 44.22 110.924 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.02 -48.54 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.357 0.663 . . . . 53.54 109.685 173.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.58 -44.21 94.74 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.754 0.822 . . . . 74.34 111.057 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.1 73.14 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.504 0.722 . . . . 72.12 111.773 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.479 ' HB2' HD22 ' A' ' 103' ' ' LEU . . . -68.4 -37.68 80.59 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.986 0.514 . . . . 70.43 111.258 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -69.65 -38.52 77.17 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.496 0.718 . . . . 75.04 110.781 175.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.66 -33.4 75.86 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.348 1.059 . . . . 75.2 111.187 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.417 HD12 HG11 ' A' ' 54' ' ' VAL . 85.7 mt -99.5 -5.54 29.11 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.319 0.648 . . . . 74.12 111.764 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.437 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 3.1 m-20 59.13 30.06 19.75 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.636 1.174 . . . . 73.11 112.05 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.637 HD13 ' SG ' ' A' ' 58' ' ' CYS . 66.1 mt -78.84 87.94 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.585 0 N-CA-C 108.176 -1.046 . . . . 51.15 108.176 173.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.04 -44.2 99.59 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 117.746 -1.121 . . . . 73.15 113.551 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -52.79 -52.94 7.71 Favored 'Trans proline' 0 C--N 1.392 2.849 0 C-N-CA 122.111 1.874 . . . . 55.11 113.447 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 95' ' ' ALA . 5.2 tt -65.49 -46.2 80.64 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.369 0.668 . . . . 61.41 110.364 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.869 HD21 HD21 ' B' ' 104' ' ' LEU . 57.2 tp -59.79 -41.42 91.14 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.997 0.919 . . . . 73.05 111.486 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.453 ' HA ' HD21 ' B' ' 96' ' ' ASN . 20.7 t70 -60.53 -50.67 72.62 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.19 0.996 . . . . 71.32 110.231 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.94 -50.69 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.374 -0.83 . . . . 63.54 111.362 -178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.448 HG21 ' HB2' ' A' ' 91' ' ' LEU . 25.3 m -70.68 -35.79 73.0 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 112.353 0.501 . . . . 70.32 112.353 -171.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.5 m -65.02 -35.37 80.96 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.734 0.414 . . . . 62.24 110.295 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -76.01 -31.39 58.9 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.121 0.569 . . . . 52.42 111.657 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -63.78 -47.2 81.88 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.326 0.65 . . . . 73.24 110.579 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.0 m -65.44 -32.52 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 116.098 -0.501 . . . . 63.53 110.684 176.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.58 -26.96 62.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.408 0.683 . . . . 45.44 111.968 176.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 116' ' ' ARG . 33.6 m-80 -70.55 -25.3 63.04 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.938 0.495 . . . . 63.41 111.781 177.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 54.4 mtm -71.83 -36.73 70.29 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.299 0.571 . . . . 65.03 110.966 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 43.2 pt -100.21 3.79 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.055 0.942 . . . . 51.02 111.467 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.467 ' HB2' ' HA ' ' A' ' 113' ' ' ASN . 63.8 ttt-85 -51.89 71.25 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 126.828 2.051 . . . . 72.13 114.734 -169.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 2.255 0 C-N-CA 124.943 1.259 . . . . 75.23 115.697 179.429 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.986 0.422 . . . . 54.04 110.543 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.8 mt -83.43 117.35 23.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.779 0.432 . . . . 74.52 110.579 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 26.1 m -85.16 131.27 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 108.746 -0.835 . . . . 60.1 108.746 168.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.483 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 87.0 mttt -103.09 125.6 49.88 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.11 -0.7 . . . . 62.2 109.11 -172.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -119.85 97.21 5.51 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.527 0.731 . . . . 74.42 109.707 -172.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.13 109.55 8.71 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.374 -0.602 . . . . 62.41 109.374 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 34.9 p -64.33 -175.17 0.15 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.987 0.915 . . . . 74.33 112.095 176.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -58.16 -29.92 65.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.788 0.835 . . . . 75.51 111.015 172.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.554 ' HB2' ' HB3' ' B' ' 48' ' ' SER . 4.6 m-20 -89.46 9.62 25.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.272 1.029 . . . . 75.0 111.929 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 62.95 18.39 10.82 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.568 1.147 . . . . 64.15 112.907 175.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -77.86 121.39 24.05 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.754 -0.832 . . . . 74.4 108.754 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.06 95.58 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 O-C-N 124.18 0.925 . . . . 70.33 109.935 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -85.62 89.56 7.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.421 0.689 . . . . 73.0 110.509 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -78.42 100.33 6.77 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.616 -1.175 . . . . 55.44 109.079 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.559 HD12 ' HB3' ' B' ' 55' ' ' LEU . 19.6 tt -129.97 151.77 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 108.962 -0.755 . . . . 65.13 108.962 -178.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -59.68 136.65 58.06 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.153 0.581 . . . . 63.43 111.078 -178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' B' ' 18' ' ' LYS . 31.1 ttpt -56.51 -39.76 73.85 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.37 1.068 . . . . 71.44 111.541 -178.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.49 -38.79 60.25 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.493 1.117 . . . . 64.13 111.382 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . 0.518 HG21 HD11 ' B' ' 16' ' ' ILE . 33.8 mt -73.24 -42.26 58.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-N 114.515 -1.221 . . . . 71.3 110.017 -177.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.16 -10.78 59.68 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 115.352 -0.84 . . . . 73.43 112.59 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 83.1 m -73.34 -25.17 60.51 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.1 0.56 . . . . 74.12 111.484 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . 0.478 ' SD ' ' ND1' ' B' ' 61' ' ' HIS . 50.1 mtm -70.38 -33.34 71.29 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.281 0.562 . . . . 72.45 110.12 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.2 t -69.16 108.06 3.46 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.736 -1.12 . . . . 32.32 108.132 168.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' B' ' 99' ' ' ASP . 66.5 t -59.44 -41.07 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.578 0.751 . . . . 72.42 110.495 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 32.6 m -65.34 -52.74 51.84 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.711 0.804 . . . . 71.22 112.232 -176.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.403 HG13 HD22 ' B' ' 98' ' ' LEU . 83.1 mt -63.46 -42.73 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 122.712 0.405 . . . . 71.42 109.949 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -60.29 -45.04 94.74 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.381 0.673 . . . . 63.12 110.68 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -66.57 -32.0 73.06 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.483 0.49 . . . . 75.02 111.816 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.5 mtt -66.54 -41.63 88.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.654 0.596 . . . . 70.21 110.457 175.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.03 -48.43 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 C-N-CA 123.364 0.666 . . . . 62.02 109.839 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.58 -35.58 81.45 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.915 0.886 . . . . 50.25 111.684 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.47 -43.45 80.97 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.164 0.986 . . . . 72.3 110.746 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -71.3 -27.35 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.283 -0.871 . . . . 65.32 109.91 174.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.16 18.43 49.99 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 116.021 -0.536 . . . . 42.44 112.078 -176.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 68.4 97.02 0.06 Allowed 'General case' 0 C--N 1.351 0.655 0 C-N-CA 125.717 1.607 . . . . 65.01 111.224 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 59.4 p -113.69 -178.78 3.46 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.452 1.101 . . . . 73.22 109.204 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -83.0 -11.5 58.06 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.969 -0.559 . . . . 75.34 110.378 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -60.23 132.69 90.31 Favored Pre-proline 0 C--N 1.358 0.935 0 C-N-CA 124.073 0.949 . . . . 62.54 110.557 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.483 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 60.9 Cg_endo -70.7 161.19 46.93 Favored 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 122.943 2.428 . . . . 73.13 111.74 176.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.65 93.54 12.25 Favored Pre-proline 0 CA--C 1.551 0.982 0 N-CA-C 107.635 -1.246 . . . . 71.21 107.635 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.83 127.17 12.69 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.564 2.176 . . . . 52.22 111.056 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.8 mt -108.39 84.28 2.27 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 124.055 0.942 . . . . 73.05 108.794 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -79.95 -3.18 12.61 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 122.564 2.176 . . . . 65.23 112.841 -173.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -78.1 -50.8 11.33 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.123 0.969 . . . . 71.44 109.414 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.25 136.83 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.533 0.733 . . . . 73.11 110.534 -176.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 70.6 p -75.83 171.45 14.37 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.774 0.83 . . . . 65.23 111.192 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.554 ' HB3' ' HB2' ' B' ' 10' ' ' ASP . 61.4 p -69.94 -48.5 58.19 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.236 0.614 . . . . 71.2 112.635 -171.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 55.1 p -63.24 -38.3 90.61 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.184 0.593 . . . . 75.24 110.958 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.425 HG23 HD23 ' B' ' 91' ' ' LEU . 50.7 mm -74.03 -47.66 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 115.398 -0.819 . . . . 74.23 110.092 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 44.5 tp -61.65 -33.95 74.85 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.964 0.79 . . . . 63.3 110.652 178.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.93 -53.86 53.68 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.399 0.68 . . . . 63.31 109.688 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -62.67 -40.59 97.55 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 123.909 0.756 . . . . 64.22 111.387 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.459 ' HA ' HD11 ' B' ' 103' ' ' LEU . 55.7 t -57.67 -40.37 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.219 0.608 . . . . 74.43 110.275 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.559 ' HB3' HD12 ' B' ' 16' ' ' ILE . 71.3 mt -74.48 -31.54 62.26 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.293 -0.867 . . . . 63.13 111.91 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -70.66 -37.62 73.71 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.222 0.609 . . . . 74.33 111.901 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -67.41 -40.78 85.59 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.061 0.544 . . . . 71.42 110.025 173.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' B' ' 100' ' ' ILE . 98.3 m -64.8 -35.17 80.23 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.576 -0.738 . . . . 74.02 110.95 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.55 -40.79 96.23 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.417 0.687 . . . . 71.54 110.072 173.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -56.91 -39.23 74.06 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.54 0.736 . . . . 64.42 110.842 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . 0.478 ' ND1' ' SD ' ' B' ' 23' ' ' MET . 57.0 t-80 -74.29 -29.94 61.86 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.979 -0.555 . . . . 72.24 111.565 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -78.27 -29.11 47.84 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 120.937 0.398 . . . . 43.51 111.033 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -78.5 -36.92 44.34 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.668 0.787 . . . . 74.3 110.376 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 108.05 -1.093 . . . . 74.42 108.05 -179.932 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 108.981 -0.748 . . . . 71.41 108.981 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -77.36 130.66 11.11 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.56 2.174 . . . . 72.42 111.108 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -48.57 -39.42 37.17 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 123.782 2.988 . . . . 72.14 113.713 176.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -58.0 -54.83 42.51 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.718 0.807 . . . . 63.32 111.645 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.75 -27.6 66.06 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.372 0.669 . . . . 63.13 111.549 -175.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 52.1 ttt-85 -67.14 -49.54 64.45 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.024 0.53 . . . . 73.32 110.213 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.72 -24.0 65.33 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.527 0.731 . . . . 74.14 111.442 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.92 -45.5 88.98 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.736 0.815 . . . . 75.32 110.398 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.51 -13.17 61.0 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.179 -0.919 . . . . 73.42 111.719 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -78.5 83.4 4.7 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 121.143 0.496 . . . . 73.44 110.123 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.62 169.9 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.517 1.127 . . . . 71.41 109.014 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -76.77 170.05 17.17 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.003 0.521 . . . . 65.14 109.905 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.83 -52.7 70.52 Favored Pre-proline 0 N--CA 1.488 1.443 0 N-CA-C 113.617 0.969 . . . . 75.01 113.617 -172.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.412 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 31.1 Cg_endo -60.34 -35.74 90.1 Favored 'Trans proline' 0 C--N 1.389 2.691 0 C-N-CA 121.887 1.725 . . . . 60.25 111.624 175.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 16.1 m -67.07 -31.93 72.76 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.329 1.052 . . . . 73.24 111.42 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.95 -49.21 78.57 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.982 0.913 . . . . 72.21 109.989 172.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -66.17 -31.5 72.37 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 115.588 -0.733 . . . . 74.1 111.76 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 33.6 mm-40 -66.4 -37.29 84.9 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.509 0.506 . . . . 43.22 110.925 176.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.445 ' HB2' HG21 ' B' ' 107' ' ' THR . 95.6 mt -70.87 -34.75 71.94 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.19 0.596 . . . . 73.54 110.787 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.99 -48.41 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.354 0.662 . . . . 71.34 109.811 173.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.65 -44.52 93.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.864 0.866 . . . . 54.43 111.039 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.57 -43.85 75.67 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.932 0.77 . . . . 41.12 111.695 -176.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.482 ' HB2' HD22 ' B' ' 103' ' ' LEU . . . -68.99 -37.71 78.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.1 -0.5 . . . . 63.42 111.419 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . 0.453 HD21 ' HA ' ' A' ' 105' ' ' ASP . 62.8 t30 -70.11 -37.59 75.4 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.535 0.734 . . . . 74.45 111.168 175.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.36 -32.33 73.92 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.351 1.06 . . . . 74.32 111.076 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.432 HD12 HG11 ' B' ' 54' ' ' VAL . 85.4 mt -100.65 -5.24 26.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.115 0.566 . . . . 72.15 111.914 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . 0.454 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 3.2 m-20 59.27 29.28 18.82 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.683 1.193 . . . . 73.45 112.169 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.643 HD13 ' SG ' ' B' ' 58' ' ' CYS . 65.7 mt -78.3 87.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.444 0 N-CA-C 108.24 -1.022 . . . . 72.31 108.24 173.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -55.51 -44.9 99.89 Favored Pre-proline 0 CA--C 1.562 1.405 0 CA-C-O 117.575 -1.202 . . . . 73.24 113.403 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.59 -52.72 8.24 Favored 'Trans proline' 0 C--N 1.393 2.92 0 C-N-CA 122.2 1.933 . . . . 51.24 113.639 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.482 HD22 ' HB2' ' B' ' 95' ' ' ALA . 5.3 tt -65.61 -46.61 78.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.358 0.663 . . . . 62.12 110.414 -177.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 104' ' ' LEU . 56.2 tp -59.5 -41.56 90.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.97 0.908 . . . . 74.31 111.56 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.54 -49.91 75.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.118 0.967 . . . . 65.33 110.348 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.49 -50.72 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.38 -0.827 . . . . 72.21 111.53 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . 0.445 HG21 ' HB2' ' B' ' 91' ' ' LEU . 26.0 m -70.63 -35.72 73.08 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.901 0.48 . . . . 43.2 112.205 -171.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 70.8 m -65.11 -34.69 78.99 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.793 0.437 . . . . 71.22 110.586 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -76.49 -31.79 57.94 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.18 0.592 . . . . 55.53 111.695 174.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 97.1 m -63.28 -47.52 81.97 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.332 0.653 . . . . 74.14 110.355 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 m -65.66 -32.67 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 CA-C-N 115.916 -0.584 . . . . 72.23 110.75 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.64 -26.88 62.73 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.433 0.693 . . . . 73.53 111.677 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -70.85 -25.17 62.7 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.961 0.504 . . . . 74.54 111.836 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 54.3 mtm -71.3 -36.6 71.69 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.203 0.525 . . . . 73.14 110.626 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.7 pt -102.17 5.18 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 C-N-CA 124.545 1.138 . . . . 74.44 112.112 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 . . . . . 0 N--CA 1.499 1.99 0 N-CA-C 118.058 2.614 . . . . 75.42 118.058 -162.334 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.4 mt . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 110.431 -0.211 . . . . 74.41 110.431 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.6 m -79.31 127.02 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 121.612 0.72 . . . . 73.45 109.57 174.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.512 ' HB3' HG13 ' A' ' 13' ' ' VAL . 90.9 mttt -88.74 113.69 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.071 -0.968 . . . . 75.21 109.469 -172.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.563 HD13 HD13 ' A' ' 27' ' ' ILE . 62.6 mt -115.63 103.73 11.0 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.656 -0.868 . . . . 62.52 108.656 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.669 ' HB2' ' HB3' ' A' ' 42' ' ' PRO . 6.1 mp0 -76.72 150.35 36.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.219 0.533 . . . . 71.42 110.028 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.5 p -89.39 -174.39 4.36 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.7 0.8 . . . . 73.04 111.22 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.6 t -57.91 -33.02 68.31 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.565 0.746 . . . . 55.43 110.295 167.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.61 1.73 40.8 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.433 1.093 . . . . 62.1 111.908 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 64.91 20.86 12.23 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.816 1.247 . . . . 73.25 112.22 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -80.1 123.57 27.99 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.343 -0.614 . . . . 74.41 109.343 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.512 HG13 ' HB3' ' A' ' 5' ' ' LYS . 96.5 t -75.89 103.74 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.466 1.106 . . . . 75.44 110.92 -172.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -94.76 94.01 7.84 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.352 -0.61 . . . . 73.13 109.352 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 33.6 mt-10 -74.41 79.74 1.89 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.049 -0.978 . . . . 72.34 108.709 178.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 tp -91.36 146.71 5.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.15 -0.932 . . . . 71.44 108.864 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.58 135.1 55.63 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 108.633 -0.877 . . . . 63.13 108.633 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -61.64 -35.33 77.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.593 0.757 . . . . 75.44 112.768 -166.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -72.53 -26.92 61.94 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.867 0.467 . . . . 74.23 110.759 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mt -73.25 -35.66 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-O 121.158 0.504 . . . . 72.11 109.729 172.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -25.18 63.64 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.216 0.607 . . . . 54.51 110.83 173.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.492 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 78.3 m -75.82 -28.31 58.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.273 0.629 . . . . 62.4 111.35 173.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.8 mtp -61.81 -33.11 73.55 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.407 0.622 . . . . 71.23 109.945 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.528 ' HA ' HG12 ' A' ' 100' ' ' ILE . 37.6 t -73.72 104.2 4.56 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.924 -1.139 . . . . 72.43 107.924 164.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.52 -38.23 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 122.547 0.339 . . . . 73.23 111.571 -171.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.4 m -61.05 -48.66 80.71 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.943 0.497 . . . . 72.35 111.481 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.563 HD13 HD13 ' A' ' 6' ' ' LEU . 75.3 mt -66.18 -39.26 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 122.714 0.406 . . . . 75.22 110.042 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 22.7 ttpp -57.04 -46.72 82.2 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.966 0.906 . . . . 75.31 110.812 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.42 -43.66 98.49 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.119 0.887 . . . . 74.14 110.323 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.6 mtt -58.96 -46.06 89.0 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.988 0.805 . . . . 72.31 110.649 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.55 -46.82 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.802 0.841 . . . . 75.12 110.163 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.89 -40.46 97.6 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.525 0.73 . . . . 65.32 111.876 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -64.23 -44.05 93.05 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.9 0.48 . . . . 72.03 111.014 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.95 -28.58 33.93 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.517 -0.765 . . . . 61.34 110.488 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.67 24.28 16.18 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 116.476 -0.329 . . . . 60.52 112.446 -177.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 67.44 92.07 0.08 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.808 1.643 . . . . 74.34 111.06 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.6 p -108.43 163.17 13.45 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.503 0.721 . . . . 54.11 111.006 -177.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -18.97 51.89 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.859 0.864 . . . . 54.33 110.394 173.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.0 p -57.42 125.83 72.89 Favored Pre-proline 0 CA--C 1.551 1.001 0 O-C-N 124.226 0.954 . . . . 70.04 111.784 -175.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.7 Cg_endo -69.54 135.18 30.3 Favored 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 122.51 2.14 . . . . 63.42 111.528 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.8 mm -107.43 97.45 19.4 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 122.972 0.509 . . . . 72.53 109.647 -175.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.669 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 74.4 Cg_endo -75.38 131.42 13.85 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 122.386 2.057 . . . . 62.43 111.911 175.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.03 96.33 6.71 Favored Pre-proline 0 CA--C 1.553 1.061 0 N-CA-C 108.409 -0.96 . . . . 63.41 108.409 172.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -76.22 -9.47 19.08 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 122.83 2.353 . . . . 53.11 113.425 -174.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -70.61 -52.22 22.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.713 0.805 . . . . 63.24 110.501 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.407 HG11 HD13 ' A' ' 51' ' ' LEU . 9.0 p -89.99 135.68 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 115.593 -0.73 . . . . 53.22 110.056 -174.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.7 p -78.91 172.66 13.47 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.363 0.665 . . . . 70.44 111.092 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.3 p -65.22 -48.28 73.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.496 0.718 . . . . 72.3 112.356 -173.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.5 m -63.7 -45.37 90.32 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.788 0.68 . . . . 63.52 111.266 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.2 mm -70.48 -44.23 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 122.457 0.303 . . . . 71.51 110.229 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.407 HD13 HG11 ' A' ' 46' ' ' VAL . 49.7 tp -61.9 -40.49 95.64 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.046 0.539 . . . . 75.12 110.34 178.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.99 -49.84 76.35 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 123.839 0.712 . . . . 62.44 110.417 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -66.98 -42.31 85.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 124.34 1.025 . . . . 64.31 111.919 -176.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.37 -38.45 80.83 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 N-CA-C 109.889 -0.411 . . . . 73.34 109.889 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.73 -30.16 65.31 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.856 0.462 . . . . 72.2 111.084 173.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -71.12 -35.98 71.96 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.71 0.804 . . . . 63.31 109.772 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -68.22 -43.34 78.18 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 115.696 -0.684 . . . . 71.15 109.789 170.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.646 ' SG ' HD13 ' A' ' 100' ' ' ILE . 78.3 m -61.87 -31.26 71.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 122.363 0.265 . . . . 72.53 111.001 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 24.5 mtp180 -66.02 -49.3 68.21 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.902 0.881 . . . . 72.03 109.792 171.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -54.4 -46.63 73.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.483 1.113 . . . . 73.12 111.812 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -80.26 -15.62 56.54 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.627 0.771 . . . . 72.01 111.011 -176.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -79.61 -47.23 15.79 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.438 0.695 . . . . 74.13 110.01 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 16.2 mm100 -72.29 -30.45 64.82 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.342 -0.845 . . . . 64.55 110.155 -178.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 124.059 0.944 . . . . 71.22 108.929 175.431 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.2 mt . . . . . 1 N--CA 1.603 7.199 0 N-CA-C 113.338 0.866 . . . . 74.44 113.338 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -95.64 141.72 1.05 Allowed 'Trans proline' 0 C--N 1.396 3.05 0 C-N-CA 121.483 1.456 . . . . 63.11 111.992 169.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.68 -22.52 64.23 Favored 'Trans proline' 0 CA--C 1.551 1.347 0 C-N-CA 122.239 1.959 . . . . 71.34 111.732 169.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -56.78 -54.22 48.82 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.529 1.531 . . . . 73.53 111.394 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -71.38 -22.86 61.83 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.216 -0.902 . . . . 32.1 112.056 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -60.72 -41.56 95.53 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 109.977 -0.379 . . . . 61.42 109.977 173.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.78 -38.73 87.14 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 123.689 0.618 . . . . 53.33 110.873 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.507 ' CZ ' HD21 ' A' ' 103' ' ' LEU . 61.0 t80 -59.26 -41.15 88.13 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.577 0.751 . . . . 73.34 110.818 175.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.97 -2.53 21.39 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.84 0.856 . . . . 74.51 112.603 -174.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -77.17 83.71 3.65 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 121.734 0.778 . . . . 75.24 109.505 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.519 HG11 HD11 ' A' ' 91' ' ' LEU . 15.9 m -134.11 162.04 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.021 1.328 . . . . 54.23 109.216 -177.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.49 172.62 10.85 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.237 -1.023 . . . . 75.1 108.237 169.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.421 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 23.1 tp60 -61.81 -49.84 84.21 Favored Pre-proline 0 CA--C 1.568 1.666 0 CA-C-O 118.303 -0.856 . . . . 72.22 112.446 -175.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.421 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 49.3 Cg_exo -58.71 -41.1 66.93 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 122.064 1.843 . . . . 72.51 112.584 173.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.9 m -65.43 -30.24 71.01 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.083 0.953 . . . . 72.5 111.567 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.03 -44.96 87.4 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.008 0.923 . . . . 75.23 108.941 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.471 ' HE1' ' HE1' ' B' ' 89' ' ' PHE . 35.3 m-85 -68.23 -30.61 69.72 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.529 -0.76 . . . . 73.22 111.549 177.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -60.02 -35.88 76.02 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.016 0.526 . . . . 71.32 111.367 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.519 HD11 HG11 ' A' ' 83' ' ' VAL . 82.9 mt -67.73 -39.04 84.31 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.427 0.691 . . . . 61.21 110.5 176.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.7 -42.81 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.631 0.772 . . . . 73.54 110.301 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.22 -43.15 87.52 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.135 0.974 . . . . 73.21 110.673 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.66 -37.26 70.82 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.613 0.765 . . . . 70.22 111.448 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.61 -32.54 66.02 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.833 0.453 . . . . 64.25 111.568 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -75.37 -37.8 60.4 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.253 0.621 . . . . 73.24 110.022 175.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -66.57 -46.69 75.18 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.812 0.845 . . . . 61.45 111.125 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.405 HD22 HD11 ' A' ' 27' ' ' ILE . 98.8 mt -89.26 -7.41 55.51 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.686 0.794 . . . . 52.44 111.567 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.8 t0 61.5 34.12 18.16 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.673 1.189 . . . . 72.25 110.991 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.646 HD13 ' SG ' ' A' ' 58' ' ' CYS . 36.8 mt -87.61 80.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.429 0 N-CA-C 108.254 -1.017 . . . . 74.23 108.254 174.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.5 -37.12 38.24 Favored Pre-proline 0 CA--C 1.554 1.099 0 CA-C-N 114.212 -1.358 . . . . 72.32 113.518 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -46.96 -42.54 25.35 Favored 'Trans proline' 0 C--N 1.397 3.101 0 C-N-CA 121.866 1.711 . . . . 61.14 113.091 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.2 tm? -79.62 -43.64 22.5 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.987 -0.375 . . . . 73.02 109.987 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.415 HD21 HD21 ' B' ' 104' ' ' LEU . 59.2 tp -55.65 -44.58 77.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.064 0.946 . . . . 72.11 111.269 -177.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -70.28 -42.74 71.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.058 0.849 . . . . 73.01 111.04 -175.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.0 t -61.05 -42.17 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.084 0.554 . . . . 54.22 110.578 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -71.77 -30.49 65.62 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.558 0.743 . . . . 42.33 110.88 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.449 ' HB3' HD23 ' B' ' 93' ' ' LEU . 89.8 m -69.92 -33.64 72.44 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.499 0.72 . . . . 54.12 110.287 173.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -71.56 -32.99 68.71 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.701 0.4 . . . . 74.05 110.472 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 83.8 m -60.52 -46.85 88.62 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.073 0.549 . . . . 74.01 110.691 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.77 -36.41 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.622 0.369 . . . . 51.41 111.419 177.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 116' ' ' ARG . . . -63.68 -42.68 97.99 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.269 0.627 . . . . 65.11 111.585 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -63.4 -34.52 77.92 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.541 0.737 . . . . 60.43 111.791 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 59.4 mtm -78.78 -20.79 49.02 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.993 0.517 . . . . 73.34 111.867 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.457 HG21 ' HD2' ' B' ' 89' ' ' PHE . 41.0 pt -101.33 -1.06 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 112.346 0.498 . . . . 74.15 112.346 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 112' ' ' ALA . 64.3 mtp180 -64.28 93.59 0.1 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.657 0.383 . . . . 70.21 110.182 175.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 CA-C-O 119.377 -0.68 . . . . 71.1 112.102 178.02 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.5 p . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.88 0.371 . . . . 63.44 110.947 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.36 118.18 11.92 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.902 0.881 . . . . 71.23 110.247 178.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 19.3 m -80.4 127.24 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-O 121.632 0.729 . . . . 74.15 109.531 174.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.504 ' HB3' HG13 ' B' ' 13' ' ' VAL . 90.1 mttt -88.5 113.73 24.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.979 -1.01 . . . . 65.05 109.496 -172.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.568 HD13 HD13 ' B' ' 27' ' ' ILE . 63.2 mt -115.54 103.57 10.87 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.493 -0.929 . . . . 53.31 108.493 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.656 ' HB2' ' HB3' ' B' ' 42' ' ' PRO . 5.7 mp0 -76.12 150.15 37.26 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.229 0.538 . . . . 62.42 110.001 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 25.6 p -89.57 -174.16 4.23 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.727 0.811 . . . . 73.22 111.242 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.5 t -58.57 -32.48 68.97 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.677 -0.692 . . . . 64.05 110.493 167.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -83.9 2.22 39.61 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.236 1.015 . . . . 72.11 111.553 177.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 65.23 19.36 11.7 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.996 1.318 . . . . 75.24 112.299 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -79.08 123.25 27.16 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 109.187 -0.671 . . . . 42.34 109.187 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.504 HG13 ' HB3' ' B' ' 5' ' ' LYS . 90.9 t -75.16 105.38 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.521 1.128 . . . . 74.55 110.697 -173.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -96.05 94.64 7.68 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.424 -0.584 . . . . 75.53 109.424 175.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.46 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 33.9 mt-10 -74.72 77.97 2.05 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.24 -0.891 . . . . 64.43 109.136 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.7 tp -89.85 146.69 5.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.436 -0.802 . . . . 64.02 109.115 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -64.83 135.91 56.29 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.664 -0.865 . . . . 64.41 108.664 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -62.41 -34.71 77.29 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.811 0.671 . . . . 74.03 112.811 -165.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -72.1 -27.8 62.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.788 0.435 . . . . 70.11 110.805 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 30.1 mt -72.97 -35.67 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 109.663 -0.495 . . . . 73.4 109.663 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.79 -25.4 63.77 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.14 0.576 . . . . 61.44 110.843 173.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' CYS . . . . . 0.482 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 78.1 m -75.58 -27.87 58.72 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.26 0.624 . . . . 70.3 111.253 173.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 87.4 mtp -62.6 -33.21 74.52 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.316 0.579 . . . . 71.45 109.795 173.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.528 ' HA ' HG12 ' B' ' 100' ' ' ILE . 37.4 t -73.73 104.35 4.61 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 107.878 -1.156 . . . . 62.42 107.878 164.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.38 -38.38 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.617 0.367 . . . . 65.23 111.722 -171.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 99.5 m -61.46 -48.48 80.95 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.032 0.533 . . . . 63.13 111.43 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.568 HD13 HD13 ' B' ' 6' ' ' LEU . 75.5 mt -65.77 -39.39 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 122.755 0.422 . . . . 71.41 109.899 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.482 ' HB2' ' HA ' ' B' ' 22' ' ' CYS . 22.2 ttpp -57.36 -46.51 83.27 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.907 0.883 . . . . 74.52 110.767 176.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -61.94 -42.56 99.25 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 123.951 0.782 . . . . 60.44 110.516 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 65.3 mtt -59.13 -46.59 87.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.622 0.769 . . . . 72.11 110.692 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 88.7 mt -57.66 -47.08 86.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 123.901 0.88 . . . . 73.01 110.134 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.85 -41.04 99.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.572 0.749 . . . . 72.13 111.781 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -64.31 -43.55 94.35 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.033 0.533 . . . . 73.53 111.027 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.16 -28.64 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 115.818 -0.628 . . . . 74.43 110.66 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.21 29.53 10.2 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 112.04 -0.424 . . . . 31.42 112.04 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 62.91 91.08 0.07 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.63 1.572 . . . . 75.0 111.065 177.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 33.7 p -106.96 165.06 11.62 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.594 0.758 . . . . 75.13 110.602 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -17.34 50.64 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.721 -0.672 . . . . 72.33 109.799 174.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 79.5 p -57.56 125.58 72.64 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 123.641 0.776 . . . . 64.21 111.867 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' PRO . . . . . 0.479 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 59.1 Cg_endo -69.19 134.68 29.81 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.504 2.136 . . . . 74.43 111.247 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mm -107.28 97.72 19.95 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.108 0.563 . . . . 73.44 109.581 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' PRO . . . . . 0.656 ' HB3' ' HB2' ' B' ' 7' ' ' GLU . 73.3 Cg_endo -76.16 129.84 11.65 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.489 2.126 . . . . 72.11 112.117 176.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.54 96.57 5.46 Favored Pre-proline 0 CA--C 1.554 1.1 0 N-CA-C 108.466 -0.939 . . . . 74.5 108.466 172.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -76.43 -9.72 18.83 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.93 2.42 . . . . 73.32 113.464 -175.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -70.1 -52.57 22.75 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.796 0.838 . . . . 52.21 110.43 176.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -89.85 136.05 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-N 115.599 -0.728 . . . . 73.52 110.079 -174.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 45.8 p -78.93 173.4 12.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.49 0.716 . . . . 74.34 111.041 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 53.4 p -66.22 -47.78 72.73 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.317 0.647 . . . . 71.02 112.285 -173.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 89.8 m -63.95 -45.8 87.54 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 123.781 0.676 . . . . 63.54 111.324 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 51.3 mm -69.91 -44.25 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 110.212 -0.292 . . . . 74.31 110.212 -177.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.9 -40.26 94.84 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.995 0.518 . . . . 63.24 110.434 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.33 -50.23 74.79 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 123.899 0.749 . . . . 73.01 110.251 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -66.04 -42.65 89.27 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 124.36 1.037 . . . . 75.35 111.732 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.49 -38.96 81.58 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 122.791 0.436 . . . . 64.21 110.092 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 83.6 mt -71.02 -30.12 66.24 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.956 0.502 . . . . 74.25 111.207 173.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -71.46 -36.32 71.17 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.807 0.843 . . . . 64.04 109.747 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.88 -42.98 80.41 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 115.666 -0.697 . . . . 61.3 109.647 170.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.636 ' SG ' HD13 ' B' ' 100' ' ' ILE . 74.7 m -62.27 -31.21 71.76 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 122.308 0.243 . . . . 55.03 111.017 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 26.7 mtp180 -65.99 -48.88 69.74 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.763 0.825 . . . . 72.35 109.725 171.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -54.61 -46.8 73.91 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.629 1.172 . . . . 55.42 111.806 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -80.24 -15.48 56.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.734 0.814 . . . . 73.1 111.088 -176.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 t60 -79.7 -47.04 15.99 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.508 0.723 . . . . 71.33 110.213 177.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 16.1 mm100 -72.22 -30.29 64.77 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.218 -0.901 . . . . 64.22 110.042 -178.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 . . . . . 0 CA--C 1.535 0.399 0 C-N-CA 124.08 0.952 . . . . 55.43 108.556 175.764 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 22.8 mt . . . . . 1 N--CA 1.609 7.488 0 N-CA-C 118.658 2.836 . . . . 71.24 118.658 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -94.26 153.89 2.08 Favored 'Trans proline' 0 CA--C 1.563 1.943 0 C-N-CA 123.414 2.743 . . . . 62.14 112.375 167.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.51 -23.36 57.68 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 121.887 1.725 . . . . 73.54 111.71 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -56.47 -53.69 54.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.696 1.598 . . . . 75.44 111.381 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -71.57 -22.38 61.75 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.17 -0.923 . . . . 74.21 112.29 -175.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -60.43 -41.01 93.12 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.554 0.342 . . . . 70.43 110.231 173.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.27 -37.25 80.51 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.772 -0.649 . . . . 62.11 110.924 174.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' PHE . . . . . 0.486 ' CZ ' HD21 ' B' ' 103' ' ' LEU . 61.1 t80 -60.1 -40.71 90.6 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.382 0.673 . . . . 74.03 110.666 175.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 72.5 m -73.7 -2.3 22.68 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.943 0.897 . . . . 75.43 112.655 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -76.93 82.78 3.47 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 121.875 0.845 . . . . 55.04 109.489 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.54 HG11 HD11 ' B' ' 91' ' ' LEU . 16.1 m -132.96 161.76 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.992 1.317 . . . . 71.03 109.439 -178.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -85.71 171.54 11.53 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.117 -1.068 . . . . 64.12 108.117 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . 0.417 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 22.8 tp60 -60.64 -49.96 87.44 Favored Pre-proline 0 CA--C 1.568 1.666 0 CA-C-O 118.362 -0.828 . . . . 64.4 112.604 -176.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 48.6 Cg_exo -59.15 -41.74 57.41 Favored 'Trans proline' 0 C--N 1.388 2.645 0 C-N-CA 121.934 1.756 . . . . 55.32 112.671 173.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 11.6 m -64.17 -30.39 71.45 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.969 0.908 . . . . 70.11 111.473 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.87 -45.59 85.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.096 0.958 . . . . 51.24 109.087 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.471 ' HE1' ' HE1' ' A' ' 89' ' ' PHE . 39.2 m-85 -68.9 -30.22 68.66 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.478 -0.783 . . . . 74.14 111.417 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.65 -35.43 74.4 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.917 0.487 . . . . 74.54 111.417 175.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.54 HD11 HG11 ' B' ' 83' ' ' VAL . 84.0 mt -67.64 -39.3 84.64 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.35 0.66 . . . . 63.53 110.535 175.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.421 HD12 ' HD1' ' B' ' 89' ' ' PHE . 59.3 mt -65.51 -42.79 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.565 0.746 . . . . 72.31 110.287 176.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 108' ' ' CYS . 95.3 mt -66.12 -43.21 87.79 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.151 0.981 . . . . 75.53 110.667 -178.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.62 -37.78 70.86 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.695 0.798 . . . . 73.33 111.318 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' ALA . . . . . 0.522 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -72.1 -32.23 66.79 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.907 0.483 . . . . 74.14 111.518 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -75.88 -38.33 57.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.147 0.579 . . . . 64.34 109.925 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -65.71 -47.52 75.08 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.082 0.953 . . . . 75.13 111.111 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.407 HD22 HD11 ' B' ' 27' ' ' ILE . 99.2 mt -88.62 -7.99 55.43 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.922 0.889 . . . . 73.51 111.608 -177.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 36.8 t0 61.66 34.57 17.5 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.833 1.253 . . . . 74.24 111.055 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.636 HD13 ' SG ' ' B' ' 58' ' ' CYS . 37.1 mt -87.69 80.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.412 0 N-CA-C 108.06 -1.089 . . . . 64.15 108.06 174.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' LYS . . . . . 0.413 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 94.1 mttt -61.55 -37.15 38.25 Favored Pre-proline 0 CA--C 1.553 1.062 0 CA-C-N 114.129 -1.396 . . . . 70.53 113.414 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -46.71 -42.93 23.97 Favored 'Trans proline' 0 C--N 1.397 3.095 0 C-N-CA 121.948 1.766 . . . . 74.12 113.133 169.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.2 tm? -79.41 -43.87 22.53 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.672 0.389 . . . . 64.12 109.998 -179.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 104' ' ' LEU . 60.9 tp -55.19 -44.77 75.58 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.172 0.989 . . . . 73.13 111.19 -177.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -70.59 -42.93 70.38 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.024 0.828 . . . . 42.24 110.904 -175.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.74 -42.21 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 123.081 0.552 . . . . 74.51 110.595 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.8 m -71.55 -30.52 65.98 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.59 0.756 . . . . 75.14 110.981 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.6 m -70.25 -32.51 70.38 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.369 0.668 . . . . 65.3 110.506 173.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -72.47 -32.69 66.45 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.739 0.415 . . . . 54.44 110.336 173.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.1 m -60.75 -46.4 90.58 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.017 0.527 . . . . 75.35 110.797 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.27 -36.57 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 116.231 -0.44 . . . . 51.13 111.401 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' B' ' 116' ' ' ARG . . . -63.02 -43.53 98.46 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.444 0.698 . . . . 71.11 111.56 -177.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.14 -36.16 80.96 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.613 0.765 . . . . 75.24 111.687 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 58.8 mtm -77.52 -23.54 50.18 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.031 0.533 . . . . 74.12 111.935 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.6 pt -98.3 -1.05 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.805 0.442 . . . . 72.2 112.106 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 112' ' ' ALA . 65.8 mtp180 . . . . . 0 N--CA 1.482 1.127 0 C-N-CA 122.652 0.381 . . . . 72.35 110.454 175.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 121.186 0.517 . . . . 54.33 110.773 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 58.2 mt -81.98 118.8 23.26 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.677 0.791 . . . . 75.51 110.353 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.4 m -79.14 128.07 38.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 121.434 0.635 . . . . 54.01 109.295 169.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.553 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 90.1 mttt -86.66 106.13 17.4 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.087 -0.96 . . . . 73.01 109.284 -173.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -109.05 95.73 5.84 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.611 -0.514 . . . . 71.45 109.611 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG3' HG22 ' A' ' 13' ' ' VAL . 5.1 mp0 -70.88 138.17 49.96 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.385 -0.598 . . . . 73.14 109.385 174.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 40.8 p -82.15 -178.28 6.96 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.161 0.584 . . . . 70.32 110.697 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -63.68 -26.05 68.49 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.594 0.758 . . . . 52.13 111.05 170.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 32.5 t70 -89.82 12.66 16.55 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 124.352 1.061 . . . . 70.43 110.742 176.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 70.04 2.15 3.8 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.441 1.496 . . . . 74.51 113.735 170.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -72.9 122.31 21.43 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.706 0.402 . . . . 71.32 110.041 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG22 ' HG3' ' A' ' 7' ' ' GLU . 50.2 t -75.97 109.5 9.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 O-C-N 124.096 0.872 . . . . 72.24 109.541 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -103.32 91.55 4.12 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.73 0.812 . . . . 64.43 109.351 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.553 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 40.7 mt-10 -75.59 116.58 16.46 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 115.11 -0.95 . . . . 65.43 109.631 175.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.546 HD12 ' HB3' ' A' ' 55' ' ' LEU . 18.3 tt -136.39 153.76 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 108.743 -0.836 . . . . 75.42 108.743 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HB2' HG13 ' A' ' 20' ' ' ILE . 53.5 mt-10 -55.05 138.01 45.07 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.905 0.482 . . . . 70.33 111.023 -177.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -57.68 -39.76 77.87 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.97 0.908 . . . . 71.51 110.963 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.46 -28.0 69.37 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.081 0.952 . . . . 74.15 112.343 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.569 HG13 ' HB2' ' A' ' 17' ' ' GLU . 53.1 mt -76.47 -43.84 35.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 123.08 0.552 . . . . 52.44 110.131 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.68 -17.55 55.99 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.571 0.748 . . . . 64.2 112.785 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 60.8 m -71.06 -23.86 62.22 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 123.828 0.851 . . . . 75.23 112.498 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.7 mtm -68.72 -31.21 70.11 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 123.157 0.583 . . . . 64.45 110.66 178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.0 t -74.41 114.49 12.86 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.062 -1.088 . . . . 62.22 108.062 169.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.7 t -61.44 -41.49 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.013 0.525 . . . . 44.43 110.538 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 m -63.61 -52.51 60.57 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.314 0.645 . . . . 72.52 111.846 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.475 HG13 HD22 ' A' ' 98' ' ' LEU . 75.3 mt -64.03 -42.28 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 122.602 0.361 . . . . 72.01 110.22 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 24.2 ttpp -55.76 -52.51 63.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.929 0.891 . . . . 63.55 110.924 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -60.06 -36.57 77.62 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.89 0.876 . . . . 75.34 111.288 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.0 mtt -63.0 -47.32 83.6 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.392 0.433 . . . . 72.31 110.499 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.4 mt -61.33 -33.86 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.74 0.816 . . . . 61.23 110.142 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 44.9 mt-10 -71.26 -45.04 64.09 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.333 0.653 . . . . 75.4 111.76 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -68.03 -42.34 80.75 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 122.782 0.433 . . . . 72.41 111.57 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.2 mt -73.23 -29.88 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 123.888 0.875 . . . . 61.3 110.361 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.57 165.92 40.7 Favored Glycine 0 C--O 1.246 0.859 0 N-CA-C 110.503 -1.039 . . . . 51.24 110.503 -169.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.88 97.68 0.06 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.36 0.664 . . . . 72.53 109.915 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.0 m -127.89 136.44 51.39 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 124.014 0.926 . . . . 72.43 109.526 -176.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -78.22 -4.73 49.21 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.672 0.389 . . . . 62.32 110.629 171.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.0 m -49.07 126.0 14.32 Favored Pre-proline 0 C--N 1.356 0.886 0 C-N-CA 124.955 1.302 . . . . 72.41 111.566 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 37.6 Cg_endo -63.11 129.28 25.23 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.691 2.26 . . . . 64.13 111.947 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.0 mm -105.56 102.75 39.66 Favored Pre-proline 0 CA--C 1.545 0.781 0 N-CA-C 109.204 -0.665 . . . . 75.33 109.204 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.85 146.43 47.85 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.355 2.037 . . . . 45.24 110.913 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.6 mt -118.37 92.95 44.42 Favored Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 107.93 -1.137 . . . . 74.02 107.93 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -81.45 63.28 8.56 Favored 'Trans proline' 0 C--N 1.382 2.315 0 C-N-CA 123.29 2.66 . . . . 65.3 112.567 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -160.61 -50.21 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.366 -0.834 . . . . 73.33 109.161 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.15 125.46 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.089 0 CA-C-N 115.473 -0.785 . . . . 62.04 110.41 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.6 p -79.3 174.84 11.16 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.907 0.883 . . . . 71.45 111.152 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.467 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 73.9 p -66.05 -47.25 74.97 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.466 0.543 . . . . 70.02 112.466 -172.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.8 p -60.74 -37.01 80.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.784 0.833 . . . . 45.35 111.512 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.643 HG23 HD23 ' A' ' 91' ' ' LEU . 43.9 mm -80.62 -46.74 21.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 115.755 -0.657 . . . . 61.25 110.147 -176.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.25 -28.72 69.92 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 123.723 0.809 . . . . 74.34 111.052 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -53.04 -54.07 40.83 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.45 1.1 . . . . 73.23 110.024 171.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtmm -76.98 -32.79 57.49 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.372 -0.831 . . . . 52.31 111.939 -176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.475 HG11 HD12 ' A' ' 98' ' ' LEU . 51.4 t -60.44 -53.1 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 109.447 -0.575 . . . . 72.1 109.447 177.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.546 ' HB3' HD12 ' A' ' 16' ' ' ILE . 68.1 mt -74.57 -29.84 61.5 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.22 -0.9 . . . . 74.31 112.171 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -73.41 -34.06 65.29 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 118.214 0.461 . . . . 74.14 110.795 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -63.77 -42.0 97.86 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.506 -0.553 . . . . 44.44 109.506 170.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 91.3 m -66.56 -31.49 72.23 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 115.253 -0.885 . . . . 74.41 111.178 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 72.8 mtt180 -62.92 -50.52 70.52 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 109.355 -0.609 . . . . 75.11 109.355 171.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -57.92 -44.75 87.06 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.943 0.897 . . . . 73.3 111.314 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -67.5 -35.65 79.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.185 0.994 . . . . 75.23 111.026 -174.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -82.58 -47.21 12.37 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.094 0.557 . . . . 73.23 111.804 -176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -77.69 -29.4 51.38 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.416 0.686 . . . . 72.13 111.198 -175.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -125.31 99.62 33.53 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 107.752 -1.203 . . . . 74.35 107.752 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.95 100.0 0.08 OUTLIER 'Trans proline' 0 C--N 1.378 2.111 0 C-N-CA 122.887 2.391 . . . . 71.3 112.231 -177.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.78 -100.99 0.15 Allowed Glycine 0 C--N 1.343 0.933 0 CA-C-N 115.705 -0.68 . . . . 72.1 111.576 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.73 2.9 86.68 Favored Glycine 0 C--N 1.349 1.288 0 O-C-N 123.532 0.195 . . . . 73.22 112.709 -172.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 27.8 m -153.2 159.59 42.68 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.205 1.402 . . . . 73.53 108.794 -175.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.74 141.42 8.41 Favored Glycine 0 C--N 1.339 0.719 0 N-CA-C 111.262 -0.735 . . . . 45.53 111.262 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.9 mt -79.71 -74.65 0.29 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.734 0.813 . . . . 74.4 108.923 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -111.78 0.26 16.17 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.543 0.687 . . . . 64.11 109.493 173.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -104.64 91.46 3.87 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.564 1.146 . . . . 75.53 109.31 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.0 mp -90.73 108.48 27.8 Favored Pre-proline 0 CA--C 1.545 0.755 0 N-CA-C 108.747 -0.834 . . . . 75.4 108.747 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.94 147.51 30.64 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.539 2.159 . . . . 70.15 111.28 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.58 -50.44 13.81 Favored 'Trans proline' 0 C--N 1.385 2.472 0 C-N-CA 123.562 2.842 . . . . 73.22 113.109 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -54.54 -54.1 45.7 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 123.493 0.496 . . . . 72.34 111.326 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.97 -31.89 73.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.953 0.901 . . . . 61.35 111.48 -170.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -75.59 -45.38 37.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.322 -0.399 . . . . 64.43 110.709 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.69 -23.27 66.1 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 123.463 0.705 . . . . 74.34 111.769 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -67.4 -42.5 83.2 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.328 1.051 . . . . 75.21 109.857 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 65.8 m -76.59 -15.04 59.94 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.772 -1.104 . . . . 75.2 111.981 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -76.25 79.88 3.03 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 109.371 -0.603 . . . . 73.32 109.371 175.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.1 m -132.02 160.07 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.817 1.247 . . . . 61.35 108.55 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.08 156.07 40.04 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 109.176 -0.675 . . . . 70.44 109.176 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -59.48 -46.85 98.83 Favored Pre-proline 0 CA--C 1.567 1.625 0 CA-C-O 118.341 -0.838 . . . . 74.43 113.036 -171.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.65 -47.41 27.38 Favored 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 121.996 1.797 . . . . 73.32 113.381 169.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.2 m -61.62 -30.78 70.92 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.932 0.893 . . . . 64.01 111.64 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 tt -70.13 -43.94 69.94 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.28 1.032 . . . . 65.55 108.935 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.497 ' HE2' ' HE2' ' B' ' 89' ' ' PHE . 19.2 m-85 -63.37 -33.16 74.93 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.789 -0.641 . . . . 63.0 111.174 176.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.47 -36.87 85.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.683 0.793 . . . . 72.21 111.856 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.643 HD23 HG23 ' A' ' 50' ' ' ILE . 95.0 mt -67.14 -36.1 81.13 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.031 0.532 . . . . 73.24 110.539 175.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.36 -43.75 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.3 0.64 . . . . 71.5 109.898 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' B' ' 112' ' ' ALA . 91.2 mt -60.27 -47.95 83.82 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.04 0.936 . . . . 62.32 111.131 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.95 -36.43 80.09 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.872 0.869 . . . . 34.4 111.876 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.35 -32.55 66.57 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.373 0.669 . . . . 74.01 111.559 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -78.73 -36.65 42.95 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.701 0.8 . . . . 71.24 110.261 175.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.92 -39.08 92.97 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.17 0.988 . . . . 75.21 110.827 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.475 HD12 HG11 ' A' ' 54' ' ' VAL . 76.8 mt -96.23 -8.16 33.68 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.297 0.639 . . . . 74.43 111.693 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t70 57.07 34.54 25.06 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.119 1.368 . . . . 74.3 111.527 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.0 mt -78.77 103.38 5.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 107.832 -1.173 . . . . 54.43 107.832 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -58.98 -49.62 92.36 Favored Pre-proline 0 CA--C 1.562 1.419 0 CA-C-O 117.906 -1.045 . . . . 73.21 112.723 -175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.91 -48.55 16.0 Favored 'Trans proline' 0 C--N 1.401 3.331 0 C-N-CA 121.836 1.69 . . . . 61.43 112.672 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.0 -47.08 84.64 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.838 0.455 . . . . 64.44 111.364 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.625 HD21 HD21 ' B' ' 104' ' ' LEU . 48.0 tp -63.18 -42.74 99.41 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.785 0.678 . . . . 62.35 110.511 -177.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.6 -48.76 65.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.798 -0.637 . . . . 53.52 110.535 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.21 -45.66 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.339 0.655 . . . . 73.34 111.185 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 29.7 m -67.79 -35.89 79.48 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 123.147 0.579 . . . . 75.11 111.425 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 75.1 m -72.69 -30.19 64.03 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.089 0.555 . . . . 50.25 110.961 175.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.8 -31.21 59.34 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.022 0.529 . . . . 62.41 110.584 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.9 m -57.81 -53.32 59.55 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.289 0.636 . . . . 75.32 110.643 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.9 m -65.01 -35.01 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 115.759 -0.655 . . . . 75.21 110.955 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.15 96.53 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.284 0.634 . . . . 71.44 111.539 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -70.29 -37.08 74.75 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.722 0.409 . . . . 75.13 110.866 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 71.0 mtm -70.17 -40.66 74.58 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 111.934 0.346 . . . . 73.41 111.934 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 30.7 pt -79.31 -27.09 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 122.549 0.34 . . . . 74.22 111.838 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -92.17 -18.38 23.58 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.179 0.591 . . . . 74.42 111.664 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 CA-C-O 119.109 -0.829 . . . . 72.22 111.306 -178.377 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.978 0.418 . . . . 63.44 110.41 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.3 mt -81.58 118.89 23.13 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.549 -0.75 . . . . 71.23 110.126 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 24.3 m -79.08 128.43 38.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 109.448 -0.575 . . . . 74.33 109.448 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.541 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 90.5 mttt -86.87 106.6 17.86 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.998 0.919 . . . . 71.12 109.095 -173.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.0 mt -109.52 95.38 5.58 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 122.953 0.501 . . . . 64.21 109.714 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.43 ' HG3' HG22 ' B' ' 13' ' ' VAL . 3.5 mp0 -70.67 138.58 50.79 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 109.311 -0.625 . . . . 75.43 109.311 174.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.6 p -82.3 -177.88 6.82 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.343 0.657 . . . . 74.3 110.424 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.6 m -63.99 -27.42 69.11 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.569 0.748 . . . . 54.11 110.443 170.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.46 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 34.3 t70 -88.97 15.08 9.12 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.137 0.975 . . . . 74.52 110.959 175.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 68.11 3.15 3.49 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.169 1.388 . . . . 74.53 113.802 169.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -74.2 122.95 23.6 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.069 0.547 . . . . 74.12 109.869 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.43 HG22 ' HG3' ' B' ' 7' ' ' GLU . 43.7 t -77.13 109.22 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 O-C-N 124.33 1.019 . . . . 65.23 109.646 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -102.86 91.06 3.99 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.58 0.752 . . . . 73.34 109.378 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.541 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 38.8 mt-10 -74.86 115.78 14.84 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.172 -0.922 . . . . 73.31 109.529 175.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.543 HD12 ' HB3' ' B' ' 55' ' ' LEU . 18.2 tt -135.65 153.29 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 123.658 0.783 . . . . 73.2 108.901 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.583 ' HB2' HG13 ' B' ' 20' ' ' ILE . 56.4 mt-10 -55.19 137.34 47.31 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.068 0.547 . . . . 74.42 110.992 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -57.77 -39.29 77.11 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.052 0.941 . . . . 51.33 110.951 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.28 -29.36 70.45 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.007 -0.997 . . . . 71.3 112.196 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.583 HG13 ' HB2' ' B' ' 17' ' ' GLU . 52.9 mt -75.3 -43.72 43.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 123.017 0.527 . . . . 75.34 110.172 175.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.83 -17.54 56.69 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.72 0.808 . . . . 51.52 112.696 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 66.1 m -71.14 -23.39 62.07 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 123.757 0.823 . . . . 73.21 112.465 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 53.7 mtm -69.15 -30.45 68.7 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 122.979 0.512 . . . . 71.34 110.732 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.9 t -75.2 114.38 13.64 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.086 -1.079 . . . . 70.23 108.086 169.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.97 -41.86 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 123.573 0.546 . . . . 73.44 110.477 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 54.9 m -63.18 -52.65 61.5 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.348 0.659 . . . . 70.35 112.037 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.485 HG13 HD22 ' B' ' 98' ' ' LEU . 75.5 mt -64.11 -42.17 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.648 0.379 . . . . 54.23 110.118 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' B' ' 32' ' ' GLU . 24.2 ttpp -55.83 -51.84 66.08 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.016 0.926 . . . . 73.04 110.738 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -60.53 -36.64 78.9 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.955 0.902 . . . . 71.22 111.291 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 66.9 mtt -63.36 -47.23 82.99 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.612 0.57 . . . . 70.13 110.372 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 79.7 mt -61.67 -33.84 59.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 123.651 0.781 . . . . 63.33 110.265 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 43.8 mt-10 -70.85 -45.87 63.72 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.197 0.599 . . . . 74.12 111.482 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.11 -44.54 84.04 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 122.98 0.512 . . . . 71.21 111.582 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -72.79 -28.7 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.99 0.916 . . . . 73.22 110.604 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.1 166.86 40.89 Favored Glycine 0 C--O 1.244 0.771 0 N-CA-C 110.742 -0.943 . . . . 73.03 110.742 -170.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.63 97.02 0.09 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.116 0.567 . . . . 74.12 109.563 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 36.4 m -127.28 137.73 52.91 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.101 -0.954 . . . . 52.44 109.221 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -80.38 -3.02 48.03 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.962 0.505 . . . . 75.12 110.296 171.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -50.27 126.16 20.81 Favored Pre-proline 0 C--N 1.358 0.949 0 C-N-CA 124.977 1.311 . . . . 52.01 111.609 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.461 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 37.0 Cg_endo -63.3 127.91 21.28 Favored 'Trans proline' 0 C--N 1.372 1.792 0 C-N-CA 122.749 2.299 . . . . 43.32 112.44 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 42.3 mm -104.34 103.1 37.15 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 109.334 -0.617 . . . . 70.52 109.334 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -72.53 144.68 40.73 Favored 'Trans proline' 0 C--N 1.374 1.909 0 C-N-CA 122.382 2.055 . . . . 64.14 111.148 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 86.4 mt -116.77 92.42 38.15 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 108.012 -1.107 . . . . 71.21 108.012 178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.39 61.22 8.01 Favored 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 123.379 2.719 . . . . 72.34 112.737 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -158.85 -48.91 0.06 Allowed 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.84 0.856 . . . . 72.54 109.035 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.29 125.98 44.87 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 CA-C-N 115.957 -0.565 . . . . 73.33 110.218 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.2 p -79.56 174.64 11.37 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.732 0.813 . . . . 63.02 111.282 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 63.8 p -65.74 -47.89 73.74 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.042 0.537 . . . . 64.53 112.42 -171.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 47.2 p -60.43 -36.79 79.03 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.839 0.856 . . . . 65.44 111.588 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.641 HG23 HD23 ' B' ' 91' ' ' LEU . 43.5 mm -80.68 -46.99 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 115.667 -0.697 . . . . 73.41 110.169 -177.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 25.5 tp -64.25 -28.67 69.89 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 123.847 0.859 . . . . 73.21 111.023 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -52.89 -54.13 39.16 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.382 1.073 . . . . 73.33 110.049 171.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -77.02 -32.53 57.16 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.359 -0.837 . . . . 64.12 111.958 -176.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.46 HG11 HD12 ' B' ' 98' ' ' LEU . 51.2 t -60.7 -53.17 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 109.418 -0.586 . . . . 44.44 109.418 177.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.543 ' HB3' HD12 ' B' ' 16' ' ' ILE . 68.8 mt -74.54 -29.52 61.41 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.265 -0.88 . . . . 73.14 111.977 -178.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.81 -34.34 64.56 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 118.145 0.43 . . . . 55.24 110.852 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -63.34 -41.86 98.89 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.452 -0.573 . . . . 71.42 109.452 170.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 88.9 m -66.89 -31.22 71.66 Favored 'General case' 0 CA--C 1.556 1.201 0 CA-C-N 115.271 -0.877 . . . . 72.41 111.243 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 74.8 mtt180 -63.05 -50.7 69.62 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 123.182 0.593 . . . . 73.34 109.484 171.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -58.11 -44.6 87.8 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.195 -0.911 . . . . 53.24 111.241 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -67.64 -36.11 80.15 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.356 1.062 . . . . 72.04 111.083 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -81.97 -47.31 12.84 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.025 -0.534 . . . . 61.05 111.557 -177.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -77.56 -28.05 51.68 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.479 0.712 . . . . 74.55 111.276 -175.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 m-70 -126.3 100.32 29.64 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 107.721 -1.215 . . . . 72.0 107.721 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -57.39 96.83 0.07 OUTLIER 'Trans proline' 0 C--N 1.379 2.156 0 C-N-CA 122.947 2.431 . . . . 73.13 112.531 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.83 -102.46 0.16 Allowed Glycine 0 C--N 1.34 0.762 0 N-CA-C 111.066 -0.813 . . . . 61.41 111.066 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.2 1.86 81.71 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-N 116.791 0.295 . . . . 73.31 113.001 -172.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.0 m -153.1 157.99 41.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.115 1.366 . . . . 50.32 108.791 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -151.13 141.43 8.63 Favored Glycine 0 C--N 1.34 0.772 0 N-CA-C 111.311 -0.716 . . . . 40.44 111.311 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 81.7 mt -79.49 -72.73 0.38 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.751 0.821 . . . . 62.42 109.301 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -113.73 -0.28 14.31 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.593 0.757 . . . . 75.2 109.553 172.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -103.44 91.38 4.03 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.483 1.113 . . . . 73.01 108.865 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.1 mp -90.91 109.94 38.45 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 108.375 -0.972 . . . . 72.45 108.375 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.06 148.87 28.06 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.526 2.151 . . . . 61.15 111.511 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -54.57 -49.86 15.37 Favored 'Trans proline' 0 C--N 1.385 2.475 0 C-N-CA 123.28 2.653 . . . . 72.32 113.161 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -54.97 -55.24 32.99 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.717 0.636 . . . . 74.52 111.323 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.09 -32.17 72.69 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.122 0.889 . . . . 70.45 111.622 -170.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -75.63 -45.2 38.71 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.361 -0.381 . . . . 65.54 110.526 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.46 -23.11 66.22 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.412 0.685 . . . . 73.24 111.66 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -67.45 -42.99 82.19 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.308 1.043 . . . . 71.53 109.852 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 65.3 m -76.06 -14.63 60.2 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 114.739 -1.119 . . . . 32.1 111.829 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -76.38 78.9 3.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.203 0.601 . . . . 71.53 109.981 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 19.5 m -132.43 159.37 43.18 Favored 'Isoleucine or valine' 0 C--O 1.245 0.831 0 C-N-CA 124.594 1.158 . . . . 72.44 108.527 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.78 156.15 39.88 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 108.968 -0.752 . . . . 72.04 108.968 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -60.16 -47.24 97.28 Favored Pre-proline 0 CA--C 1.568 1.648 0 N-CA-C 113.337 0.866 . . . . 61.04 113.337 -171.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -53.95 -45.89 37.7 Favored 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 122.076 1.851 . . . . 73.04 112.925 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 17.6 m -62.1 -31.23 71.66 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.099 0.96 . . . . 51.52 111.476 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 tt -70.28 -43.54 70.24 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.327 1.051 . . . . 75.33 108.963 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.497 ' HE2' ' HE2' ' A' ' 89' ' ' PHE . 18.4 m-85 -63.43 -33.76 76.27 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.925 -0.579 . . . . 64.01 110.982 175.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.82 -36.54 84.65 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.548 0.739 . . . . 74.41 111.517 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.641 HD23 HG23 ' B' ' 50' ' ' ILE . 94.7 mt -66.79 -36.56 82.68 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.194 0.597 . . . . 73.41 110.688 174.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 64.0 mt -66.09 -43.8 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.241 0.617 . . . . 62.14 109.983 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.69 -47.33 86.73 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.014 0.926 . . . . 61.2 110.954 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.18 -36.38 79.51 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.978 0.911 . . . . 73.23 111.814 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.59 -33.08 66.49 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.336 0.654 . . . . 61.25 111.574 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -78.2 -36.05 47.82 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.781 0.833 . . . . 61.44 110.397 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -65.16 -39.67 93.28 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.107 0.963 . . . . 72.23 110.72 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.485 HD22 HG13 ' B' ' 27' ' ' ILE . 76.1 mt -95.76 -7.75 36.32 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.162 0.585 . . . . 72.45 111.751 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 24.0 t70 56.68 34.92 25.37 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 125.042 1.337 . . . . 73.14 111.418 175.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 51.8 mt -79.47 103.26 6.22 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 107.778 -1.193 . . . . 71.22 107.778 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -59.26 -49.31 93.42 Favored Pre-proline 0 CA--C 1.559 1.322 0 CA-C-O 117.966 -1.016 . . . . 71.31 112.612 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.95 -48.54 15.99 Favored 'Trans proline' 0 C--N 1.401 3.31 0 C-N-CA 121.868 1.712 . . . . 73.12 112.66 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.25 -47.29 83.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.896 0.478 . . . . 75.11 111.277 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.625 HD21 HD21 ' A' ' 104' ' ' LEU . 47.0 tp -62.96 -42.27 99.77 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.759 -0.655 . . . . 71.41 110.57 -177.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.83 -49.24 63.32 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.801 -0.636 . . . . 63.24 110.555 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 56.4 t -59.05 -45.64 92.28 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.309 0.643 . . . . 61.01 111.191 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 30.3 m -67.72 -35.89 79.6 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 123.05 0.54 . . . . 61.44 111.444 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 73.1 m -72.48 -30.72 64.78 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.95 0.5 . . . . 73.32 110.821 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -75.58 -30.89 59.77 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.034 0.534 . . . . 74.23 110.604 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 94.1 m -57.6 -53.41 58.47 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.234 0.614 . . . . 32.33 110.497 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 16.5 m -65.21 -35.44 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 115.569 -0.741 . . . . 73.02 111.108 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . 0.404 ' HB2' HD11 ' A' ' 93' ' ' LEU . . . -62.43 -40.34 96.26 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.522 0.729 . . . . 63.33 111.557 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -69.78 -37.81 76.48 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.78 0.432 . . . . 72.23 110.884 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.78 -40.95 75.72 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.378 0.424 . . . . 42.01 111.697 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.2 pt -78.5 -29.31 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 C-N-CA 122.717 0.407 . . . . 74.32 112.092 -177.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -90.94 -17.64 26.05 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.359 0.663 . . . . 71.02 111.552 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.964 0 CA-C-O 119.282 -0.732 . . . . 37.81 111.358 -178.555 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 120.814 0.34 . . . . 73.33 110.715 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.3 mt -94.54 125.78 39.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.801 0.84 . . . . 73.43 110.435 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m -81.25 126.12 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 109.615 -0.513 . . . . 73.22 109.615 171.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.59 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 92.6 mttt -86.49 100.92 12.71 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.915 0.886 . . . . 61.32 109.232 -176.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.8 mt -110.14 98.53 7.77 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.835 0.854 . . . . 73.35 109.655 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 42' ' ' PRO . 8.8 mp0 -75.5 150.6 38.15 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.011 0.434 . . . . 74.44 109.936 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.4 p -93.96 -178.69 4.73 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.315 -0.857 . . . . 65.24 110.682 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.6 t -63.5 -25.87 68.45 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.088 -0.96 . . . . 71.1 110.224 168.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.597 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 37.0 t70 -92.37 10.7 28.79 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.567 1.147 . . . . 70.34 110.74 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 74.03 -1.11 3.16 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 124.821 1.248 . . . . 53.4 113.048 166.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.506 ' HD2' ' HB2' ' A' ' 48' ' ' SER . 92.5 mttt -70.44 123.98 23.08 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 121.871 -0.518 . . . . 73.14 110.681 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.9 t -75.14 107.2 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 124.396 1.078 . . . . 71.03 110.183 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -99.29 92.5 5.46 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.631 0.729 . . . . 75.12 110.026 179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 32.9 mt-10 -82.61 94.5 7.54 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 114.572 -1.194 . . . . 71.32 109.349 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.617 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.9 tt -111.49 155.32 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.56 0.744 . . . . 74.32 109.544 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -56.83 129.14 40.09 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.739 0.816 . . . . 74.11 109.481 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.03 -38.01 78.27 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.941 0.896 . . . . 61.34 111.794 -174.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.32 -32.92 68.94 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.968 0.907 . . . . 70.25 112.016 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.548 HD13 ' HA ' ' A' ' 59' ' ' ARG . 50.2 mt -80.72 -39.86 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 123.775 0.83 . . . . 64.12 110.296 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB1' HG21 ' A' ' 27' ' ' ILE . . . -65.61 -20.89 66.49 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.318 0.647 . . . . 63.42 111.837 176.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -69.71 -23.89 63.49 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.421 0.688 . . . . 74.01 112.221 174.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.6 mtm -69.32 -31.65 70.26 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.716 0.293 . . . . 71.51 110.462 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 71.1 m -66.97 112.62 4.43 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.262 -1.014 . . . . 65.44 108.262 164.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 63.2 t -60.82 -33.86 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 O-C-N 123.706 0.629 . . . . 55.52 110.631 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.0 m -67.48 -51.24 53.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.053 0.541 . . . . 72.14 111.599 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.44 HG21 ' HB1' ' A' ' 21' ' ' ALA . 74.8 mt -65.5 -43.19 94.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 122.846 0.458 . . . . 71.24 109.997 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -57.66 -50.79 72.02 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.919 0.887 . . . . 61.22 110.749 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.26 -28.92 70.36 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.602 0.761 . . . . 73.21 111.594 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.1 mtt -68.49 -45.34 72.61 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.391 0.276 . . . . 63.01 110.666 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.0 -35.64 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 122.985 0.514 . . . . 62.31 110.237 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -77.35 -45.23 26.77 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 122.997 0.519 . . . . 71.52 112.212 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -79.02 -46.43 18.18 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 123.368 0.667 . . . . 71.32 111.875 -171.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -74.52 -34.96 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-O 121.472 0.653 . . . . 74.32 109.496 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.98 178.84 21.49 Favored Glycine 0 C--O 1.246 0.883 0 CA-C-N 115.113 -0.949 . . . . 45.24 111.44 -177.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.81 89.71 0.16 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.275 0.63 . . . . 75.11 109.824 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 m -94.08 115.0 27.26 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.209 -0.905 . . . . 62.25 109.474 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.38 -19.77 57.82 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.402 0.681 . . . . 64.44 110.623 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.2 m -65.25 144.02 98.92 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.54 0.736 . . . . 44.22 110.455 173.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 82.1 Cg_endo -73.94 149.48 42.12 Favored 'Trans proline' 0 C--N 1.372 1.778 0 C-N-CA 122.579 2.186 . . . . 63.32 111.521 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.29 102.66 34.33 Favored Pre-proline 0 CA--C 1.553 1.068 0 N-CA-C 109.192 -0.67 . . . . 74.34 109.192 -175.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 95.5 Cg_endo -84.66 111.17 1.46 Allowed 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.506 2.137 . . . . 54.13 112.371 174.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -87.08 101.79 2.53 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 123.819 0.848 . . . . 71.44 108.919 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -84.37 11.86 3.22 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 123.031 2.487 . . . . 64.54 113.352 -174.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -99.57 -57.44 2.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.647 0.779 . . . . 71.31 110.825 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.9 131.0 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 122.892 0.477 . . . . 63.13 110.641 -175.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.9 p -72.1 167.88 19.32 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.917 0.887 . . . . 63.32 111.819 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.597 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 72.3 p -68.5 -47.53 66.75 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.125 0.57 . . . . 74.3 112.355 -173.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.4 p -56.37 -47.28 79.2 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.249 0.968 . . . . 74.44 111.008 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.502 HG23 HD23 ' A' ' 91' ' ' LEU . 47.1 mm -75.49 -43.47 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.073 -0.967 . . . . 71.11 110.766 -174.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.4 tp -62.1 -41.19 97.96 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.493 0.496 . . . . 71.4 110.788 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.58 -47.14 86.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.455 0.702 . . . . 70.34 110.455 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.495 ' HE2' HG11 ' A' ' 83' ' ' VAL . 29.7 mtpp -60.56 -51.64 68.56 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 114.67 -1.15 . . . . 72.05 111.198 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.2 t -66.32 -35.62 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 C-N-CA 123.165 0.586 . . . . 75.35 111.208 -174.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.617 ' HB3' HD12 ' A' ' 16' ' ' ILE . 53.2 mt -70.5 -40.04 73.77 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.102 0.561 . . . . 74.12 111.167 177.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -73.34 -32.34 64.5 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.742 0.417 . . . . 74.53 110.278 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -60.92 -51.57 68.71 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.178 -0.675 . . . . 72.11 109.178 171.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.64 ' SG ' HD13 ' A' ' 100' ' ' ILE . 94.4 m -59.22 -31.57 69.17 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 114.877 -1.056 . . . . 43.15 111.032 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.548 ' HA ' HD13 ' A' ' 20' ' ' ILE . 14.2 ttp180 -61.51 -48.52 80.68 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 122.428 0.291 . . . . 72.41 110.638 174.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -63.02 -40.35 97.48 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.76 0.424 . . . . 51.23 111.091 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -70.57 -24.8 62.84 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.832 0.853 . . . . 64.32 111.485 -178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -80.57 -38.53 29.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.907 0.483 . . . . 73.25 110.033 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 13.0 mm100 -71.17 -30.34 66.32 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.773 0.671 . . . . 60.31 110.878 178.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -127.3 84.43 63.43 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 108.231 -1.026 . . . . 73.41 108.231 174.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -66.27 95.48 0.32 Allowed 'Trans proline' 0 C--N 1.381 2.274 0 C-N-CA 123.076 2.517 . . . . 73.01 111.746 -179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.61 157.91 30.5 Favored Glycine 0 C--N 1.336 0.567 0 CA-C-N 115.651 -0.704 . . . . 52.34 111.663 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -167.3 -110.95 0.24 Allowed Glycine 0 C--N 1.336 0.539 0 N-CA-C 110.659 -0.977 . . . . 72.21 110.659 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.6 m 61.85 8.97 2.69 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 124.571 1.148 . . . . 71.33 113.582 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.05 41.62 85.6 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.333 0.395 . . . . 53.43 112.975 -172.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.66 144.41 57.24 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.023 0.529 . . . . 73.4 110.094 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -73.42 78.38 1.39 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 121.988 0.899 . . . . 73.23 110.094 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.458 ' H ' HD12 ' A' ' 73' ' ' ILE . 30.5 t70 -146.27 -62.43 0.31 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 114.347 -1.297 . . . . 75.13 108.388 176.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.458 HD12 ' H ' ' A' ' 72' ' ' ASP . 3.4 mp 47.75 87.9 0.11 Allowed Pre-proline 0 CA--C 1.561 1.404 0 C-N-CA 125.131 1.372 . . . . 73.02 110.11 -177.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.89 146.24 87.38 Favored 'Trans proline' 0 C--N 1.373 1.867 0 C-N-CA 122.786 2.324 . . . . 71.45 112.246 -173.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -46.05 -37.5 17.72 Favored 'Trans proline' 0 C--N 1.382 2.297 0 C-N-CA 124.198 3.265 . . . . 71.15 114.834 -176.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -57.79 -56.46 21.71 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.565 0.541 . . . . 74.02 110.574 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.11 -27.01 62.35 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.472 1.109 . . . . 73.34 110.536 -171.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -68.61 -51.38 43.02 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.187 -0.915 . . . . 72.02 109.988 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -76.25 -22.91 54.59 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.448 0.699 . . . . 70.34 111.678 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.443 ' HE2' HD21 ' A' ' 103' ' ' LEU . 57.5 t80 -60.53 -48.53 81.38 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.877 0.871 . . . . 71.53 110.564 175.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 83.6 m -75.44 -11.12 59.97 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 114.851 -1.068 . . . . 63.2 111.657 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -77.75 83.24 4.11 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 109.212 -0.662 . . . . 73.42 109.212 172.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.495 HG11 ' HE2' ' A' ' 53' ' ' LYS . 17.2 m -131.74 173.56 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.446 1.098 . . . . 72.21 109.096 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -64.23 159.95 19.62 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 123.31 0.644 . . . . 72.24 109.678 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 59.7 tp60 -60.27 -49.9 88.44 Favored Pre-proline 0 CA--C 1.567 1.618 0 CA-C-O 118.444 -0.788 . . . . 75.4 112.616 -172.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.448 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 46.8 Cg_exo -60.65 -33.66 93.11 Favored 'Trans proline' 0 C--N 1.386 2.543 0 C-N-CA 121.837 1.691 . . . . 53.52 113.134 171.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 m -67.92 -30.34 69.64 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 123.789 0.835 . . . . 65.51 111.427 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 85' ' ' GLN . 65.1 mt -57.89 -47.43 82.79 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.642 0.777 . . . . 41.13 110.38 170.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -67.9 -30.16 69.44 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.298 -0.865 . . . . 74.44 111.237 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.432 ' HB3' HG13 ' A' ' 50' ' ' ILE . 23.2 mm-40 -64.05 -40.74 96.96 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.123 0.569 . . . . 73.42 111.172 174.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.502 HD23 HG23 ' A' ' 50' ' ' ILE . 95.4 mt -66.05 -35.85 81.65 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.292 0.637 . . . . 75.53 110.488 176.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.97 -40.93 86.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 C-N-CA 123.827 0.851 . . . . 74.2 110.384 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.0 mt -64.43 -45.66 86.55 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.64 0.776 . . . . 73.25 110.608 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.42 77.25 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.787 0.835 . . . . 62.25 111.764 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.519 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -70.01 -37.64 75.72 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.202 0.601 . . . . 73.22 111.496 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.44 -35.54 68.32 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.395 0.678 . . . . 72.43 110.189 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -70.25 -39.7 74.86 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.975 0.91 . . . . 61.52 111.57 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.8 mt -99.0 -2.44 37.31 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.428 0.691 . . . . 65.45 111.636 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.404 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 23.3 t0 54.81 40.49 31.98 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.414 1.486 . . . . 73.32 111.758 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.64 HD13 ' SG ' ' A' ' 58' ' ' CYS . 38.1 mt -86.86 86.46 2.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 108.152 -1.055 . . . . 61.1 108.152 173.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -60.59 -38.82 60.99 Favored Pre-proline 0 CA--C 1.559 1.296 0 CA-C-N 114.645 -1.161 . . . . 74.44 112.324 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -47.49 -56.12 3.35 Favored 'Trans proline' 0 C--N 1.4 3.283 0 C-N-CA 122.55 2.166 . . . . 72.13 114.165 170.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.5 tm? -67.94 -41.55 82.37 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.513 0.508 . . . . 64.51 109.871 -176.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.436 ' HB2' ' HB1' ' A' ' 95' ' ' ALA . 44.9 tp -58.98 -44.43 91.58 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.078 0.862 . . . . 70.22 110.723 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.83 -43.57 75.26 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.724 0.809 . . . . 74.1 110.973 -175.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.99 -36.33 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 123.102 0.561 . . . . 52.13 111.283 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.2 m -70.13 -37.86 75.39 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 109.97 -0.382 . . . . 61.25 109.97 175.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.0 m -68.72 -30.13 68.71 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.437 0.695 . . . . 75.02 110.816 175.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.11 -48.31 62.87 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.484 -0.562 . . . . 74.24 109.484 174.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.7 m -58.33 -51.81 68.24 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.634 0.774 . . . . 73.32 111.574 -177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.5 m -64.64 -33.79 65.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 123.448 0.468 . . . . 74.22 110.835 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.73 -39.04 84.3 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.553 0.533 . . . . 75.25 110.659 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -70.05 -26.21 63.91 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.963 0.505 . . . . 74.03 111.533 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.424 ' HE2' ' HB2' ' A' ' 114' ' ' MET . 42.0 mtm -74.61 -49.33 22.02 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 110.025 -0.361 . . . . 73.41 110.025 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' B' ' 86' ' ' PRO . 16.6 pt -78.0 -30.44 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.174 0.59 . . . . 63.44 111.909 -174.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -88.89 -14.11 37.56 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.507 0.723 . . . . 73.34 110.721 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.278 0 CA-C-O 119.244 -0.754 . . . . 72.4 113.182 179.418 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.714 0.292 . . . . 74.13 111.011 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 82.3 mt -94.81 124.28 38.76 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.949 0.9 . . . . 75.3 110.474 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m -79.65 125.71 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 109.653 -0.499 . . . . 64.21 109.653 171.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.578 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 92.4 mttt -86.23 101.0 12.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.86 0.864 . . . . 70.42 109.111 -176.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 70.3 mt -110.11 98.53 7.78 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.738 0.815 . . . . 73.32 109.485 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 42' ' ' PRO . 7.9 mp0 -75.5 149.72 38.36 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 121.0 0.429 . . . . 75.03 109.969 179.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.1 p -92.8 -179.0 5.01 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 115.43 -0.804 . . . . 74.55 110.746 175.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -61.65 -28.36 69.33 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.09 -0.959 . . . . 73.03 110.115 168.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.597 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 35.5 t70 -91.33 10.28 28.06 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 124.462 1.105 . . . . 75.53 110.733 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 75.42 -1.26 3.07 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.896 1.278 . . . . 65.32 113.105 166.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.51 ' HD2' ' HB2' ' B' ' 48' ' ' SER . 93.4 mttt -70.5 124.22 23.68 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.852 -0.53 . . . . 73.22 110.575 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.04 109.33 7.87 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.881 0 C-N-CA 124.059 0.944 . . . . 63.44 109.945 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -100.71 92.29 5.02 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.733 0.778 . . . . 64.1 110.009 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.578 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.9 mt-10 -82.53 93.32 7.26 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 114.43 -1.259 . . . . 74.53 109.602 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.612 HD12 ' HB3' ' B' ' 55' ' ' LEU . 12.4 tt -110.97 155.68 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.631 0.772 . . . . 64.13 109.442 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -57.44 129.03 40.0 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 123.722 0.809 . . . . 73.51 109.333 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.7 -37.76 76.81 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 124.257 0.973 . . . . 73.51 111.865 -174.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.75 -32.14 68.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.261 1.024 . . . . 74.22 112.074 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.556 HD13 ' HA ' ' B' ' 59' ' ' ARG . 50.0 mt -81.11 -39.73 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.858 0.863 . . . . 71.45 110.3 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.439 ' HB1' HG21 ' B' ' 27' ' ' ILE . . . -65.75 -21.07 66.49 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.722 -0.672 . . . . 75.05 111.909 176.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 73.3 m -69.74 -24.53 63.56 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.493 0.717 . . . . 64.33 111.931 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 15.1 mtm -68.46 -32.0 71.7 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 122.505 0.322 . . . . 63.04 110.523 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 69.7 m -67.15 112.23 4.34 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.111 -1.07 . . . . 65.43 108.111 165.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 67.6 t -60.49 -33.66 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 123.788 0.68 . . . . 64.44 110.53 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 94.3 m -67.75 -51.53 48.0 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.031 0.532 . . . . 74.42 111.685 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.439 HG21 ' HB1' ' B' ' 21' ' ' ALA . 75.2 mt -65.18 -42.73 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.918 0.487 . . . . 72.34 110.118 -178.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -58.08 -50.5 73.25 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.944 0.898 . . . . 73.14 110.713 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -63.75 -28.48 69.91 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.642 0.777 . . . . 74.22 111.651 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.1 mtt -68.84 -45.75 70.32 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 122.489 0.316 . . . . 72.1 110.641 174.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.32 -35.8 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 122.933 0.493 . . . . 73.15 110.442 179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -77.1 -46.42 23.64 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.271 0.628 . . . . 73.34 111.944 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -78.31 -46.27 20.55 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.09 0.556 . . . . 71.11 111.729 -170.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -74.53 -34.71 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 123.334 0.654 . . . . 64.42 109.713 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.9 177.79 21.06 Favored Glycine 0 C--N 1.34 0.8 0 CA-C-N 115.38 -0.827 . . . . 43.5 111.071 -177.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -67.12 89.83 0.19 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.405 0.682 . . . . 74.01 109.499 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 27.1 m -93.66 114.17 26.43 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.214 -0.903 . . . . 43.14 109.648 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -76.55 -18.58 58.61 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.35 0.66 . . . . 72.23 110.609 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.5 m -66.89 144.36 98.5 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 123.634 0.774 . . . . 72.31 109.972 173.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.404 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 86.1 Cg_endo -74.18 149.96 41.69 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.626 2.218 . . . . 70.34 111.644 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -104.55 102.74 35.88 Favored Pre-proline 0 CA--C 1.553 1.073 0 N-CA-C 109.132 -0.692 . . . . 45.3 109.132 -175.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' B' ' 7' ' ' GLU . 94.0 Cg_endo -85.1 109.07 1.19 Allowed 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.478 2.119 . . . . 73.44 112.565 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -84.89 102.53 2.36 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 123.615 0.766 . . . . 73.03 109.026 173.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -84.9 11.52 3.35 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.93 2.42 . . . . 62.33 113.471 -174.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -98.72 -60.22 1.58 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.674 0.79 . . . . 73.51 110.675 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.27 131.04 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 122.821 0.448 . . . . 62.23 110.781 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 38.4 p -72.66 168.21 19.17 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.0 0.92 . . . . 72.22 111.858 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.597 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.7 p -69.46 -47.28 64.45 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.399 0.518 . . . . 73.31 112.399 -172.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 55.5 p -56.98 -46.54 82.15 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.097 0.873 . . . . 74.01 110.704 -178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.507 HG23 HD23 ' B' ' 91' ' ' LEU . 46.2 mm -75.62 -43.85 40.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.101 -0.954 . . . . 75.34 110.754 -174.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 38.5 tp -62.02 -41.33 97.98 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 123.548 0.53 . . . . 45.23 110.704 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.57 -46.84 88.17 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.591 0.756 . . . . 73.23 110.349 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.469 ' HE2' HG11 ' B' ' 83' ' ' VAL . 29.1 mtpp -60.86 -51.34 69.7 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 114.645 -1.161 . . . . 72.24 111.335 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.0 t -66.59 -35.52 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 C-N-CA 123.19 0.596 . . . . 71.3 111.098 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.612 ' HB3' HD12 ' B' ' 16' ' ' ILE . 55.1 mt -70.21 -40.14 74.73 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.01 0.524 . . . . 74.44 111.393 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.75 -31.38 63.31 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.897 0.479 . . . . 71.33 110.486 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -61.48 -52.11 65.89 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 109.136 -0.69 . . . . 60.43 109.136 170.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.653 ' SG ' HD13 ' B' ' 100' ' ' ILE . 89.5 m -58.74 -31.54 68.4 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 114.865 -1.061 . . . . 52.33 111.109 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.556 ' HA ' HD13 ' B' ' 20' ' ' ILE . 14.2 ttp180 -61.65 -48.48 80.65 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.444 0.298 . . . . 74.4 110.807 174.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -63.1 -40.3 97.24 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.678 0.391 . . . . 44.01 111.014 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -71.06 -24.97 62.44 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.816 0.846 . . . . 51.5 111.389 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -79.83 -39.12 31.38 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.74 0.416 . . . . 73.41 109.903 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 13.5 mm100 -70.38 -32.97 70.87 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 124.01 0.819 . . . . 65.14 110.519 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -124.34 85.03 55.86 Favored Pre-proline 0 N--CA 1.474 0.74 0 N-CA-C 108.307 -0.998 . . . . 61.1 108.307 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.85 95.73 0.36 Allowed 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.919 2.413 . . . . 63.31 111.816 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.11 159.68 33.12 Favored Glycine 0 CA--C 1.522 0.512 0 CA-C-N 115.696 -0.684 . . . . 71.24 111.751 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.39 -109.23 0.22 Allowed Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.868 -0.893 . . . . 70.22 110.868 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 52.6 m 60.23 9.15 1.79 Allowed 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 125.034 1.333 . . . . 65.01 113.332 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.2 41.26 86.06 Favored Glycine 0 C--N 1.353 1.522 0 CA-C-O 119.988 -0.34 . . . . 54.35 112.915 -171.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.65 143.59 57.71 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.956 0.503 . . . . 74.24 110.347 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.09 79.31 0.94 Allowed 'General case' 0 CA--C 1.547 0.833 0 CA-C-O 121.926 0.869 . . . . 73.04 109.91 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.484 ' H ' HD12 ' B' ' 73' ' ' ILE . 32.4 t70 -146.08 -63.38 0.32 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-N 114.35 -1.296 . . . . 74.55 107.821 175.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.484 HD12 ' H ' ' B' ' 72' ' ' ASP . 3.4 mp 48.88 87.7 0.12 Allowed Pre-proline 0 CA--C 1.558 1.25 0 C-N-CA 125.133 1.373 . . . . 60.32 110.231 -177.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -58.24 146.05 90.54 Favored 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 122.717 2.278 . . . . 72.32 112.381 -173.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -47.37 -35.5 21.22 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 124.178 3.252 . . . . 63.01 114.661 -176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -58.59 -57.03 14.75 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.408 0.442 . . . . 74.13 110.508 174.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.97 -26.45 62.26 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.651 1.18 . . . . 72.34 110.506 -171.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -69.1 -52.05 32.36 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.186 -0.916 . . . . 62.24 109.723 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -75.21 -23.25 57.59 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.303 0.641 . . . . 74.43 111.618 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.45 ' HE2' HD21 ' B' ' 103' ' ' LEU . 58.4 t80 -60.27 -48.33 82.18 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.903 0.881 . . . . 74.21 110.698 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 86.3 m -75.82 -11.4 59.97 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 114.851 -1.068 . . . . 61.42 111.799 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -78.02 83.5 4.32 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 108.895 -0.78 . . . . 73.05 108.895 172.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.469 HG11 ' HE2' ' B' ' 53' ' ' LYS . 17.0 m -131.51 174.81 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.446 1.098 . . . . 72.54 109.138 176.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.3 159.29 24.21 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.349 0.66 . . . . 62.25 109.592 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.444 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 60.9 tp60 -60.0 -49.41 91.29 Favored Pre-proline 0 CA--C 1.566 1.58 0 CA-C-O 118.558 -0.734 . . . . 72.01 112.626 -172.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.46 ' HA ' HD12 ' A' ' 115' ' ' ILE . 51.8 Cg_exo -60.3 -33.7 94.29 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 121.936 1.758 . . . . 73.12 113.698 171.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 6.4 m -68.07 -30.37 69.56 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 123.733 0.813 . . . . 74.32 111.427 -176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.42 HD13 HG12 ' B' ' 111' ' ' VAL . 67.3 mt -58.03 -47.61 82.56 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.526 0.73 . . . . 75.12 110.262 171.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -67.27 -29.89 69.62 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.178 -0.919 . . . . 71.43 111.544 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.442 ' HB3' HG13 ' B' ' 50' ' ' ILE . 16.3 mm-40 -63.84 -41.25 97.86 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.042 0.537 . . . . 73.1 111.209 174.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.507 HD23 HG23 ' B' ' 50' ' ' ILE . 95.0 mt -66.02 -35.78 81.49 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.832 -0.622 . . . . 64.4 110.216 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 81.2 mt -67.07 -40.97 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 123.723 0.809 . . . . 63.01 110.524 175.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.31 -46.19 84.65 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.612 0.765 . . . . 63.25 110.673 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.04 -35.42 78.24 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.71 0.804 . . . . 73.44 111.728 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.506 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -70.16 -37.32 75.17 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.231 0.613 . . . . 62.41 111.601 178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -72.73 -35.95 67.65 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.496 0.719 . . . . 61.53 110.163 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -70.0 -39.83 75.65 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.021 0.928 . . . . 73.21 111.548 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 94.0 mt -98.87 -2.92 36.53 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.398 0.679 . . . . 74.23 111.523 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 22.8 t0 55.07 40.89 32.07 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.457 1.503 . . . . 75.53 111.742 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.653 HD13 ' SG ' ' B' ' 58' ' ' CYS . 37.5 mt -87.06 86.79 2.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 108.104 -1.073 . . . . 73.22 108.104 173.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -60.5 -38.77 60.93 Favored Pre-proline 0 CA--C 1.56 1.345 0 CA-C-N 114.581 -1.19 . . . . 33.43 112.447 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -47.34 -56.38 3.11 Favored 'Trans proline' 0 C--N 1.401 3.332 0 C-N-CA 122.655 2.236 . . . . 61.31 114.152 170.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.5 tm? -67.93 -41.58 82.34 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.036 -0.529 . . . . 73.22 109.781 -176.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.437 ' HB2' ' HB1' ' B' ' 95' ' ' ALA . 45.2 tp -58.89 -44.21 91.11 Favored 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.086 0.866 . . . . 73.12 110.744 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -69.16 -43.84 73.48 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.747 0.819 . . . . 70.2 110.808 -175.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.73 -36.01 68.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.053 0.541 . . . . 75.32 111.429 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 61.5 m -70.52 -37.83 74.17 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.67 0.388 . . . . 64.1 109.999 175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 93.2 m -68.57 -30.16 68.87 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.436 0.694 . . . . 64.43 110.853 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.56 -47.92 62.04 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.603 -0.517 . . . . 74.14 109.603 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . 0.405 ' O ' ' HG3' ' B' ' 114' ' ' MET . 89.9 m -58.36 -51.56 69.29 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 123.838 0.711 . . . . 34.23 111.728 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.42 HG12 HD13 ' B' ' 88' ' ' LEU . 35.1 m -64.77 -33.5 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 O-C-N 123.514 0.509 . . . . 74.13 110.942 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.17 -40.33 86.57 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 123.646 0.591 . . . . 74.43 110.609 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -69.28 -25.7 64.38 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.266 0.626 . . . . 71.04 111.855 -176.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . 0.421 ' HE2' ' HB2' ' B' ' 114' ' ' MET . 41.3 mtm -75.26 -48.77 21.73 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.53 0.332 . . . . 60.25 110.302 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 19.0 pt -77.87 -31.83 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 116.013 -0.54 . . . . 71.12 111.729 -174.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -88.17 -15.58 35.67 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.41 0.684 . . . . 73.54 110.941 177.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.185 0 CA-C-O 119.05 -0.861 . . . . 71.44 113.218 -177.788 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 121.023 0.44 . . . . 73.02 110.756 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.3 mt -102.3 141.64 34.8 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.621 0.768 . . . . 73.24 109.025 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 m -107.99 138.11 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.951 0.901 . . . . 64.52 108.947 172.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.583 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 58.4 mttp -93.84 118.48 31.5 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.998 0.919 . . . . 72.24 110.101 -175.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -118.11 103.42 9.86 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.542 -0.91 . . . . 72.54 108.542 174.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' A' ' 13' ' ' VAL . 3.1 mp0 -70.74 143.65 51.2 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.08 -0.711 . . . . 74.23 109.08 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.7 p -88.77 174.05 8.21 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.159 -0.682 . . . . 62.24 109.159 171.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -62.22 -23.36 66.6 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.431 0.693 . . . . 74.33 110.33 170.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.541 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 23.0 t70 -86.61 6.47 30.77 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 125.081 1.352 . . . . 74.05 111.35 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 73.03 5.74 5.21 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.102 1.361 . . . . 74.3 113.668 174.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -84.25 123.82 30.54 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.52 0.328 . . . . 64.22 110.163 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.563 HG22 ' HG3' ' A' ' 7' ' ' GLU . 59.4 t -81.7 116.84 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.321 1.048 . . . . 44.31 109.627 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -106.01 101.49 10.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.551 0.741 . . . . 75.51 110.167 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.583 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 35.8 mt-10 -90.13 93.89 9.56 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 115.146 -0.933 . . . . 73.02 109.39 -179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.669 HD12 ' HB3' ' A' ' 55' ' ' LEU . 8.4 tt -99.22 156.97 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.652 0.781 . . . . 74.12 109.044 177.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.92 132.56 54.34 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.477 0.711 . . . . 74.41 109.63 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -61.11 -32.61 72.29 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.506 1.122 . . . . 72.41 111.983 -172.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.07 -34.58 77.96 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 123.131 0.572 . . . . 74.4 111.641 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 59' ' ' ARG . 33.6 mt -81.08 -29.93 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.444 0.698 . . . . 71.32 110.322 -177.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.16 -20.71 65.65 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.464 0.706 . . . . 63.04 111.877 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 55.9 m -69.15 -23.34 63.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.793 0.837 . . . . 54.44 112.172 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.661 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 84.0 mtp -66.13 -33.85 76.71 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.187 0.595 . . . . 55.02 111.142 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.57 ' HA ' HG12 ' A' ' 100' ' ' ILE . 35.6 t -73.87 111.6 9.18 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.638 -1.245 . . . . 61.35 107.638 168.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.91 -43.64 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 123.727 0.642 . . . . 74.41 110.768 -176.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 90.3 m -61.63 -52.08 65.85 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.278 0.631 . . . . 42.04 112.1 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.15 -45.1 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 122.877 0.471 . . . . 75.31 110.101 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 ttpp -56.22 -53.31 58.66 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.163 0.985 . . . . 72.44 110.806 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.05 -38.62 83.35 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 123.949 0.78 . . . . 71.13 111.245 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.7 mtm -68.58 -39.61 80.9 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.509 0.505 . . . . 73.55 111.31 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.83 -41.74 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.632 -0.507 . . . . 71.2 109.632 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -72.07 -32.22 66.85 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.935 0.894 . . . . 70.42 111.656 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.94 -37.28 78.79 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.236 1.014 . . . . 73.13 110.32 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.3 mt -80.36 -28.17 11.89 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 CA-C-N 115.24 -0.891 . . . . 41.33 109.964 174.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 -63.09 0.37 Allowed Glycine 0 C--N 1.343 0.935 0 N-CA-C 109.822 -1.311 . . . . 71.23 109.822 -177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -163.79 99.08 0.88 Allowed 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 107.543 -1.28 . . . . 74.23 107.543 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.1 t -79.64 103.67 9.71 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 122.77 0.428 . . . . 32.44 110.098 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -74.17 -27.77 60.98 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.593 0.757 . . . . 73.31 109.383 169.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.0 m -71.1 149.19 94.55 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-N 114.551 -1.204 . . . . 75.25 110.546 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.471 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 74.1 Cg_endo -70.76 144.81 49.68 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.657 2.238 . . . . 75.13 112.391 178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.22 102.12 45.04 Favored Pre-proline 0 CA--C 1.55 0.971 0 N-CA-C 108.375 -0.972 . . . . 63.0 108.375 177.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.98 120.05 6.76 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.818 2.345 . . . . 74.3 111.161 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.493 HD13 HD21 ' A' ' 98' ' ' LEU . 67.5 mt -99.55 93.36 2.27 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 124.825 1.25 . . . . 63.41 109.141 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -83.83 -1.09 9.91 Favored 'Trans proline' 0 C--N 1.378 2.089 0 C-N-CA 122.945 2.43 . . . . 64.2 114.373 -170.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -89.23 -40.11 13.07 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.016 0.436 . . . . 75.52 110.373 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG11 HD13 ' A' ' 51' ' ' LEU . 12.1 p -90.79 136.42 24.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 C-N-CA 122.959 0.504 . . . . 62.32 110.269 -174.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.9 p -81.54 166.26 20.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.631 0.772 . . . . 61.32 110.218 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.541 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 63.7 p -66.83 -44.13 81.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.088 0.555 . . . . 74.31 112.133 -171.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.6 m -57.38 -40.9 79.16 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 124.243 0.964 . . . . 53.35 110.958 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.612 HG23 HD23 ' A' ' 91' ' ' LEU . 49.6 mm -78.22 -44.12 27.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.262 -0.881 . . . . 53.4 110.778 -176.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.429 HD13 HG11 ' A' ' 46' ' ' VAL . 29.0 tp -64.14 -37.03 85.97 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 109.977 -0.379 . . . . 65.4 109.977 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -57.32 -54.88 41.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.509 1.123 . . . . 65.31 111.325 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.81 -31.23 51.6 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.881 -1.054 . . . . 74.33 111.72 -170.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.12 -44.75 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 123.553 0.741 . . . . 72.04 110.082 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.669 ' HB3' HD12 ' A' ' 16' ' ' ILE . 66.2 mt -65.31 -36.39 83.9 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 123.515 0.51 . . . . 72.41 110.901 177.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -75.37 -32.15 60.73 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.158 0.583 . . . . 73.41 111.585 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -64.37 -48.23 76.27 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.037 -0.727 . . . . 65.35 109.037 173.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 80.9 m -60.51 -33.88 73.29 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 115.127 -0.942 . . . . 61.33 110.569 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.512 ' HA ' HD13 ' A' ' 20' ' ' ILE . 40.1 ttm105 -58.44 -52.44 65.62 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 123.191 0.596 . . . . 74.34 110.586 175.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -61.23 -41.55 97.07 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.695 0.622 . . . . 61.32 111.359 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -73.11 -22.87 60.47 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.23 0.612 . . . . 74.22 110.627 -176.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.661 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 39.9 t60 -76.9 -45.4 28.17 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.793 0.837 . . . . 73.11 110.084 176.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -69.4 -37.0 77.3 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.175 0.99 . . . . 75.23 110.501 -178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -124.36 88.81 52.72 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 123.83 0.852 . . . . 75.31 109.011 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -63.16 -20.33 70.73 Favored 'Trans proline' 0 C--N 1.381 2.28 0 C-N-CA 123.473 2.782 . . . . 70.34 112.93 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.07 -4.2 58.61 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-N 116.093 -0.503 . . . . 44.32 113.195 175.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.87 78.16 0.39 Allowed Glycine 0 C--N 1.357 1.714 0 N-CA-C 112.228 -0.349 . . . . 52.41 112.228 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.4 m -84.71 -5.9 59.34 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.721 0.808 . . . . 75.54 111.665 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.34 -84.02 0.97 Allowed Glycine 0 C--N 1.347 1.153 0 N-CA-C 111.759 -0.536 . . . . 61.32 111.759 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 54.3 tp -76.85 86.04 3.42 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 123.448 0.699 . . . . 72.14 109.917 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.0 t70 172.09 -58.87 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.942 1.697 . . . . 73.43 107.021 177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -128.41 109.63 11.59 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 113.496 -1.684 . . . . 71.31 106.715 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.3 mm -84.7 109.94 23.87 Favored Pre-proline 0 CA--C 1.548 0.88 0 N-CA-C 109.614 -0.513 . . . . 74.15 109.614 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.44 153.52 35.17 Favored 'Trans proline' 0 C--N 1.381 2.275 0 C-N-CA 123.008 2.472 . . . . 61.21 111.319 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -59.73 -61.21 0.23 Allowed 'Trans proline' 0 C--N 1.381 2.287 0 C-N-CA 122.851 2.367 . . . . 64.35 113.082 -173.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -60.43 -42.17 95.52 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.383 0.673 . . . . 74.33 111.144 -177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -28.7 67.54 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.69 0.796 . . . . 54.44 111.296 -173.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HG2' ' HE3' ' A' ' 82' ' ' LYS . 67.9 ttt180 -70.85 -45.19 64.92 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.988 0.515 . . . . 73.33 109.614 173.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -69.42 -23.52 63.71 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 115.56 -0.746 . . . . 74.21 111.308 179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -65.1 -41.12 95.25 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.231 1.012 . . . . 72.13 110.25 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 60.2 m -70.21 -24.36 63.09 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 115.486 -0.779 . . . . 74.45 110.978 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.403 ' HE3' ' HG2' ' A' ' 78' ' ' ARG . 90.8 mttt -76.77 86.16 3.38 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 123.151 0.58 . . . . 72.01 109.712 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.1 m -132.49 162.95 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.883 0.873 . . . . 72.43 110.381 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -69.25 161.04 30.07 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 123.965 0.906 . . . . 64.3 109.069 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -57.91 -48.48 97.05 Favored Pre-proline 0 CA--C 1.572 1.798 0 CA-C-O 118.299 -0.857 . . . . 72.13 112.799 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.99 -40.0 22.23 Favored 'Trans proline' 0 C--N 1.397 3.123 0 C-N-CA 121.67 1.58 . . . . 72.41 111.917 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.4 m -63.21 -29.85 71.11 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.682 1.193 . . . . 63.23 111.513 -177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.49 -45.06 76.97 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.058 0.943 . . . . 72.34 109.471 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.471 ' HD2' HD13 ' B' ' 115' ' ' ILE . 22.1 m-85 -70.98 -30.07 66.23 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.559 -0.746 . . . . 72.53 110.94 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.542 ' HB3' HG13 ' A' ' 50' ' ' ILE . 21.0 mm-40 -60.62 -38.84 86.08 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.442 0.697 . . . . 74.44 110.871 171.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.612 HD23 HG23 ' A' ' 50' ' ' ILE . 82.7 mt -64.62 -38.43 90.99 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.273 0.629 . . . . 65.12 110.995 175.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.447 HG22 ' SG ' ' B' ' 108' ' ' CYS . 39.2 mt -67.23 -41.33 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 123.169 0.588 . . . . 72.13 110.191 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.88 -39.59 94.56 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.692 0.797 . . . . 73.25 110.837 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.98 -35.27 62.06 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.517 0.727 . . . . 43.01 111.634 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.535 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.3 -29.19 63.62 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.272 0.629 . . . . 75.32 111.245 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -75.95 -49.35 17.98 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.003 0.921 . . . . 73.53 109.621 172.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.411 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 65.7 t80 -60.15 -41.07 91.96 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.478 1.111 . . . . 70.23 112.212 -176.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.493 HD21 HD13 ' A' ' 43' ' ' LEU . 88.3 mt -94.83 -12.33 27.19 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.859 0.864 . . . . 75.44 111.148 -178.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.2 t70 50.32 73.91 0.25 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.215 1.406 . . . . 55.43 111.231 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.57 HG12 ' HA ' ' A' ' 24' ' ' SER . 34.4 mt -119.32 108.61 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 108.224 -1.028 . . . . 72.11 108.224 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -58.41 -48.22 97.36 Favored Pre-proline 0 CA--C 1.565 1.537 0 CA-C-O 117.847 -1.073 . . . . 75.42 112.816 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -55.29 -45.2 42.03 Favored 'Trans proline' 0 C--N 1.402 3.363 0 C-N-CA 122.257 1.971 . . . . 72.3 113.379 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.535 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -65.72 -52.71 49.05 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.276 0.63 . . . . 74.52 109.326 -176.384 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.34 -48.15 83.0 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 124.421 1.076 . . . . 64.55 110.803 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.85 -50.81 69.45 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.243 0.964 . . . . 64.34 110.973 -175.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.14 -43.93 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 123.46 0.704 . . . . 73.12 111.075 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.3 m -71.82 -31.73 66.83 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 123.411 0.684 . . . . 73.53 111.473 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.47 ' SG ' HG22 ' B' ' 92' ' ' ILE . 71.1 m -73.22 -31.63 64.27 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.513 0.725 . . . . 64.21 110.316 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.77 -31.28 61.73 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.384 0.674 . . . . 51.21 110.239 175.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.405 ' O ' ' HG3' ' A' ' 114' ' ' MET . 48.2 m -60.51 -52.41 65.29 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.967 0.507 . . . . 75.42 110.729 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.88 -33.62 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 122.837 0.455 . . . . 72.11 111.488 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.83 78.74 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.251 0.62 . . . . 75.1 110.965 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -72.99 -31.71 64.68 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.474 0.71 . . . . 52.3 111.205 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 110' ' ' THR . 50.9 mtm -66.1 -39.4 89.95 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 123.316 0.385 . . . . 71.12 110.795 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.498 HD13 ' HD2' ' B' ' 89' ' ' PHE . 50.7 pt -89.26 -7.73 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 116.156 -0.474 . . . . 75.34 111.993 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -83.94 86.54 7.16 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.812 -0.44 . . . . 75.34 109.812 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 CA-C-O 119.413 -0.66 . . . . 64.34 111.974 178.269 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.3 p . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.766 0.317 . . . . 62.25 110.407 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.9 mt -104.0 141.2 36.59 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.73 0.812 . . . . 73.21 109.146 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.7 m -107.33 137.5 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.842 0.857 . . . . 75.32 109.194 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.573 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 58.3 mttp -93.48 118.24 31.08 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.963 0.905 . . . . 73.51 110.141 -175.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -117.97 103.72 10.19 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.434 -0.95 . . . . 73.43 108.434 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.538 ' HG3' HG22 ' B' ' 13' ' ' VAL . 3.1 mp0 -71.09 144.42 50.32 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.143 -0.688 . . . . 71.42 109.143 173.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.5 p -89.75 174.52 7.67 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.105 -0.702 . . . . 64.14 109.105 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.6 t -62.4 -23.49 66.86 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.687 -0.688 . . . . 75.12 110.296 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.536 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 23.9 t70 -85.79 4.87 35.03 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 125.261 1.425 . . . . 72.23 111.455 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 72.32 8.74 5.83 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.943 1.297 . . . . 75.44 113.466 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.19 123.78 31.85 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 110.054 -0.35 . . . . 72.45 110.054 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.538 HG22 ' HG3' ' B' ' 7' ' ' GLU . 61.5 t -81.42 117.2 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.194 0.997 . . . . 62.24 109.845 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.89 100.97 10.44 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.521 0.728 . . . . 74.15 110.12 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.573 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.6 mt-10 -89.75 94.1 9.71 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.178 -0.919 . . . . 61.51 109.154 -178.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.666 HD12 ' HB3' ' B' ' 55' ' ' LEU . 8.3 tt -99.22 157.16 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 N-CA-C 108.966 -0.753 . . . . 53.41 108.966 177.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.17 132.85 55.22 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 123.348 0.659 . . . . 72.22 109.724 176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.92 -33.42 73.12 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.403 1.081 . . . . 74.12 111.662 -171.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.79 -35.5 80.88 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.337 0.655 . . . . 64.33 111.439 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' B' ' 59' ' ' ARG . 33.0 mt -80.77 -29.79 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 123.185 0.594 . . . . 71.3 110.181 -177.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.18 -20.65 65.6 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.469 0.708 . . . . 72.0 111.865 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 56.3 m -69.09 -24.08 64.09 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.667 0.787 . . . . 72.11 112.047 176.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . 0.659 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 85.3 mtp -65.49 -34.0 77.25 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.134 0.574 . . . . 73.25 111.256 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.575 ' HA ' HG12 ' B' ' 100' ' ' ILE . 35.3 t -73.57 112.07 9.31 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 107.556 -1.275 . . . . 75.44 107.556 168.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 91.6 t -60.48 -43.78 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 123.749 0.655 . . . . 61.34 110.717 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 92.9 m -61.43 -52.38 64.82 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.235 0.614 . . . . 54.54 111.986 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 70.2 mt -61.0 -44.96 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 122.826 0.45 . . . . 74.24 110.135 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -56.29 -53.23 59.66 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.077 0.951 . . . . 42.44 110.59 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -59.68 -38.92 82.86 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 124.035 0.834 . . . . 54.45 111.197 -176.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 73.3 mtm -68.6 -40.23 80.54 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 123.744 0.652 . . . . 74.14 111.291 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -64.16 -42.22 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 109.671 -0.492 . . . . 74.23 109.671 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -72.18 -31.86 66.31 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 124.074 0.95 . . . . 31.3 111.627 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -69.57 -36.51 76.35 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.296 1.038 . . . . 74.21 110.433 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -80.91 -27.85 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 CA-C-N 115.006 -0.997 . . . . 65.11 109.751 173.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.9 -63.83 0.34 Allowed Glycine 0 C--N 1.343 0.946 0 N-CA-C 109.942 -1.263 . . . . 75.13 109.942 -177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -162.98 97.38 0.93 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.494 1.117 . . . . 61.52 108.087 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 34.4 t -77.88 103.67 7.96 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.881 0.472 . . . . 41.13 110.561 -177.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -74.5 -26.52 60.05 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.629 0.771 . . . . 60.44 109.662 170.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.9 m -72.49 148.58 90.62 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 124.592 1.157 . . . . 54.15 110.628 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.49 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 67.9 Cg_endo -69.99 144.11 51.78 Favored 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.775 2.317 . . . . 75.0 112.439 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mp -107.42 101.89 41.41 Favored Pre-proline 0 CA--C 1.552 1.037 0 N-CA-C 108.565 -0.902 . . . . 61.32 108.565 177.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.9 119.06 6.04 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.887 2.391 . . . . 62.13 111.268 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.497 HD13 HD21 ' B' ' 98' ' ' LEU . 69.3 mt -98.97 92.9 1.78 Allowed Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 124.732 1.213 . . . . 71.3 109.299 176.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -83.62 -1.27 10.07 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.947 2.431 . . . . 74.34 114.283 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -88.93 -39.21 13.92 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.505 0.322 . . . . 64.51 110.433 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.417 HG11 HD13 ' B' ' 51' ' ' LEU . 11.9 p -91.57 136.68 23.73 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.075 0.55 . . . . 60.22 110.371 -174.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.0 p -81.46 166.01 20.72 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.472 0.709 . . . . 75.44 110.261 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.536 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.8 p -66.26 -44.06 84.7 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.016 0.526 . . . . 43.13 112.192 -172.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 35.5 m -56.55 -42.19 78.1 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.239 0.962 . . . . 42.3 111.105 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.614 HG23 HD23 ' B' ' 91' ' ' LEU . 49.7 mm -77.8 -43.94 28.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 114.968 -1.014 . . . . 74.53 110.74 -175.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.417 HD13 HG11 ' B' ' 46' ' ' VAL . 28.9 tp -64.42 -36.43 84.13 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 110.005 -0.369 . . . . 55.42 110.005 -178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.46 -54.37 47.76 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.285 1.034 . . . . 72.31 111.204 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -31.49 53.06 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.827 -1.079 . . . . 62.34 111.717 -170.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.28 -44.89 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.558 0.743 . . . . 64.43 110.174 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.666 ' HB3' HD12 ' B' ' 16' ' ' ILE . 69.7 mt -65.26 -36.31 83.73 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 122.879 0.472 . . . . 74.32 110.99 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -75.4 -32.26 60.71 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.042 0.537 . . . . 71.34 111.48 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -64.07 -48.47 76.11 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 109.017 -0.734 . . . . 75.2 109.017 172.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 80.1 m -60.16 -33.94 72.88 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 115.058 -0.973 . . . . 74.44 110.632 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.513 ' HA ' HD13 ' B' ' 20' ' ' ILE . 40.5 ttm105 -58.38 -52.77 64.2 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 123.102 0.561 . . . . 72.44 110.65 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -61.5 -41.35 97.15 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.666 0.604 . . . . 75.4 111.259 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -72.64 -22.59 60.92 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 123.233 0.613 . . . . 74.23 110.835 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . 0.659 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 42.4 t60 -77.74 -43.81 29.73 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.884 0.874 . . . . 74.11 110.087 176.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.68 -35.84 73.0 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.116 0.966 . . . . 62.32 110.796 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -125.88 89.5 52.26 Favored Pre-proline 0 C--O 1.24 0.582 0 C-N-CA 124.116 0.967 . . . . 71.53 108.938 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -62.61 -21.01 72.43 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 123.288 2.659 . . . . 73.33 112.848 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.91 -3.39 55.54 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 115.777 -0.647 . . . . 72.25 113.671 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.06 78.71 0.65 Allowed Glycine 0 C--N 1.355 1.587 0 N-CA-C 111.895 -0.482 . . . . 74.11 111.895 173.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.1 m -84.28 -5.98 59.33 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.661 0.784 . . . . 40.31 111.59 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 77.62 -83.85 1.11 Allowed Glycine 0 C--N 1.35 1.352 0 N-CA-C 111.722 -0.551 . . . . 63.42 111.722 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 53.5 tp -77.11 84.41 3.6 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.733 0.813 . . . . 73.32 109.836 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 23.3 t70 173.78 -57.09 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 126.085 1.754 . . . . 71.2 107.197 176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -131.68 106.43 8.15 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 113.559 -1.655 . . . . 74.11 106.868 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.7 mm -83.23 108.96 14.54 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 123.505 0.722 . . . . 72.31 109.732 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.19 154.44 37.01 Favored 'Trans proline' 0 C--N 1.38 2.206 0 C-N-CA 123.063 2.509 . . . . 54.2 111.444 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -61.29 -60.31 0.24 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.931 2.421 . . . . 64.15 112.931 -172.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.17 -42.2 94.47 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.507 0.723 . . . . 74.52 111.446 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -29.3 67.97 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.005 0.922 . . . . 73.24 111.242 -173.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.4 ' HG2' ' HE3' ' B' ' 82' ' ' LYS . 68.3 ttt180 -70.36 -45.29 66.39 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.076 0.551 . . . . 70.25 109.92 173.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.5 -23.33 63.61 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.447 -0.797 . . . . 70.4 111.381 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -65.13 -41.34 94.91 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.046 0.938 . . . . 63.43 110.201 175.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 59.3 m -69.98 -24.47 63.32 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.338 -0.846 . . . . 75.21 110.94 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.4 ' HE3' ' HG2' ' B' ' 78' ' ' ARG . 90.6 mttt -76.8 87.38 3.4 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 109.53 -0.544 . . . . 73.3 109.53 176.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 10.4 m -132.4 165.46 32.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.987 0.915 . . . . 65.12 110.421 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -71.21 161.41 31.14 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.957 0.903 . . . . 64.13 108.996 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -57.72 -48.63 96.87 Favored Pre-proline 0 CA--C 1.569 1.678 0 CA-C-O 118.405 -0.807 . . . . 62.32 112.642 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.73 -39.5 20.28 Favored 'Trans proline' 0 C--N 1.397 3.096 0 C-N-CA 121.521 1.481 . . . . 33.21 112.056 173.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 15.3 m -63.32 -29.88 71.11 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.667 1.187 . . . . 64.21 111.487 -177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 tt -67.58 -45.0 76.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.129 0.972 . . . . 42.11 109.464 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.498 ' HD2' HD13 ' A' ' 115' ' ' ILE . 22.0 m-85 -70.95 -29.97 66.13 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.56 -0.745 . . . . 73.14 111.152 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.543 ' HB3' HG13 ' B' ' 50' ' ' ILE . 20.2 mm-40 -60.43 -39.08 86.2 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.597 0.759 . . . . 72.21 111.153 171.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.614 HD23 HG23 ' B' ' 50' ' ' ILE . 83.2 mt -64.54 -38.64 91.71 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.116 0.567 . . . . 61.23 110.931 175.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.47 HG22 ' SG ' ' A' ' 108' ' ' CYS . 39.7 mt -66.9 -41.16 87.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.167 0.587 . . . . 73.1 110.273 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.11 -39.46 94.09 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.62 0.768 . . . . 53.01 110.944 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.08 -35.48 61.8 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.555 0.742 . . . . 75.1 111.483 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.549 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -71.93 -29.25 64.09 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.344 0.658 . . . . 44.22 111.289 -179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -76.65 -48.16 19.9 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.12 0.968 . . . . 75.21 110.019 173.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . 0.407 ' HE1' ' HB3' ' B' ' 43' ' ' LEU . 68.0 t80 -60.62 -41.67 95.32 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.477 1.111 . . . . 73.05 111.907 -176.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.497 HD21 HD13 ' B' ' 43' ' ' LEU . 88.6 mt -94.39 -12.65 27.47 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.651 0.78 . . . . 75.44 111.09 -178.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 33.5 t70 50.14 74.98 0.19 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.261 1.424 . . . . 71.34 111.179 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.575 HG12 ' HA ' ' B' ' 24' ' ' SER . 34.0 mt -120.11 108.17 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 N-CA-C 108.063 -1.088 . . . . 54.52 108.063 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.01 -48.45 97.07 Favored Pre-proline 0 CA--C 1.566 1.577 0 CA-C-O 117.851 -1.071 . . . . 70.41 112.782 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -55.22 -44.84 45.25 Favored 'Trans proline' 0 C--N 1.401 3.29 0 C-N-CA 122.38 2.053 . . . . 75.3 113.519 174.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.549 HD12 ' HB2' ' B' ' 95' ' ' ALA . 0.3 OUTLIER -66.14 -52.26 50.03 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.306 0.642 . . . . 72.33 109.409 -176.545 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 42.5 tp -60.58 -48.89 79.79 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.32 1.048 . . . . 75.14 110.81 -174.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.1 -50.68 70.97 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 124.355 1.034 . . . . 71.02 111.016 -175.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 42.6 t -58.21 -43.9 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.591 0.756 . . . . 73.24 111.247 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 41.8 m -71.99 -31.5 66.3 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.514 0.726 . . . . 65.4 111.451 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.447 ' SG ' HG22 ' A' ' 92' ' ' ILE . 71.3 m -73.46 -31.49 63.81 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.58 0.752 . . . . 62.01 110.314 176.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.13 -31.57 61.14 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.439 0.696 . . . . 75.35 110.136 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 51.2 m -60.06 -52.28 66.04 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.897 0.479 . . . . 72.24 110.867 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 31.6 m -64.12 -33.71 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.83 0.452 . . . . 74.23 111.435 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.33 77.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.264 0.626 . . . . 43.44 110.87 177.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -72.91 -32.11 65.1 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.605 0.762 . . . . 71.41 111.361 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 46.9 mtm -66.01 -39.66 90.44 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 123.563 0.539 . . . . 72.14 110.67 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.471 HD13 ' HD2' ' A' ' 89' ' ' PHE . 48.5 pt -88.92 -8.2 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 116.077 -0.51 . . . . 65.34 111.977 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -83.15 87.41 6.92 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.697 -0.483 . . . . 72.21 109.697 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 CA-C-O 119.305 -0.719 . . . . 71.2 111.823 178.369 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 120.596 0.236 . . . . 73.42 110.963 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt -82.22 117.75 22.58 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.023 0.529 . . . . 52.35 110.335 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.2 m -85.29 120.91 36.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 108.877 -0.786 . . . . 72.52 108.877 170.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.544 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 91.1 mttt -84.24 121.67 27.8 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.991 -1.004 . . . . 65.44 108.861 -176.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.9 mt -118.86 104.01 10.15 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.982 0.513 . . . . 72.55 109.74 -175.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG3' HG22 ' A' ' 13' ' ' VAL . 3.0 mp0 -72.74 143.97 47.79 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 109.136 -0.69 . . . . 75.24 109.136 169.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.4 p -92.15 -177.16 4.59 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 115.277 -0.874 . . . . 72.01 110.112 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.9 p -66.77 -26.08 66.8 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.087 0.555 . . . . 74.3 110.049 168.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -83.26 -4.47 58.46 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 124.606 1.162 . . . . 71.12 110.808 175.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 75.27 -1.16 3.12 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 125.816 1.646 . . . . 72.51 114.054 172.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -72.54 132.92 44.44 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.464 0.575 . . . . 72.34 109.68 173.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG22 ' HG3' ' A' ' 7' ' ' GLU . 43.3 t -84.33 138.81 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.648 1.179 . . . . 51.15 110.395 -174.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -130.33 101.46 5.77 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.803 0.841 . . . . 74.25 109.258 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.544 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 29.7 mt-10 -86.48 87.09 7.37 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.029 -0.987 . . . . 74.24 109.391 -175.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.612 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.7 tt -99.29 152.25 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.514 0.725 . . . . 71.32 109.483 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' HB3' ' OE2' ' A' ' 19' ' ' GLU . 34.0 mp0 -60.19 135.35 57.7 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.856 0.863 . . . . 74.05 109.945 175.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.34 -43.22 95.31 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.262 0.625 . . . . 74.41 111.574 -173.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.419 ' OE2' ' HB3' ' A' ' 17' ' ' GLU . 2.8 pm0 -57.11 -30.01 64.02 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.873 0.869 . . . . 74.45 112.211 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.559 HD13 ' HA ' ' A' ' 59' ' ' ARG . 36.8 mt -77.43 -42.02 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.466 0.706 . . . . 45.0 109.79 176.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.79 -2.39 17.49 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.992 0.917 . . . . 72.14 112.59 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.2 m -74.09 -23.45 59.33 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.503 0.721 . . . . 71.4 111.979 175.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.2 mtm -69.48 -25.01 63.86 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 120.719 0.295 . . . . 62.33 110.765 173.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.4 t -74.54 99.1 3.51 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 107.633 -1.247 . . . . 72.32 107.633 166.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.1 -35.32 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 O-C-N 123.57 0.544 . . . . 74.13 110.804 -175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.7 m -60.95 -53.17 60.51 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.369 0.668 . . . . 75.44 111.615 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.6 mt -66.6 -39.44 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 123.287 0.635 . . . . 75.45 109.985 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -57.37 -49.49 76.0 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.062 0.945 . . . . 74.44 110.593 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -64.58 -36.13 83.25 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.484 0.714 . . . . 74.31 111.113 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.2 mtt -63.97 -42.95 97.11 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.311 0.645 . . . . 72.41 110.92 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.425 HG23 ' H ' ' A' ' 37' ' ' SER . 79.8 mt -67.49 -47.39 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 115.679 -0.692 . . . . 63.12 110.357 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.82 -37.31 81.57 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.25 1.02 . . . . 65.34 111.506 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.47 -45.07 92.69 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.211 1.004 . . . . 62.13 110.904 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.9 mt -88.97 -11.85 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 114.843 -1.071 . . . . 63.12 110.744 -177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.15 -76.53 0.45 Allowed Glycine 0 C--N 1.344 1.028 0 N-CA-C 109.92 -1.272 . . . . 14.21 109.92 -173.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -143.19 103.15 4.1 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.47 1.108 . . . . 64.35 108.837 171.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.425 ' H ' HG23 ' A' ' 31' ' ' ILE . 49.2 m -68.2 101.87 1.25 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.892 0.877 . . . . 64.42 111.011 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -83.9 -32.08 25.33 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.647 0.779 . . . . 63.05 110.473 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.5 p -72.57 139.96 81.37 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 115.421 -0.809 . . . . 70.42 109.776 178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.5 142.68 89.49 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.795 2.33 . . . . 70.42 113.124 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -99.41 105.94 36.26 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 108.616 -0.883 . . . . 62.43 108.616 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.403 ' HA ' ' HB2' ' A' ' 7' ' ' GLU . 5.1 Cg_exo -76.83 126.68 8.96 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.109 2.539 . . . . 74.31 110.969 174.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.7 mt -112.16 94.17 24.88 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 124.112 0.965 . . . . 63.33 110.274 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -83.09 69.57 7.03 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 123.269 2.646 . . . . 74.23 112.527 -177.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -166.75 -66.58 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 115.329 -0.85 . . . . 64.13 108.819 178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.53 124.38 32.0 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 CA-C-N 115.485 -0.779 . . . . 70.12 110.596 -176.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.1 p -71.29 167.46 19.41 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.512 0.725 . . . . 73.32 110.727 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.3 p -66.55 -38.68 87.63 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.006 0.522 . . . . 75.24 111.56 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.3 m -63.78 -47.58 80.38 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.623 0.769 . . . . 75.3 110.804 -178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.588 HG23 HD23 ' A' ' 91' ' ' LEU . 48.4 mm -71.33 -46.05 66.8 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 115.313 -0.858 . . . . 73.54 110.431 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.7 tp -59.73 -38.07 80.7 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.68 0.792 . . . . 74.23 110.604 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -58.58 -51.02 71.66 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 123.973 0.796 . . . . 71.45 110.078 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -65.52 -47.72 74.96 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 124.083 0.864 . . . . 44.53 112.056 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.6 t -61.39 -46.7 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.665 0.786 . . . . 73.53 110.54 -176.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.612 ' HB3' HD12 ' A' ' 16' ' ' ILE . 78.0 mt -65.8 -44.39 85.84 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.917 0.487 . . . . 74.11 110.946 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.45 -37.62 84.24 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.151 0.98 . . . . 72.21 111.079 -176.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD1' HD23 ' A' ' 103' ' ' LEU . 57.9 t80 -66.54 -46.36 76.39 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.589 -0.732 . . . . 73.45 109.932 174.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.578 ' SG ' HG21 ' A' ' 100' ' ' ILE . 93.1 m -60.33 -31.93 70.76 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.703 -0.68 . . . . 64.41 111.396 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.559 ' HA ' HD13 ' A' ' 20' ' ' ILE . 37.7 mtp180 -61.27 -44.16 97.69 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 109.784 -0.45 . . . . 74.2 109.784 176.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -65.79 -41.56 91.8 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.628 -0.715 . . . . 72.3 110.996 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -71.53 -20.55 62.03 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.146 0.578 . . . . 74.0 111.405 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.444 ' CG ' HG12 ' A' ' 20' ' ' ILE . 77.3 t60 -78.39 -41.09 34.17 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.989 -0.375 . . . . 72.42 109.989 174.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 12.3 mm100 -70.43 -27.76 64.52 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.715 -0.675 . . . . 73.44 110.317 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -126.79 81.1 69.73 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.036 0.934 . . . . 64.24 108.755 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -73.88 83.91 1.53 Allowed 'Trans proline' 0 C--N 1.378 2.084 0 C-N-CA 122.648 2.232 . . . . 71.45 112.053 -175.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.65 -105.7 0.2 Allowed Glycine 0 C--N 1.34 0.772 0 CA-C-N 115.939 -0.573 . . . . 35.4 112.817 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.49 83.72 1.61 Allowed Glycine 0 C--N 1.346 1.137 0 N-CA-C 110.402 -1.079 . . . . 71.22 110.402 -170.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.6 m -84.41 -25.6 28.92 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.103 0.961 . . . . 72.42 112.677 -171.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.32 -52.39 3.77 Favored Glycine 0 C--N 1.342 0.889 0 N-CA-C 111.07 -0.812 . . . . 41.32 111.07 -170.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.2 1.58 24.08 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.097 0.959 . . . . 55.05 112.373 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -84.03 14.55 4.06 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.7 0.8 . . . . 75.14 112.0 -177.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.3 t70 84.31 -30.2 0.08 Allowed 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.918 1.687 . . . . 74.52 111.647 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.424 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 39.9 mm 63.42 104.86 0.03 OUTLIER Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 124.926 1.29 . . . . 74.32 110.629 -178.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 73' ' ' ILE . 9.6 Cg_endo -52.46 140.73 53.39 Favored 'Trans proline' 0 C--N 1.375 1.967 0 C-N-CA 123.096 2.531 . . . . 70.22 112.663 176.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 74' ' ' PRO . 89.0 Cg_exo -49.85 -35.84 41.1 Favored 'Trans proline' 0 C--N 1.386 2.522 0 C-N-CA 123.688 2.926 . . . . 75.21 114.809 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -58.28 -49.56 76.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.75 0.42 . . . . 71.1 111.37 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.71 -30.97 68.72 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.952 0.901 . . . . 74.2 111.192 -172.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -72.51 -50.18 27.63 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.192 0.997 . . . . 73.12 110.4 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.458 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 12.4 m-20 -77.64 -14.26 59.68 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.289 1.435 . . . . 71.05 112.481 -176.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.455 ' CE2' HD21 ' A' ' 103' ' ' LEU . 71.3 t80 -52.93 -35.94 59.14 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.31 0.644 . . . . 72.22 110.49 171.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 56.2 m -68.63 -18.16 64.25 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.776 1.23 . . . . 42.24 112.367 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.458 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 34.9 mmtp -74.61 79.99 1.99 Allowed 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 121.485 0.66 . . . . 74.35 110.253 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -138.84 162.68 28.41 Favored 'Isoleucine or valine' 0 C--O 1.243 0.726 0 C-N-CA 124.776 1.23 . . . . 61.04 108.751 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -64.28 157.7 25.31 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 123.719 0.808 . . . . 75.54 110.157 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -54.28 51.93 Favored Pre-proline 0 CA--C 1.571 1.767 0 C-N-CA 123.864 0.866 . . . . 72.02 112.004 -169.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.412 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 57.9 Cg_endo -69.19 -31.63 22.63 Favored 'Trans proline' 0 C--N 1.393 2.869 0 CA-C-N 121.1 1.429 . . . . 54.41 112.379 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.5 m -62.46 -31.07 71.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.449 1.1 . . . . 75.05 111.512 -178.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 tt -66.55 -41.09 89.19 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.922 0.889 . . . . 63.02 109.688 176.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -72.45 -29.01 63.29 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.891 -0.595 . . . . 73.4 111.43 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 15.1 mm-40 -61.67 -36.49 81.02 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.662 0.385 . . . . 64.45 110.529 172.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.588 HD23 HG23 ' A' ' 50' ' ' ILE . 97.5 mt -65.36 -37.4 86.91 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.577 0.751 . . . . 71.54 111.153 174.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.3 mt -68.77 -43.91 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 123.301 0.64 . . . . 73.41 110.475 178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.24 -38.21 90.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.567 0.747 . . . . 72.31 110.621 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.61 -41.73 68.55 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.638 0.775 . . . . 72.12 111.228 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.14 83.33 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.458 0.703 . . . . 44.13 111.277 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.475 HD21 ' HA ' ' B' ' 105' ' ' ASP . 47.7 t30 -78.62 -37.3 42.57 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 124.033 0.833 . . . . 72.52 110.458 177.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.4 -34.73 78.38 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.63 0.772 . . . . 72.54 111.121 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 98.7 mt -97.36 -13.3 21.96 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.68 0.792 . . . . 70.41 111.264 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 59.3 33.55 22.57 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.473 1.109 . . . . 53.43 111.768 -178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.578 HG21 ' SG ' ' A' ' 58' ' ' CYS . 31.6 mt -75.31 93.6 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 108.624 -0.88 . . . . 73.14 108.624 174.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -54.2 -49.96 87.31 Favored Pre-proline 0 CA--C 1.572 1.8 0 C-N-CA 124.345 1.058 . . . . 62.2 111.86 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.9 -50.91 10.13 Favored 'Trans proline' 0 C--N 1.399 3.193 0 C-N-CA 121.629 1.553 . . . . 62.22 113.323 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.464 HD23 ' CD1' ' A' ' 57' ' ' TYR . 2.3 tm? -68.13 -39.4 82.72 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.763 0.425 . . . . 73.22 110.263 -176.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.567 HD21 HD21 ' B' ' 104' ' ' LEU . 61.8 tp -57.83 -46.63 84.44 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.769 0.828 . . . . 74.41 110.572 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.512 ' HA ' HD21 ' B' ' 96' ' ' ASN . 19.1 t70 -66.75 -51.69 52.99 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 124.218 0.948 . . . . 74.53 110.381 -174.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.3 t -55.99 -46.87 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 O-C-N 124.01 0.819 . . . . 44.23 111.307 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -70.96 -34.73 71.72 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.412 0.685 . . . . 75.2 111.954 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 91.6 m -72.28 -37.24 69.08 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.971 0.509 . . . . 72.14 110.694 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 105' ' ' ASP . 33.0 mmtp -68.37 -33.34 74.1 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.274 0.63 . . . . 72.32 109.786 177.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.0 m -58.62 -47.78 83.23 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 123.337 0.655 . . . . 74.2 111.11 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.5 t -64.81 -41.82 93.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 O-C-N 123.399 0.437 . . . . 61.51 110.312 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.84 73.0 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 114.953 -1.021 . . . . 72.11 111.319 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -81.07 -24.57 37.69 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.299 1.04 . . . . 52.43 111.818 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 47.0 mtm -71.85 -50.28 30.9 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 109.483 -0.562 . . . . 74.51 109.483 176.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.4 pt -77.48 -30.7 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 115.679 -0.691 . . . . 72.22 110.874 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 55.69 64.31 1.78 Allowed 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.658 1.183 . . . . 72.31 110.6 -172.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.311 0 CA-C-N 114.395 -1.275 . . . . 61.22 112.653 -178.241 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.53 0.205 . . . . 50.03 110.744 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 91.5 mt -82.36 117.6 22.55 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.134 0.574 . . . . 74.44 110.279 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -84.47 121.63 36.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.975 -0.75 . . . . 73.01 108.975 169.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.554 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 91.0 mttt -85.02 122.3 29.04 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.969 -1.014 . . . . 75.12 108.714 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.5 mt -119.59 103.99 9.9 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.072 0.549 . . . . 71.22 109.765 -175.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.408 ' HG3' HG22 ' B' ' 13' ' ' VAL . 4.4 mp0 -72.37 142.9 48.75 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.016 -0.735 . . . . 74.45 109.016 169.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 28.3 p -91.38 -177.37 4.82 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.287 -0.869 . . . . 65.2 110.128 174.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 59.4 p -67.19 -23.57 65.77 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.213 0.605 . . . . 70.23 110.252 168.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -85.75 -4.06 59.06 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.434 1.093 . . . . 52.45 110.864 175.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 75.09 -0.62 3.27 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 125.762 1.625 . . . . 74.33 114.133 172.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -73.36 132.77 43.42 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.517 -0.549 . . . . 51.43 109.517 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.408 HG22 ' HG3' ' B' ' 7' ' ' GLU . 43.6 t -83.93 140.11 16.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.836 1.254 . . . . 75.13 110.25 -175.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -131.28 101.55 5.61 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.714 0.806 . . . . 70.52 109.1 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.554 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 27.3 mt-10 -86.09 86.44 7.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.044 0.937 . . . . 33.42 109.502 -176.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' B' ' 55' ' ' LEU . 12.8 tt -98.37 152.37 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.482 0.713 . . . . 54.13 109.559 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 -60.48 135.71 57.83 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.812 0.845 . . . . 74.23 109.896 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.21 -44.94 90.38 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.257 0.623 . . . . 73.12 111.506 -173.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -55.54 -30.98 61.71 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.175 0.99 . . . . 44.23 111.976 176.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' B' ' 59' ' ' ARG . 36.9 mt -76.96 -41.92 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.89 0 C-N-CA 123.223 0.609 . . . . 74.34 109.893 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.25 -2.83 17.41 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.897 0.879 . . . . 45.24 112.541 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.0 m -72.96 -23.77 60.71 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.295 0.638 . . . . 55.33 112.059 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 70.6 mtm -68.93 -25.44 64.57 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 118.043 0.383 . . . . 54.15 110.826 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.7 t -74.36 99.91 3.63 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.745 -1.206 . . . . 73.51 107.745 166.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.38 -35.45 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 123.091 0.557 . . . . 73.43 110.814 -175.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 88.6 m -60.99 -53.15 60.83 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.396 0.679 . . . . 75.14 111.668 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 76.0 mt -66.56 -39.55 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 123.14 0.576 . . . . 64.01 109.972 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -57.33 -49.64 75.49 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.104 0.962 . . . . 72.15 110.675 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -64.24 -35.54 81.14 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.506 0.723 . . . . 75.12 111.178 -178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 67.0 mtt -64.74 -43.11 94.4 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 123.695 0.622 . . . . 71.23 110.762 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.422 HG23 ' H ' ' B' ' 37' ' ' SER . 79.8 mt -67.79 -46.47 82.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.589 -0.732 . . . . 72.22 110.19 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.29 -38.17 85.84 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.945 0.898 . . . . 75.12 111.354 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -58.89 -44.89 91.27 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.443 1.097 . . . . 71.43 110.94 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 60.3 mt -89.49 -9.93 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 C-N-CA 124.434 1.094 . . . . 64.22 110.674 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.15 -75.63 0.67 Allowed Glycine 0 C--N 1.344 0.992 0 N-CA-C 110.016 -1.234 . . . . 73.52 110.016 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -143.35 103.02 4.06 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.986 0.914 . . . . 73.4 108.904 171.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.422 ' H ' HG23 ' B' ' 31' ' ' ILE . 43.2 m -68.14 102.03 1.27 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.768 0.827 . . . . 61.1 110.644 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -83.13 -33.43 26.28 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.411 0.684 . . . . 73.32 110.108 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.1 p -71.12 141.05 85.98 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 123.417 0.687 . . . . 74.11 110.01 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.92 140.45 92.08 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.728 2.285 . . . . 33.14 113.271 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.14 105.95 28.07 Favored Pre-proline 0 CA--C 1.554 1.099 0 N-CA-C 108.699 -0.852 . . . . 74.22 108.699 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -77.24 126.54 8.57 Favored 'Trans proline' 0 C--N 1.379 2.148 0 C-N-CA 122.956 2.437 . . . . 72.32 110.927 174.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.406 HD13 HD21 ' B' ' 98' ' ' LEU . 79.8 mt -111.95 95.06 27.47 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 124.18 0.992 . . . . 75.23 110.244 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -83.78 70.93 6.04 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 123.195 2.596 . . . . 61.32 112.256 -177.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -167.89 -66.43 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.364 -0.834 . . . . 62.53 109.061 178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.09 124.68 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 115.205 -0.907 . . . . 45.24 110.59 -176.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 78.0 p -71.87 167.68 19.5 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.526 0.731 . . . . 72.5 110.688 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 68.7 p -67.65 -37.7 82.79 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.829 0.452 . . . . 75.14 111.313 -176.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 19.3 m -62.58 -48.83 77.73 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 123.922 0.763 . . . . 75.05 110.662 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.623 HG23 HD23 ' B' ' 91' ' ' LEU . 48.2 mm -71.7 -45.39 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 115.275 -0.875 . . . . 54.21 110.414 -177.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 37.8 tp -60.37 -37.89 82.18 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.673 0.789 . . . . 72.21 110.613 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.7 -50.9 72.2 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 123.985 0.803 . . . . 74.03 110.049 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -65.43 -47.92 74.55 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 124.317 1.01 . . . . 72.3 111.82 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.72 -46.82 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.72 0.808 . . . . 72.43 110.498 -175.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.611 ' HB3' HD12 ' B' ' 16' ' ' ILE . 80.9 mt -65.48 -44.27 87.64 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 123.469 0.481 . . . . 72.43 111.067 177.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.06 -36.65 82.28 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.125 0.97 . . . . 70.52 111.029 -175.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . 0.456 ' CD1' HD23 ' B' ' 103' ' ' LEU . 57.6 t80 -67.41 -46.12 74.15 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.528 -0.76 . . . . 74.52 109.907 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.564 ' SG ' HG21 ' B' ' 100' ' ' ILE . 97.6 m -60.65 -32.0 71.19 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.659 -0.7 . . . . 64.11 111.466 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.576 ' HA ' HD13 ' B' ' 20' ' ' ILE . 36.6 mtp-105 -61.65 -43.44 98.84 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.823 -0.436 . . . . 72.22 109.823 176.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -66.14 -41.56 90.29 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.758 -0.655 . . . . 73.01 111.004 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -71.48 -19.58 62.19 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.187 0.595 . . . . 61.44 111.474 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . 0.438 ' CG ' HG12 ' B' ' 20' ' ' ILE . 79.8 t60 -79.11 -40.93 29.84 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 110.099 -0.334 . . . . 72.41 110.099 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 12.2 mm100 -71.08 -26.36 63.02 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.835 -0.62 . . . . 70.4 110.735 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -128.11 81.11 71.08 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 124.088 0.955 . . . . 73.11 108.576 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.09 83.42 1.64 Allowed 'Trans proline' 0 C--N 1.378 2.09 0 C-N-CA 122.857 2.371 . . . . 31.04 112.006 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.8 -108.18 0.23 Allowed Glycine 0 C--N 1.341 0.808 0 CA-C-N 115.822 -0.626 . . . . 55.53 112.46 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.4 81.65 1.59 Allowed Glycine 0 C--N 1.346 1.102 0 N-CA-C 110.171 -1.172 . . . . 51.0 110.171 -170.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.6 m -84.41 -24.3 29.66 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.955 0.902 . . . . 63.02 112.316 -171.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.56 -52.12 3.96 Favored Glycine 0 C--N 1.345 1.066 0 N-CA-C 111.337 -0.705 . . . . 62.32 111.337 -171.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 3.2 pp -78.82 1.0 24.8 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.295 1.038 . . . . 72.15 112.679 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -82.93 12.93 4.32 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.451 0.701 . . . . 74.02 112.319 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 85.87 -31.54 0.05 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 126.251 1.82 . . . . 54.21 111.756 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.452 ' HA ' ' HD2' ' B' ' 74' ' ' PRO . 41.1 mm 64.39 104.61 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.312 0 C-N-CA 124.68 1.192 . . . . 62.43 110.839 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' B' ' 73' ' ' ILE . 9.9 Cg_endo -52.33 140.02 53.51 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 123.191 2.594 . . . . 75.11 112.786 176.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 74' ' ' PRO . 87.7 Cg_exo -49.68 -35.99 39.93 Favored 'Trans proline' 0 C--N 1.386 2.526 0 C-N-CA 123.76 2.973 . . . . 72.32 114.79 -175.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.4 -49.36 77.53 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.684 0.394 . . . . 55.44 111.441 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.65 -31.31 69.33 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.916 0.886 . . . . 71.24 111.095 -172.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -71.96 -50.1 31.73 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.315 1.046 . . . . 73.14 110.477 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.494 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 14.8 m-20 -77.57 -14.07 59.75 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.076 1.35 . . . . 73.52 112.527 -176.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.458 ' CE2' HD21 ' B' ' 103' ' ' LEU . 71.3 t80 -53.27 -35.42 60.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.1 0.56 . . . . 53.31 110.669 171.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 53.0 m -69.06 -16.98 63.82 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 124.793 1.237 . . . . 30.31 112.607 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.494 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 34.6 mmtp -75.49 78.27 2.53 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.333 0.653 . . . . 72.03 110.404 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.5 m -136.49 163.38 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.594 1.158 . . . . 74.14 108.867 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.86 157.28 25.05 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 123.63 0.772 . . . . 63.24 110.073 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -54.72 46.75 Favored Pre-proline 0 CA--C 1.572 1.805 0 C-N-CA 123.943 0.897 . . . . 73.05 111.876 -169.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.46 -30.65 23.34 Favored 'Trans proline' 0 C--N 1.391 2.776 0 CA-C-N 121.066 1.416 . . . . 62.42 112.426 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.2 m -63.14 -30.97 72.01 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.113 0.965 . . . . 61.42 111.451 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.16 -41.08 90.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.856 0.862 . . . . 75.15 109.596 176.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -72.2 -29.06 63.61 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.863 -0.608 . . . . 61.31 111.592 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -61.78 -36.52 81.32 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.623 0.369 . . . . 75.21 110.426 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.623 HD23 HG23 ' B' ' 50' ' ' ILE . 97.2 mt -65.72 -37.11 85.53 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.597 0.759 . . . . 74.14 110.937 175.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 58.4 mt -68.88 -44.04 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 123.427 0.691 . . . . 74.3 110.482 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.13 -38.31 90.62 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.534 0.733 . . . . 71.34 110.576 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.34 -41.54 69.66 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.98 0.8 . . . . 42.04 111.245 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.86 82.52 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.617 -0.72 . . . . 74.42 111.283 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . 0.512 HD21 ' HA ' ' A' ' 105' ' ' ASP . 45.7 t30 -79.33 -36.83 38.88 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.726 0.81 . . . . 64.21 110.643 178.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -63.06 -36.48 83.71 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.641 0.776 . . . . 64.14 110.838 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.406 HD21 HD13 ' B' ' 43' ' ' LEU . 98.4 mt -96.09 -13.03 23.97 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.756 0.823 . . . . 73.33 111.279 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 59.12 33.44 22.83 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.384 1.074 . . . . 61.23 111.944 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.564 HG21 ' SG ' ' B' ' 58' ' ' CYS . 31.8 mt -75.3 93.76 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.664 -0.865 . . . . 63.52 108.664 174.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -54.24 -49.99 87.2 Favored Pre-proline 0 CA--C 1.57 1.72 0 C-N-CA 124.356 1.063 . . . . 63.32 111.928 -176.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.13 -50.61 10.76 Favored 'Trans proline' 0 C--N 1.397 3.121 0 C-N-CA 121.754 1.636 . . . . 72.13 113.268 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.458 HD21 ' CE2' ' B' ' 80' ' ' PHE . 2.4 tm? -68.27 -39.48 82.16 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.805 0.442 . . . . 72.4 110.126 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.567 HD21 HD21 ' A' ' 104' ' ' LEU . 61.0 tp -57.97 -46.63 84.86 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.626 0.77 . . . . 73.32 110.619 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.475 ' HA ' HD21 ' A' ' 96' ' ' ASN . 19.7 t70 -66.07 -51.81 54.71 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 124.261 0.976 . . . . 73.35 110.582 -175.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 77.9 t -56.32 -46.96 81.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 O-C-N 124.025 0.828 . . . . 40.55 111.128 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 28.2 m -70.78 -34.47 71.82 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 123.395 0.678 . . . . 50.34 111.898 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 90.8 m -72.43 -37.53 68.56 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.011 0.524 . . . . 63.43 110.725 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' B' ' 105' ' ' ASP . 32.8 mmtp -68.35 -32.98 73.47 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.175 0.59 . . . . 73.44 109.686 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 92.6 m -58.8 -47.71 83.8 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 123.324 0.65 . . . . 73.42 111.085 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t -65.1 -42.07 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 123.426 0.454 . . . . 74.2 110.092 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.16 -34.57 73.76 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 114.73 -1.123 . . . . 61.04 111.143 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -80.75 -24.48 38.65 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.211 1.004 . . . . 74.11 111.76 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 49.9 mtm -71.01 -51.27 26.37 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 109.27 -0.641 . . . . 72.5 109.27 175.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 40.8 pt -76.34 -30.94 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.489 -0.778 . . . . 63.32 110.736 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 54.28 67.17 1.05 Allowed 'General case' 0 C--N 1.357 0.898 0 C-N-CA 124.692 1.197 . . . . 75.54 110.484 -171.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 CA-C-N 114.632 -1.167 . . . . 75.04 112.498 -179.547 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 m . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.87 0.367 . . . . 71.22 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.4 115.87 13.28 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.599 -0.728 . . . . 72.22 109.962 171.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.5 m -80.01 125.89 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.46 -0.571 . . . . 75.42 109.46 175.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.605 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 89.5 mttt -93.82 110.85 22.48 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.672 -0.862 . . . . 73.52 108.672 -175.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.4 mt -111.09 101.03 9.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.703 0.801 . . . . 63.22 109.25 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -81.72 128.91 34.47 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.516 -0.549 . . . . 75.31 109.516 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.5 p -71.11 -179.49 2.37 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.284 0.634 . . . . 54.01 111.103 172.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.2 p -68.67 -18.44 64.27 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.95 0.5 . . . . 72.43 110.468 169.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 29.4 t70 -91.69 9.86 30.68 Favored 'General case' 0 CA--C 1.564 1.492 0 C-N-CA 124.276 1.03 . . . . 73.24 110.591 173.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 68.98 8.9 7.12 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 125.447 1.499 . . . . 64.31 113.872 168.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -76.1 122.64 24.57 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.792 0.437 . . . . 62.45 110.166 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG13 ' HB3' ' A' ' 5' ' ' LYS . 61.2 t -78.97 102.14 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.627 1.171 . . . . 74.31 110.024 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -93.21 88.79 6.17 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.094 0.557 . . . . 61.34 109.908 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.56 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 31.1 mt-10 -73.24 111.94 8.83 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.085 -0.961 . . . . 71.34 108.54 173.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.2 tt -139.98 155.8 24.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 123.238 0.615 . . . . 72.24 109.475 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.83 133.28 55.28 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.483 0.713 . . . . 74.53 110.151 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.53 -31.57 69.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.06 0.944 . . . . 70.44 111.918 -176.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -56.0 -35.99 67.42 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.144 0.978 . . . . 75.25 112.129 175.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.46 HD13 ' HB2' ' A' ' 59' ' ' ARG . 37.8 mt -80.37 -34.82 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.0 0.92 . . . . 74.04 110.052 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.6 68.39 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.525 -0.762 . . . . 72.13 111.334 171.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.403 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 84.4 m -75.1 -27.27 59.8 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.782 0.833 . . . . 53.4 111.48 174.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.49 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 86.1 mtp -65.27 -37.51 87.43 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.235 0.541 . . . . 64.22 110.109 173.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.615 ' HA ' HG12 ' A' ' 100' ' ' ILE . 43.1 t -70.48 115.99 10.29 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.809 -1.087 . . . . 55.35 108.391 170.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 86.2 t -60.47 -52.05 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.46 0.704 . . . . 64.22 111.381 -174.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.0 m -64.58 -44.21 91.39 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.215 0.606 . . . . 74.25 112.086 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.452 HG13 HD22 ' A' ' 98' ' ' LEU . 70.5 mt -65.04 -42.39 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 109.884 -0.413 . . . . 70.22 109.884 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 20.2 ttpp -56.26 -45.09 80.2 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.961 0.904 . . . . 71.04 110.539 174.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -63.18 -34.49 77.75 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.772 0.67 . . . . 35.25 110.649 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 73.9 mtm -72.45 -34.33 67.68 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.827 0.451 . . . . 60.52 111.08 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 27' ' ' ILE . 78.6 mt -68.67 -38.12 78.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 N-CA-C 109.233 -0.655 . . . . 62.11 109.233 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.76 -26.44 59.77 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.495 0.718 . . . . 74.42 111.254 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -78.44 -46.07 20.66 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.638 0.775 . . . . 73.44 111.118 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -89.08 -39.76 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 115.552 -0.749 . . . . 75.31 110.063 -174.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.07 -151.77 18.18 Favored Glycine 0 C--N 1.342 0.876 0 N-CA-C 110.619 -0.993 . . . . 44.12 110.619 -175.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -80.26 74.11 7.1 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 121.48 0.657 . . . . 34.5 109.536 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -75.4 109.14 8.7 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.254 -0.885 . . . . 71.12 110.647 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.19 -28.26 63.09 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.348 0.659 . . . . 72.33 109.565 173.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.3 m -60.61 136.61 92.57 Favored Pre-proline 0 CA--C 1.547 0.854 0 CA-C-N 115.172 -0.922 . . . . 62.52 110.7 172.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.605 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.6 Cg_endo -68.78 143.19 54.84 Favored 'Trans proline' 0 C--N 1.37 1.705 0 C-N-CA 122.716 2.278 . . . . 71.14 111.772 177.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.4 mm -104.23 102.05 30.32 Favored Pre-proline 0 CA--C 1.551 1.007 0 N-CA-C 109.469 -0.567 . . . . 73.12 109.469 -175.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.98 136.42 10.41 Favored 'Trans proline' 0 C--N 1.372 1.77 0 C-N-CA 122.486 2.124 . . . . 71.31 111.985 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.2 mt -103.41 95.34 6.94 Favored Pre-proline 0 CA--C 1.557 1.213 0 C-N-CA 124.556 1.142 . . . . 75.1 108.248 172.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -82.78 42.3 1.27 Allowed 'Trans proline' 0 C--N 1.378 2.113 0 C-N-CA 123.636 2.891 . . . . 71.54 113.974 -170.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -142.73 -57.61 0.43 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.211 0.604 . . . . 72.24 109.89 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.39 127.62 34.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 115.883 -0.599 . . . . 71.12 110.105 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.7 p -75.05 171.07 14.77 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.531 0.732 . . . . 41.23 111.494 -176.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 34.1 p -63.06 -48.02 80.48 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.767 0.827 . . . . 71.14 112.181 -175.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 62.7 p -57.15 -46.2 82.95 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 124.237 0.961 . . . . 73.25 110.881 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.589 HG23 HD23 ' A' ' 91' ' ' LEU . 46.8 mm -74.99 -46.69 39.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.756 -0.656 . . . . 73.11 110.924 -174.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.38 -36.82 84.99 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.107 0.563 . . . . 73.01 110.844 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.99 -49.88 76.19 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.26 0.624 . . . . 75.13 109.822 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 49' ' ' THR . 27.9 mtpp -64.29 -46.92 81.5 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.56 1.163 . . . . 65.2 111.781 -176.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.541 HG13 ' HG ' ' A' ' 103' ' ' LEU . 70.2 t -60.77 -44.94 98.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 123.608 0.763 . . . . 64.44 110.089 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.5 mt -70.07 -32.12 70.05 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.304 0.641 . . . . 75.23 111.516 177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.57 -32.33 60.34 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.475 0.71 . . . . 70.25 111.213 -177.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -75.1 -40.02 60.26 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.825 -0.435 . . . . 74.51 109.825 175.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.52 ' SG ' HD13 ' A' ' 100' ' ' ILE . 84.2 m -64.41 -37.61 88.13 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.007 -0.542 . . . . 74.33 110.404 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.46 ' HB2' HD13 ' A' ' 20' ' ' ILE . 6.5 ptm180 -72.41 -34.39 67.84 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.814 0.446 . . . . 55.03 110.124 178.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -58.85 -47.16 85.85 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.147 0.979 . . . . 65.42 110.52 171.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -78.49 -15.37 58.69 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.967 -1.015 . . . . 63.43 110.409 -177.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.49 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 71.8 t60 -82.28 -38.83 23.82 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.662 0.385 . . . . 61.21 110.478 176.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 19.6 mm100 -73.91 -30.94 62.86 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.688 -0.687 . . . . 72.14 110.416 178.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -124.81 81.52 61.49 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 108.129 -1.063 . . . . 72.41 108.129 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -68.34 -62.9 0.05 OUTLIER 'Trans proline' 0 C--N 1.383 2.388 0 C-N-CA 122.735 2.29 . . . . 75.13 111.505 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.46 -85.71 0.04 OUTLIER Glycine 0 C--N 1.357 1.699 0 O-C-N 124.125 0.891 . . . . 54.23 113.162 -177.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.57 -98.5 0.65 Allowed Glycine 0 C--N 1.343 0.935 0 N-CA-C 110.887 -0.885 . . . . 62.12 110.887 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.0 p -82.54 78.01 9.23 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 121.652 0.739 . . . . 70.32 109.87 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.73 47.2 0.74 Allowed Glycine 0 C--N 1.342 0.916 0 CA-C-N 115.215 -0.902 . . . . 64.25 111.957 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.0 mt -70.38 -20.07 62.98 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.354 0.661 . . . . 73.54 111.032 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -72.16 -23.39 61.28 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.605 1.162 . . . . 72.21 111.081 175.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -109.77 95.25 5.48 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 108.784 -0.821 . . . . 72.51 108.784 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.9 mm -104.46 112.03 65.31 Favored Pre-proline 0 N--CA 1.477 0.877 0 N-CA-C 109.404 -0.591 . . . . 65.12 109.404 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -61.56 142.48 94.95 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.201 1.934 . . . . 72.4 111.319 170.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.0 -32.47 58.17 Favored 'Trans proline' 0 C--N 1.383 2.363 0 C-N-CA 123.4 2.733 . . . . 65.43 113.191 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -52.4 -41.25 63.01 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.943 0.897 . . . . 61.54 112.041 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -36.67 84.65 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.978 0.911 . . . . 73.32 110.525 -176.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -76.37 -34.96 58.91 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.557 -0.747 . . . . 75.32 110.544 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -70.67 -27.15 63.81 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 116.24 -0.436 . . . . 61.41 110.802 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -65.12 -39.47 93.13 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.354 1.061 . . . . 60.52 109.958 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 66.1 m -69.91 -20.82 63.34 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 114.377 -1.283 . . . . 75.22 112.06 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -76.06 82.88 2.91 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.19 0.596 . . . . 73.22 109.473 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.59 167.15 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.754 1.222 . . . . 60.11 109.105 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -70.74 157.84 37.33 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 109.197 -0.668 . . . . 73.51 109.197 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -57.27 -50.68 86.79 Favored Pre-proline 0 CA--C 1.566 1.576 0 N-CA-C 113.144 0.794 . . . . 60.3 113.144 -171.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.48 -37.07 31.51 Favored 'Trans proline' 0 C--N 1.388 2.639 0 C-N-CA 121.503 1.468 . . . . 72.53 112.421 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 28.6 m -60.21 -32.76 71.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.4 1.08 . . . . 62.14 111.599 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.48 -48.75 74.02 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.089 0.955 . . . . 71.23 109.402 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -66.83 -29.85 69.88 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.605 -0.725 . . . . 71.13 111.274 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' HB3' HG13 ' A' ' 50' ' ' ILE . 19.3 mm-40 -63.39 -38.51 91.41 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.147 0.579 . . . . 73.41 111.254 173.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.589 HD23 HG23 ' A' ' 50' ' ' ILE . 96.1 mt -64.94 -37.36 87.4 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.242 0.617 . . . . 74.14 110.621 175.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.3 mt -65.79 -45.07 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 123.553 0.741 . . . . 65.12 110.221 176.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.85 -39.45 90.79 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.879 0.871 . . . . 63.01 111.173 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.85 -34.74 66.97 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.534 0.734 . . . . 73.33 110.956 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.613 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -73.67 -28.83 61.96 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.53 0.732 . . . . 71.54 111.831 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -78.95 -38.9 35.97 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.432 0.693 . . . . 60.13 109.997 174.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -63.65 -41.3 98.23 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.007 0.923 . . . . 71.1 111.088 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.452 HD22 HG13 ' A' ' 27' ' ' ILE . 83.3 mt -94.26 -9.22 36.81 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.609 0.763 . . . . 73.01 111.204 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.511 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 25.0 t0 57.21 33.8 23.86 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.555 1.542 . . . . 53.04 112.03 176.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.615 HG12 ' HA ' ' A' ' 24' ' ' SER . 47.6 mt -81.68 105.78 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.526 -0.761 . . . . 73.3 109.186 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -61.12 -49.85 86.78 Favored Pre-proline 0 CA--C 1.566 1.573 0 CA-C-O 117.901 -1.047 . . . . 54.13 112.537 -177.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -57.35 -39.15 91.77 Favored 'Trans proline' 0 C--N 1.408 3.673 0 C-N-CA 121.953 1.769 . . . . 73.23 113.485 178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.613 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -68.87 -52.42 29.91 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.04 -0.726 . . . . 72.32 109.04 -179.56 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.564 HD21 HD21 ' B' ' 104' ' ' LEU . 41.9 tp -61.21 -43.94 98.08 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.632 -1.167 . . . . 61.51 111.306 -173.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.43 -49.43 66.77 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.98 0.8 . . . . 70.23 110.692 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 40.2 t -58.01 -44.26 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.43 0.692 . . . . 74.5 111.202 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.5 m -74.08 -31.02 62.65 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.483 0.713 . . . . 74.11 111.958 -177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 88.8 m -75.85 -29.7 58.66 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.945 0.498 . . . . 65.14 110.491 175.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.98 -28.7 60.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.362 0.665 . . . . 74.35 110.177 175.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.8 m -56.88 -53.62 55.84 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.384 0.673 . . . . 72.21 111.101 174.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.4 m -66.68 -35.47 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 116.441 -0.345 . . . . 63.12 110.797 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.452 ' HB2' HD11 ' B' ' 93' ' ' LEU . . . -61.85 -36.19 80.49 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 124.056 0.847 . . . . 43.51 111.641 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -72.61 -43.0 63.87 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.298 0.639 . . . . 74.01 110.749 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 63.3 mtm -64.12 -38.44 91.05 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.313 0.645 . . . . 74.43 111.848 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' B' ' 86' ' ' PRO . 24.8 pt -83.06 -28.93 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 122.982 0.513 . . . . 72.05 111.217 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -80.27 97.06 6.81 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.779 -0.822 . . . . 73.23 108.779 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.699 0 CA-C-N 115.325 -0.852 . . . . 64.3 113.442 173.229 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 120.7 0.286 . . . . 73.12 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.91 116.6 12.5 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.779 -0.646 . . . . 52.12 109.707 171.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.58 125.31 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 121.477 0.656 . . . . 74.34 109.44 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.618 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 89.7 mttt -93.57 111.47 23.15 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 108.637 -0.875 . . . . 71.41 108.637 -175.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 72.2 mt -111.48 100.34 8.93 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.522 0.729 . . . . 73.01 109.298 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -80.57 128.18 33.3 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.613 -0.514 . . . . 63.04 109.613 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.9 p -70.57 179.64 2.47 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.064 0.545 . . . . 70.03 111.123 172.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 53.5 p -67.12 -20.29 65.75 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.033 0.533 . . . . 51.15 110.416 169.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 26.9 t70 -90.34 8.91 31.07 Favored 'General case' 0 CA--C 1.563 1.461 0 C-N-CA 124.336 1.054 . . . . 73.22 110.714 174.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 69.23 11.04 8.09 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 125.372 1.469 . . . . 74.4 113.698 168.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -77.58 123.17 26.27 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.785 0.434 . . . . 71.52 110.111 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.428 HG13 ' HB3' ' B' ' 5' ' ' LYS . 59.7 t -79.91 101.62 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.263 1.025 . . . . 75.5 109.935 -176.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -92.56 88.74 6.44 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.184 0.516 . . . . 74.31 109.842 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.557 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 32.2 mt-10 -72.76 112.38 8.76 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 108.211 -1.033 . . . . 71.12 108.211 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.0 tt -140.38 156.37 23.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 109.511 -0.551 . . . . 63.42 109.511 -176.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.96 133.86 55.92 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.293 0.637 . . . . 62.32 110.19 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -60.58 -31.25 70.4 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.266 1.026 . . . . 50.43 111.648 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -56.8 -36.09 69.51 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.006 0.923 . . . . 71.14 112.005 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.438 HD13 ' HB2' ' B' ' 59' ' ' ARG . 37.1 mt -79.54 -35.14 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.771 0.828 . . . . 74.45 110.077 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.56 -26.82 68.58 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 115.604 -0.725 . . . . 73.13 111.334 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . 0.401 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 76.7 m -74.63 -28.97 61.11 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.665 0.786 . . . . 54.44 111.383 174.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 85.6 mtp -63.72 -37.07 85.98 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.093 0.473 . . . . 70.04 110.271 174.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.595 ' HA ' HG12 ' B' ' 100' ' ' ILE . 42.5 t -70.53 116.69 11.15 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 114.996 -1.002 . . . . 74.35 108.484 170.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 89.1 t -61.05 -52.32 62.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.39 0.676 . . . . 74.24 111.206 -174.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 84.9 m -64.23 -44.57 91.46 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.352 0.661 . . . . 55.35 112.241 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.471 HG13 HD22 ' B' ' 98' ' ' LEU . 70.7 mt -64.84 -42.2 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 109.894 -0.41 . . . . 61.34 109.894 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' B' ' 22' ' ' CYS . 20.4 ttpp -56.15 -45.19 79.74 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.923 0.889 . . . . 75.54 110.475 174.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -63.29 -34.37 77.54 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.916 0.76 . . . . 64.02 110.752 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 73.6 mtm -72.8 -34.38 66.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.041 0.536 . . . . 71.21 110.988 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 27' ' ' ILE . 77.9 mt -68.59 -37.1 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.269 0 C-N-CA 123.319 0.648 . . . . 75.43 109.474 174.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -76.16 -26.27 56.08 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.557 0.743 . . . . 54.33 111.428 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -78.68 -46.35 19.31 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.758 0.823 . . . . 73.3 111.101 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 67.3 mt -87.96 -41.36 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.272 -0.877 . . . . 72.45 109.935 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.96 -151.17 18.34 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 110.761 -0.936 . . . . 64.53 110.761 -174.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -80.91 74.31 7.89 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.536 0.684 . . . . 74.43 109.382 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 28.6 p -75.94 109.86 9.92 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 115.009 -0.996 . . . . 53.34 110.009 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.93 -30.55 65.45 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.974 -0.75 . . . . 70.32 108.974 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 37.6 m -60.62 135.95 92.35 Favored Pre-proline 0 CA--C 1.544 0.712 0 O-C-N 124.389 1.056 . . . . 74.11 110.585 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.618 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 58.7 Cg_endo -67.75 143.75 62.84 Favored 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 122.853 2.369 . . . . 74.21 111.522 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 44.5 mm -104.66 101.81 30.71 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 109.612 -0.514 . . . . 72.04 109.612 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -80.54 136.83 11.22 Favored 'Trans proline' 0 C--N 1.374 1.874 0 C-N-CA 122.326 2.018 . . . . 64.45 112.068 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 63.6 mt -104.07 94.46 6.66 Favored Pre-proline 0 CA--C 1.558 1.259 0 C-N-CA 124.498 1.119 . . . . 74.11 108.231 172.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -82.06 42.34 1.3 Allowed 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 123.463 2.775 . . . . 62.41 114.16 -171.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -142.54 -56.84 0.44 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.328 0.651 . . . . 75.33 109.878 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.61 126.91 34.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 CA-C-N 115.982 -0.554 . . . . 73.14 110.062 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 40.9 p -74.45 169.9 16.77 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.805 0.842 . . . . 60.4 111.279 -176.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 31.0 p -63.02 -47.79 81.57 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.756 0.823 . . . . 55.51 112.216 -174.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 66.1 p -57.2 -45.33 83.87 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 124.159 0.912 . . . . 72.4 111.145 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.575 HG23 HD23 ' B' ' 91' ' ' LEU . 47.3 mm -75.43 -46.47 37.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 115.579 -0.737 . . . . 73.24 110.797 -174.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.35 -36.86 85.1 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 123.625 0.578 . . . . 62.31 110.746 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.73 -49.81 76.25 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.325 0.65 . . . . 60.34 109.858 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' B' ' 49' ' ' THR . 28.1 mtpp -64.62 -46.47 82.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.934 -1.03 . . . . 62.53 111.979 -176.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.536 HG13 ' HG ' ' B' ' 103' ' ' LEU . 69.7 t -61.13 -45.28 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.63 0.772 . . . . 62.4 110.012 -178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 76.1 mt -69.61 -31.88 70.27 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.775 -0.648 . . . . 73.43 111.529 177.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -75.61 -32.66 60.37 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.479 0.712 . . . . 75.04 111.375 -177.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -75.14 -39.77 60.22 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.898 -0.408 . . . . 71.33 109.898 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.507 ' SG ' HD13 ' B' ' 100' ' ' ILE . 84.7 m -64.65 -37.48 87.74 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.975 -0.557 . . . . 73.31 110.541 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.438 ' HB2' HD13 ' B' ' 20' ' ' ILE . 6.5 ptm180 -72.5 -34.39 67.62 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.803 0.441 . . . . 70.05 110.278 178.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -58.79 -47.86 83.28 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.266 1.027 . . . . 61.44 110.433 171.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -77.74 -15.63 58.99 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.238 -0.892 . . . . 64.11 110.48 -177.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . 0.478 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 70.7 t60 -82.22 -39.25 23.35 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.614 0.366 . . . . 64.31 110.496 176.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 17.2 mm100 -73.3 -31.24 63.92 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.782 -0.645 . . . . 73.13 110.395 177.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -124.46 81.6 59.3 Favored Pre-proline 0 C--O 1.244 0.783 0 N-CA-C 108.22 -1.03 . . . . 62.54 108.22 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.18 -61.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 122.691 2.261 . . . . 74.0 111.563 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.94 -85.81 0.05 OUTLIER Glycine 0 C--N 1.356 1.672 0 O-C-N 124.128 0.893 . . . . 74.42 112.698 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 122.57 -98.48 0.62 Allowed Glycine 0 C--N 1.343 0.94 0 N-CA-C 110.659 -0.976 . . . . 71.11 110.659 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 45.2 p -83.38 76.84 9.88 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 123.43 0.692 . . . . 72.43 109.884 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.32 45.81 0.88 Allowed Glycine 0 C--N 1.347 1.191 0 CA-C-N 115.398 -0.819 . . . . 71.11 112.189 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.92 -21.72 63.27 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.485 0.714 . . . . 72.01 111.114 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -69.85 -24.87 63.51 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.656 1.182 . . . . 72.41 111.182 174.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -108.76 95.96 6.0 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.644 0.778 . . . . 73.45 109.539 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 46.7 mm -104.09 113.26 65.44 Favored Pre-proline 0 CA--C 1.542 0.651 0 N-CA-C 109.043 -0.725 . . . . 70.12 109.043 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -61.95 141.85 90.86 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.322 2.015 . . . . 51.1 111.313 169.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.41 -32.03 50.43 Favored 'Trans proline' 0 C--N 1.382 2.332 0 C-N-CA 123.259 2.639 . . . . 74.4 113.409 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -52.58 -41.65 63.8 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.715 0.806 . . . . 62.45 112.092 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.6 -37.22 85.38 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.027 0.931 . . . . 54.31 110.692 -177.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -76.27 -35.29 58.98 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.287 -0.87 . . . . 71.34 110.912 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -71.09 -26.39 63.02 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.808 -0.633 . . . . 74.3 110.785 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -65.28 -39.65 92.84 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.244 1.018 . . . . 75.11 109.942 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.0 m -70.53 -18.98 62.93 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 114.286 -1.325 . . . . 73.4 112.261 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -77.28 82.22 3.76 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.33 0.652 . . . . 72.43 109.693 176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 m -135.87 166.96 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.717 1.207 . . . . 44.54 109.093 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -70.38 157.69 37.33 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 109.284 -0.635 . . . . 62.3 109.284 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -57.09 -50.49 87.93 Favored Pre-proline 0 CA--C 1.566 1.592 0 C-N-CA 123.782 0.833 . . . . 44.25 113.036 -171.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.571 ' HA ' HD12 ' A' ' 115' ' ' ILE . 40.4 Cg_endo -65.49 -36.75 32.88 Favored 'Trans proline' 0 C--N 1.388 2.65 0 C-N-CA 121.48 1.453 . . . . 65.11 112.872 173.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 28.3 m -61.01 -31.86 71.46 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.39 1.076 . . . . 72.11 111.715 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 tt -64.89 -49.05 72.0 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.024 0.93 . . . . 73.42 109.417 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.414 ' CD2' HD13 ' A' ' 115' ' ' ILE . 52.1 m-85 -67.22 -29.65 69.36 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.591 -0.732 . . . . 72.34 111.343 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.8 -38.61 91.36 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.274 0.63 . . . . 74.24 111.288 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.575 HD23 HG23 ' B' ' 50' ' ' ILE . 96.0 mt -65.06 -37.19 86.75 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.144 0.578 . . . . 72.43 110.637 175.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.4 HD12 ' HD1' ' B' ' 89' ' ' PHE . 62.7 mt -65.79 -45.0 92.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 123.583 0.753 . . . . 73.13 110.156 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 112' ' ' ALA . 96.1 mt -65.22 -40.63 94.38 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.926 0.89 . . . . 65.4 111.275 -178.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.19 -34.76 68.66 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.519 0.728 . . . . 75.53 110.982 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.599 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -73.71 -28.4 61.71 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.478 0.711 . . . . 74.13 111.664 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -79.14 -39.89 32.38 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.493 0.717 . . . . 72.32 109.933 174.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -63.11 -40.92 99.04 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.982 0.913 . . . . 73.22 111.106 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.471 HD22 HG13 ' B' ' 27' ' ' ILE . 83.3 mt -94.6 -8.46 38.03 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.614 0.765 . . . . 63.25 111.195 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.519 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 25.2 t0 56.34 34.24 23.77 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.478 1.511 . . . . 73.13 111.958 177.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.595 HG12 ' HA ' ' B' ' 24' ' ' SER . 46.6 mt -82.0 105.98 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 115.462 -0.79 . . . . 73.34 109.21 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -62.43 -48.99 85.72 Favored Pre-proline 0 CA--C 1.563 1.455 0 CA-C-O 117.88 -1.057 . . . . 72.12 112.446 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -57.15 -38.57 95.11 Favored 'Trans proline' 0 C--N 1.404 3.467 0 C-N-CA 121.894 1.73 . . . . 52.15 113.528 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.599 HD12 ' HB2' ' B' ' 95' ' ' ALA . 0.7 OUTLIER -69.73 -52.4 25.78 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 109.105 -0.702 . . . . 72.5 109.105 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.564 HD21 HD21 ' A' ' 104' ' ' LEU . 42.3 tp -61.24 -44.68 96.87 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 114.644 -1.162 . . . . 74.41 111.327 -173.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -66.05 -48.76 69.98 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.177 0.923 . . . . 62.2 110.433 -175.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.56 -44.55 89.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.407 0.683 . . . . 73.34 111.245 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -73.62 -30.85 63.22 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.542 0.737 . . . . 74.23 111.89 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.5 m -76.06 -29.37 57.98 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.121 0.568 . . . . 64.34 110.707 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.61 -28.57 58.91 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.403 0.681 . . . . 63.12 110.368 175.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 89.3 m -56.99 -53.86 53.21 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.387 0.675 . . . . 74.01 111.035 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 15.6 m -66.67 -35.49 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 O-C-N 123.178 0.299 . . . . 73.43 110.761 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.02 -35.6 79.03 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.9 0.75 . . . . 45.52 111.527 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -72.56 -43.79 62.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.194 0.598 . . . . 63.34 110.639 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 62.9 mtm -63.14 -38.94 93.15 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.089 0.556 . . . . 74.42 111.654 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 24.4 pt -82.67 -28.79 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 116.095 -0.502 . . . . 61.05 111.278 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -80.62 96.92 7.0 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.414 -0.587 . . . . 75.44 109.414 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.555 0 CA-C-O 119.182 -0.788 . . . . 75.12 113.533 174.207 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 110.732 -0.099 . . . . 72.4 110.732 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -93.3 118.3 31.11 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.34 0.656 . . . . 61.22 110.836 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.15 131.1 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.738 -0.838 . . . . 74.4 108.738 167.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.549 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 51.1 mttm -83.2 120.07 25.35 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.534 -0.913 . . . . 72.21 108.534 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.9 mt -120.79 102.81 8.62 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.126 0.571 . . . . 72.43 109.632 -178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -80.86 154.41 27.11 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.427 0.632 . . . . 64.31 110.272 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.3 p -91.98 -174.6 3.84 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-N 114.948 -1.024 . . . . 65.2 111.024 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 p -62.5 -32.9 73.89 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 115.487 -0.779 . . . . 75.11 109.906 166.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.14 -2.44 31.07 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.41 1.084 . . . . 72.41 111.952 173.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 66.55 12.48 8.76 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 125.199 1.4 . . . . 53.43 113.124 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -74.07 128.54 35.79 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.649 -0.5 . . . . 72.14 109.649 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.5 t -75.84 116.6 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.195 0.998 . . . . 72.44 110.678 -174.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -115.07 88.12 2.8 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.833 -0.803 . . . . 75.4 108.833 174.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.549 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 97.9 mt-10 -66.66 127.71 33.47 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.089 -0.96 . . . . 74.55 109.135 172.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.6 HD12 ' HB3' ' A' ' 55' ' ' LEU . 9.2 tt -142.48 148.17 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 N-CA-C 108.348 -0.982 . . . . 70.54 108.348 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -58.71 132.05 52.71 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.855 -0.424 . . . . 73.24 109.855 175.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -60.63 -41.5 95.02 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.454 1.102 . . . . 73.45 111.441 -173.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -61.75 -29.94 70.45 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.46 1.104 . . . . 75.32 112.014 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.552 HD13 ' HA ' ' A' ' 59' ' ' ARG . 43.3 mt -76.08 -41.46 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 109.467 -0.568 . . . . 74.01 109.467 174.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -16.96 62.33 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.939 0.896 . . . . 73.33 112.194 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.6 m -72.75 -22.58 60.83 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.291 0.637 . . . . 72.44 111.96 175.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.7 mtm -64.47 -29.33 70.37 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.522 0.677 . . . . 73.41 110.323 174.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.6 t -71.17 111.97 6.94 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.06 -1.089 . . . . 63.21 108.06 164.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 99' ' ' ASP . 45.8 t -66.31 -35.37 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.389 0.431 . . . . 62.22 110.359 -176.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.7 m -62.58 -49.25 76.0 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.059 0.544 . . . . 52.12 111.504 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.16 -37.34 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 122.968 0.507 . . . . 62.41 109.838 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -61.0 -41.54 96.73 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.387 0.675 . . . . 75.23 110.2 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -68.94 -31.01 69.59 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.2 0.6 . . . . 64.31 110.987 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.7 mtt -66.92 -40.73 87.73 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.23 0.612 . . . . 65.05 109.918 173.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.2 mt -65.21 -38.17 82.0 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 123.85 0.86 . . . . 72.52 110.477 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.32 -38.46 60.22 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.946 0.498 . . . . 73.01 111.659 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -77.9 -46.46 21.24 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.432 0.693 . . . . 74.33 111.556 -174.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -81.91 -19.31 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.524 0.73 . . . . 71.32 110.63 -176.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.43 26.83 29.23 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 116.407 -0.36 . . . . 73.0 112.239 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 76.27 127.5 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.283 1.833 . . . . 54.3 111.729 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.4 m -116.15 114.17 24.11 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.807 0.843 . . . . 64.05 109.669 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.18 -29.91 61.98 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.36 -0.978 . . . . 60.04 108.36 167.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 m -59.29 152.77 51.63 Favored Pre-proline 0 CA--C 1.558 1.266 0 C-N-CA 125.262 1.425 . . . . 70.24 111.796 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -67.15 142.64 61.87 Favored 'Trans proline' 0 C--N 1.373 1.845 0 C-N-CA 122.695 2.264 . . . . 75.31 112.492 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mm -123.56 117.53 27.7 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 124.194 0.998 . . . . 74.25 108.892 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -80.87 141.73 13.55 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.211 1.941 . . . . 61.32 111.561 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.466 HD23 HD21 ' A' ' 98' ' ' LEU . 6.9 mp -110.31 92.28 13.25 Favored Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 107.71 -1.219 . . . . 73.12 107.71 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.77 70.69 7.12 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 122.954 2.436 . . . . 64.52 112.068 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -169.12 -57.24 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.64 0.776 . . . . 72.02 109.812 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.402 HG11 HD13 ' A' ' 51' ' ' LEU . 7.4 p -88.17 128.64 40.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 CA-C-N 115.22 -0.9 . . . . 75.51 110.081 -174.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.7 p -71.81 165.79 23.37 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.515 0.726 . . . . 73.13 110.87 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.8 p -68.55 -39.44 81.1 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.594 0.59 . . . . 71.12 112.594 -174.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.7 p -64.16 -40.59 96.45 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 122.989 0.516 . . . . 74.33 110.932 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 54' ' ' VAL . 51.7 mm -74.73 -46.81 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.961 -0.563 . . . . 74.53 109.897 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.402 HD13 HG11 ' A' ' 46' ' ' VAL . 44.9 tp -64.23 -35.09 79.68 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.522 0.729 . . . . 74.43 111.239 -175.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -56.21 -50.15 72.07 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 123.769 0.668 . . . . 60.31 109.577 173.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -69.86 -34.55 73.75 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.492 1.12 . . . . 62.15 112.081 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 50' ' ' ILE . 55.6 t -65.94 -48.04 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.526 0.73 . . . . 75.45 109.728 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.6 ' HB3' HD12 ' A' ' 16' ' ' ILE . 76.1 mt -73.24 -28.28 62.06 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.472 -0.785 . . . . 73.12 111.209 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.88 -35.15 64.68 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.832 0.853 . . . . 71.02 111.225 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -69.79 -43.35 72.3 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.177 -0.675 . . . . 61.41 109.177 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' A' ' 100' ' ' ILE . 85.4 m -63.02 -41.91 99.67 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.376 -0.829 . . . . 64.14 110.521 175.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.552 ' HA ' HD13 ' A' ' 20' ' ' ILE . 45.8 ttp85 -60.0 -46.53 89.19 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.727 0.811 . . . . 72.22 109.7 179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -59.53 -47.67 84.62 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 114.348 -1.296 . . . . 54.22 111.118 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -72.55 -31.22 65.11 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.583 0.552 . . . . 61.21 111.701 -171.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -80.5 -45.75 16.98 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.986 0.515 . . . . 75.44 110.745 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -77.35 -32.63 55.19 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.492 0.717 . . . . 70.15 111.084 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -127.15 90.58 48.81 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 124.276 1.031 . . . . 70.42 108.323 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -55.6 -23.98 42.8 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.31 2.674 . . . . 73.51 114.55 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.45 22.92 52.77 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 116.463 -0.335 . . . . 53.14 113.361 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.23 61.3 4.27 Favored Glycine 0 C--N 1.35 1.36 0 CA-C-N 116.818 0.309 . . . . 62.4 112.816 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.1 m -146.34 85.09 1.65 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.067 0.947 . . . . 63.11 109.389 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 72.76 92.7 0.1 Allowed Glycine 0 C--N 1.348 1.218 0 CA-C-N 115.366 -0.834 . . . . 70.14 112.245 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.6 mp -78.61 70.72 5.0 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 108.416 -0.957 . . . . 51.4 108.416 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -179.88 -31.22 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.148 -1.387 . . . . 71.22 109.313 -168.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -52.01 -47.61 64.88 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.695 1.198 . . . . 75.0 111.991 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.6 mm 59.6 88.11 0.13 Allowed Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 124.856 1.262 . . . . 73.34 109.605 -173.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.66 129.33 33.1 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.632 2.221 . . . . 75.31 112.115 -177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -58.32 -18.78 39.72 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 123.163 2.575 . . . . 74.34 113.004 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.16 -54.76 36.46 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.984 0.913 . . . . 73.01 110.096 173.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.88 -29.27 64.17 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.963 0.905 . . . . 75.25 111.29 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -74.7 -36.55 62.73 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.923 -0.581 . . . . 71.21 110.588 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.594 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 10.7 m-20 -77.81 -22.99 49.21 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 116.107 -0.497 . . . . 62.3 111.188 173.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -61.13 -39.89 91.75 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 109.775 -0.454 . . . . 73.05 109.775 168.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 76.5 m -75.85 0.39 18.33 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.917 0.887 . . . . 34.41 112.556 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.594 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 34.2 mmtp -76.14 85.21 2.99 Favored 'General case' 0 C--N 1.362 1.139 0 N-CA-C 108.865 -0.791 . . . . 61.44 108.865 170.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.51 ' HB ' ' HB ' ' A' ' 87' ' ' THR . 13.9 m -135.73 151.99 30.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 C-N-CA 124.467 1.107 . . . . 63.13 109.091 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -75.39 170.58 15.82 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 109.38 -0.6 . . . . 75.33 109.38 177.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -56.08 -50.78 85.41 Favored Pre-proline 0 CA--C 1.563 1.479 0 CA-C-O 118.245 -0.883 . . . . 72.1 113.202 -175.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.411 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 36.5 Cg_endo -62.56 -34.44 75.11 Favored 'Trans proline' 0 C--N 1.389 2.66 0 CA-C-N 121.296 1.499 . . . . 71.25 112.362 174.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.51 ' HB ' ' HB ' ' A' ' 83' ' ' VAL . 4.1 m -68.85 -30.33 68.83 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 124.134 0.974 . . . . 73.41 111.295 -175.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.48 ' HG ' HG23 ' A' ' 83' ' ' VAL . 13.0 mt -54.96 -51.93 64.62 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.139 0.976 . . . . 55.25 109.891 170.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -69.0 -30.37 68.75 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.034 -0.984 . . . . 75.42 111.694 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 35.2 mm-40 -65.62 -36.22 83.08 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.765 0.426 . . . . 75.25 111.86 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.51 HD11 HG11 ' A' ' 83' ' ' VAL . 90.4 mt -68.89 -36.3 77.89 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 122.881 0.472 . . . . 74.31 110.641 174.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -65.73 -44.86 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.668 0.787 . . . . 61.31 110.162 176.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.5 mt -68.51 -38.27 80.77 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.843 0.857 . . . . 64.45 111.206 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.58 -38.94 70.86 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.395 0.678 . . . . 71.02 111.324 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.52 -30.17 65.62 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.379 0.672 . . . . 63.44 111.612 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.446 HD21 ' HA ' ' B' ' 105' ' ' ASP . 25.3 t30 -72.79 -44.38 61.62 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.769 0.827 . . . . 73.33 109.891 173.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -64.05 -35.48 80.88 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.984 0.913 . . . . 64.43 111.362 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.466 HD21 HD23 ' A' ' 43' ' ' LEU . 86.2 mt -103.5 1.95 33.0 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.177 0.591 . . . . 74.23 112.555 -177.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.416 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 3.9 m-20 61.3 18.47 9.25 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.562 0.745 . . . . 75.43 112.745 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.643 HD13 ' SG ' ' A' ' 58' ' ' CYS . 47.9 mt -80.74 89.01 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.484 0 N-CA-C 108.531 -0.915 . . . . 70.22 108.531 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 104' ' ' LEU . 42.6 mtpt -69.19 -33.2 3.81 Favored Pre-proline 0 CA--C 1.554 1.128 0 CA-C-O 117.613 -1.184 . . . . 75.14 113.422 179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -48.06 -39.07 33.14 Favored 'Trans proline' 0 C--N 1.397 3.092 0 C-N-CA 121.976 1.784 . . . . 72.34 112.993 166.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 33.0 tp -81.26 -48.77 11.59 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.206 0.602 . . . . 75.11 111.069 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 101' ' ' LYS . 54.9 tp -56.88 -48.97 76.92 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.28 1.032 . . . . 70.13 111.278 -173.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 27.8 t70 -62.04 -50.69 70.99 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 114.551 -1.204 . . . . 75.05 110.643 -176.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.55 -45.45 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 O-C-N 124.214 0.946 . . . . 75.44 112.115 -176.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 91' ' ' LEU . 58.8 m -66.38 -46.78 75.5 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.553 0.341 . . . . 41.23 110.959 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.3 m -66.87 -29.41 69.31 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 115.705 -0.679 . . . . 65.24 111.191 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 105' ' ' ASP . 0.8 OUTLIER -72.5 -46.81 52.94 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 109.173 -0.677 . . . . 64.42 109.173 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.7 m -61.44 -50.04 74.38 Favored 'General case' 0 C--N 1.352 0.707 0 O-C-N 124.157 0.911 . . . . 74.11 111.302 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.7 p -64.52 -33.31 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 123.392 0.433 . . . . 73.23 110.767 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.84 -35.33 67.24 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 123.404 0.682 . . . . 73.24 111.125 175.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 116' ' ' ARG . 90.1 m-20 -72.67 -24.39 61.02 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.369 0.667 . . . . 64.21 111.478 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 46.4 mtm -63.88 -39.24 93.72 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.646 0.378 . . . . 72.41 110.639 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 31.9 pt -92.79 -22.72 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.304 0.642 . . . . 60.15 111.221 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.469 ' HB3' ' HA ' ' A' ' 113' ' ' ASN . 60.6 ttt180 -74.88 -48.25 25.8 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.252 1.021 . . . . 73.1 110.446 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.141 0 N-CA-C 110.687 -0.965 . . . . 38.08 110.687 -176.638 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 110.588 -0.152 . . . . 75.3 110.588 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 69.5 mt -91.2 120.61 32.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.457 0.703 . . . . 61.43 110.708 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 m -90.77 132.0 36.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 108.92 -0.77 . . . . 62.41 108.92 166.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.54 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 50.9 mttm -83.31 119.63 24.83 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 108.549 -0.908 . . . . 71.32 108.549 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 96.5 mt -120.69 103.29 9.0 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.171 0.589 . . . . 72.33 109.705 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -81.96 154.5 25.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.367 0.604 . . . . 62.11 110.346 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.9 p -92.03 -174.65 3.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.946 -1.025 . . . . 64.03 110.967 177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 68.7 p -64.05 -31.07 72.13 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 115.589 -0.732 . . . . 73.33 109.834 167.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.405 ' HB2' ' HB3' ' B' ' 48' ' ' SER . 3.5 m-20 -77.33 -2.65 36.01 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.638 1.175 . . . . 73.1 111.652 173.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 66.94 12.23 8.83 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 125.276 1.43 . . . . 74.51 113.274 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -73.84 128.48 35.64 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.51 -0.552 . . . . 75.52 109.51 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.76 117.98 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.257 1.023 . . . . 64.43 110.602 -175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -116.67 87.9 2.79 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.923 -0.769 . . . . 72.42 108.923 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.54 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 98.2 mt-10 -67.51 128.16 35.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.913 -1.039 . . . . 75.22 108.873 173.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' B' ' 55' ' ' LEU . 9.1 tt -143.04 149.04 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 108.238 -1.023 . . . . 74.24 108.238 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.13 132.83 55.2 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 109.91 -0.404 . . . . 70.42 109.91 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -60.85 -41.58 96.13 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.348 1.059 . . . . 73.44 111.392 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.43 -30.45 70.58 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.069 0.856 . . . . 70.14 112.076 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.563 HD13 ' HA ' ' B' ' 59' ' ' ARG . 43.7 mt -75.63 -40.96 41.07 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 CA-C-O 121.205 0.526 . . . . 74.42 109.656 174.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.411 ' HB1' HG21 ' B' ' 27' ' ' ILE . . . -71.77 -16.52 62.2 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.856 0.863 . . . . 52.24 112.263 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 97.0 m -73.78 -21.96 60.0 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.457 0.703 . . . . 44.24 112.275 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 20.6 mtm -64.77 -29.33 70.3 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.566 0.698 . . . . 62.31 110.161 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.7 t -71.76 110.87 6.59 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.731 -1.122 . . . . 75.44 108.029 164.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.02 -34.67 71.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 123.346 0.404 . . . . 54.3 110.528 -175.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 35.3 m -62.99 -49.36 74.99 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.024 0.53 . . . . 73.12 111.439 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.411 HG21 ' HB1' ' B' ' 21' ' ' ALA . 89.4 mt -64.96 -37.46 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.146 0.578 . . . . 63.34 109.836 178.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -61.17 -41.57 97.03 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.39 0.676 . . . . 74.14 110.14 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -69.12 -30.45 68.72 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.285 0.634 . . . . 75.25 111.03 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 67.7 mtt -67.09 -40.83 87.04 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.167 0.587 . . . . 64.13 109.823 173.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.2 -38.1 81.81 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.855 0.862 . . . . 73.32 110.632 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.94 -36.22 59.43 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.484 0.314 . . . . 74.15 111.704 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -78.84 -46.42 18.7 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 123.083 0.553 . . . . 72.23 111.62 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 57.5 mt -82.69 -18.42 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 123.667 0.787 . . . . 71.43 110.309 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.54 28.13 30.66 Favored Glycine 0 C--N 1.347 1.17 0 CA-C-N 116.156 -0.475 . . . . 63.43 111.986 -176.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 76.07 128.21 0.04 OUTLIER 'General case' 0 C--N 1.353 0.75 0 C-N-CA 126.433 1.893 . . . . 63.34 111.894 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 25.2 m -116.31 113.58 23.15 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 123.989 0.916 . . . . 74.2 109.621 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -73.35 -30.3 63.23 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 108.41 -0.959 . . . . 73.35 108.41 167.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.4 m -59.3 153.16 49.47 Favored Pre-proline 0 CA--C 1.557 1.231 0 CA-C-N 114.021 -1.445 . . . . 72.43 111.914 173.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.98 141.43 53.29 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 122.68 2.254 . . . . 73.41 113.03 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 48.2 mm -122.37 117.58 29.15 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.008 0.923 . . . . 61.13 108.85 -177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -81.15 141.46 12.97 Favored 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.173 1.915 . . . . 61.21 111.563 174.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.475 HD23 HD21 ' B' ' 98' ' ' LEU . 6.8 mp -109.87 92.7 13.1 Favored Pre-proline 0 CA--C 1.552 1.037 0 N-CA-C 107.641 -1.244 . . . . 75.13 107.641 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -82.15 68.14 7.92 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 123.038 2.492 . . . . 71.44 112.334 -174.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -166.91 -57.38 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.48 -0.782 . . . . 70.21 109.687 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.412 HG11 HD13 ' B' ' 51' ' ' LEU . 7.5 p -87.62 128.72 39.9 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-N 115.339 -0.846 . . . . 73.13 110.005 -174.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 72.0 p -71.67 166.55 21.69 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.663 0.785 . . . . 74.05 110.964 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.405 ' HB3' ' HB2' ' B' ' 10' ' ' ASP . 63.3 p -69.47 -38.31 77.65 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.729 0.641 . . . . 43.34 112.729 -173.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 23.4 p -64.54 -42.01 95.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.234 0.614 . . . . 74.42 110.777 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.445 ' O ' HG23 ' B' ' 54' ' ' VAL . 51.9 mm -74.07 -46.62 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 115.883 -0.598 . . . . 72.32 109.95 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.412 HD13 HG11 ' B' ' 46' ' ' VAL . 44.6 tp -64.48 -34.92 79.34 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.429 0.692 . . . . 74.44 111.288 -175.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -56.58 -49.24 75.44 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 123.53 0.519 . . . . 75.53 109.649 173.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -70.72 -34.31 71.77 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 124.31 1.006 . . . . 74.25 112.176 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 50' ' ' ILE . 55.7 t -66.01 -47.98 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.677 0.791 . . . . 72.14 109.763 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.599 ' HB3' HD12 ' B' ' 16' ' ' ILE . 76.7 mt -73.51 -28.55 61.96 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.418 -0.81 . . . . 75.52 111.159 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -74.43 -34.55 63.25 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.701 0.8 . . . . 64.13 111.155 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -69.17 -43.72 73.69 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.04 -0.726 . . . . 73.03 109.04 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.651 ' SG ' HD13 ' B' ' 100' ' ' ILE . 85.7 m -62.98 -41.98 99.71 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-N 115.32 -0.854 . . . . 65.33 110.555 175.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.563 ' HA ' HD13 ' B' ' 20' ' ' ILE . 44.2 ttp85 -59.55 -47.0 87.23 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.707 0.803 . . . . 74.12 109.837 178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -58.72 -47.66 83.81 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 114.355 -1.293 . . . . 72.3 111.229 176.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -73.1 -30.57 63.75 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.076 0.551 . . . . 64.24 111.911 -171.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -80.69 -46.32 15.75 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.768 0.427 . . . . 75.11 110.679 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -76.96 -33.45 57.65 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.553 -0.749 . . . . 64.31 110.86 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -126.47 91.19 48.14 Favored Pre-proline 0 CA--C 1.551 1.016 0 C-N-CA 124.198 0.999 . . . . 72.21 108.309 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.02 -24.67 41.04 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.46 2.773 . . . . 63.1 114.683 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.05 23.13 50.29 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-N 116.436 -0.347 . . . . 62.5 113.382 176.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.35 63.77 3.62 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 116.704 0.252 . . . . 72.11 112.788 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 70.0 m -148.31 85.21 1.52 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.05 0.94 . . . . 75.23 109.4 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.14 92.64 0.11 Allowed Glycine 0 C--N 1.349 1.262 0 CA-C-N 115.309 -0.86 . . . . 72.11 112.355 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 6.8 mp -78.47 69.17 4.62 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 108.501 -0.926 . . . . 62.22 108.501 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -178.46 -31.43 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.155 1.382 . . . . 75.13 109.264 -167.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -53.16 -46.76 69.02 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.716 1.206 . . . . 72.23 111.86 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.8 mm 58.61 88.49 0.12 Allowed Pre-proline 0 CA--C 1.553 1.068 0 C-N-CA 124.677 1.191 . . . . 63.13 109.616 -173.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' B' ' 75' ' ' PRO . 39.4 Cg_exo -58.13 129.2 31.88 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 122.616 2.211 . . . . 71.34 112.036 -177.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 74' ' ' PRO . 39.7 Cg_exo -58.24 -19.2 41.14 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 123.429 2.752 . . . . 73.44 113.18 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -61.43 -54.48 43.02 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.214 1.006 . . . . 73.23 110.074 173.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.51 -29.46 63.63 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.026 0.931 . . . . 75.22 111.399 -177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -74.77 -36.7 62.55 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.877 -0.601 . . . . 75.34 110.456 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.599 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 11.5 m-20 -77.37 -23.24 50.84 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 116.006 -0.543 . . . . 60.22 111.249 173.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.4 -40.44 94.37 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 109.683 -0.488 . . . . 74.3 109.683 168.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.43 0.75 15.95 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.013 0.925 . . . . 51.34 112.52 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.599 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 34.3 mmtp -75.74 86.69 2.76 Favored 'General case' 0 C--N 1.363 1.183 0 N-CA-C 108.638 -0.875 . . . . 73.51 108.638 170.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.521 HG11 HD11 ' B' ' 91' ' ' LEU . 14.5 m -136.61 152.31 29.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 C-N-CA 124.416 1.086 . . . . 70.21 108.777 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -75.67 169.97 17.09 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 109.175 -0.676 . . . . 74.12 109.175 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -56.26 -50.82 85.35 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 118.269 -0.872 . . . . 73.02 113.334 -175.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -63.19 -33.36 72.37 Favored 'Trans proline' 0 C--N 1.389 2.663 0 C-N-CA 121.595 1.53 . . . . 73.23 112.14 174.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . 0.478 ' HB ' ' HB ' ' B' ' 83' ' ' VAL . 4.2 m -69.4 -30.37 68.32 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 124.236 1.014 . . . . 53.52 111.498 -175.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.49 ' HG ' HG23 ' B' ' 83' ' ' VAL . 13.3 mt -54.39 -51.96 63.2 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 124.177 0.991 . . . . 75.34 109.974 170.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -68.91 -30.35 68.81 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.079 -0.964 . . . . 75.41 111.677 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -65.07 -36.41 84.24 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.842 0.457 . . . . 70.45 111.797 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.521 HD11 HG11 ' B' ' 83' ' ' VAL . 90.6 mt -69.21 -36.4 77.22 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 122.911 0.484 . . . . 74.35 110.608 175.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.5 -44.91 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.745 0.818 . . . . 75.14 110.241 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.63 -38.15 80.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.902 0.881 . . . . 73.0 111.141 -178.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.54 -38.81 71.0 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.434 0.693 . . . . 65.54 111.29 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.86 -29.97 64.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.367 0.667 . . . . 34.33 111.683 178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -73.04 -43.38 62.07 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.797 0.839 . . . . 54.1 109.92 173.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -64.02 -37.76 88.62 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.161 0.985 . . . . 70.42 111.174 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.475 HD21 HD23 ' B' ' 43' ' ' LEU . 86.1 mt -102.3 1.63 35.92 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.313 0.645 . . . . 73.12 112.408 -176.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 61.4 18.44 9.32 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 123.507 0.723 . . . . 54.21 112.89 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.651 HD13 ' SG ' ' B' ' 58' ' ' CYS . 48.2 mt -80.24 89.3 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.347 0.465 0 N-CA-C 108.538 -0.912 . . . . 64.24 108.538 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.462 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 42.0 mtpt -69.36 -33.19 3.7 Favored Pre-proline 0 CA--C 1.553 1.07 0 CA-C-O 117.616 -1.183 . . . . 71.45 113.445 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -47.96 -39.45 32.5 Favored 'Trans proline' 0 C--N 1.397 3.081 0 C-N-CA 121.941 1.76 . . . . 60.34 112.989 166.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 34.0 tp -80.96 -49.08 11.4 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.103 0.561 . . . . 75.21 110.957 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' B' ' 101' ' ' LYS . 54.6 tp -56.6 -48.54 77.19 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.399 1.079 . . . . 64.32 111.27 -173.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' B' ' 109' ' ' LYS . 29.1 t70 -62.23 -50.97 69.64 Favored 'General case' 0 C--O 1.22 -0.471 0 O-C-N 124.573 1.17 . . . . 61.2 110.702 -176.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 54.6 t -64.28 -45.36 96.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 O-C-N 124.109 0.88 . . . . 62.41 112.05 -176.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.494 HG21 ' HB2' ' B' ' 91' ' ' LEU . 57.0 m -66.58 -46.8 74.78 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.486 0.314 . . . . 75.44 111.039 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 72.9 m -67.03 -29.41 69.22 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.742 -0.663 . . . . 63.41 111.198 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' B' ' 105' ' ' ASP . 0.8 OUTLIER -72.28 -46.9 53.88 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 109.264 -0.643 . . . . 63.21 109.264 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 96.6 m -61.46 -50.41 72.88 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.206 0.941 . . . . 64.03 111.28 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.43 -33.56 63.68 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.06 0 O-C-N 123.428 0.455 . . . . 62.2 110.681 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.11 -35.52 69.19 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 123.242 0.617 . . . . 71.1 111.22 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.509 ' HA ' ' HB3' ' B' ' 116' ' ' ARG . 88.8 m-20 -72.5 -25.03 61.25 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.316 0.646 . . . . 73.33 111.28 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 48.0 mtm -63.21 -38.16 90.07 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.725 0.41 . . . . 75.32 110.712 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 29.8 pt -94.11 -23.18 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 123.131 0.572 . . . . 45.44 111.084 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . 0.509 ' HB3' ' HA ' ' B' ' 113' ' ' ASN . 60.2 ttt180 -74.68 -46.68 36.29 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.324 1.049 . . . . 75.33 110.813 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.252 0 N-CA-C 110.657 -0.977 . . . . 72.41 110.657 -176.649 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 110.221 -0.289 . . . . 61.12 110.221 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.45 118.44 9.41 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.266 0.626 . . . . 73.54 110.045 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 38' ' ' ASP . 21.9 m -69.28 121.22 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.472 0.653 . . . . 55.45 109.441 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.551 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 64.9 mttm -81.13 83.42 6.79 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 114.925 -1.034 . . . . 65.33 110.517 -171.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.2 mt -76.0 86.85 2.92 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.457 0.646 . . . . 74.43 110.161 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.16 113.63 16.28 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.708 -1.133 . . . . 70.44 109.751 -178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.8 p -72.91 175.2 6.79 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.601 0.76 . . . . 64.01 112.296 -176.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 t -61.17 -29.46 69.81 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.032 0.933 . . . . 74.33 110.892 172.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.4 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 32.4 t70 -87.95 11.95 14.54 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 124.059 0.944 . . . . 62.41 111.012 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 74.07 -2.39 2.8 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.667 1.587 . . . . 72.01 113.667 172.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -78.6 123.19 26.85 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 109.968 -0.382 . . . . 63.14 109.968 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.412 HG13 ' HB3' ' A' ' 5' ' ' LYS . 83.9 t -91.2 100.63 11.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.516 1.126 . . . . 24.05 110.619 -171.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -90.28 93.21 9.25 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.301 0.64 . . . . 75.53 110.166 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.551 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 46.3 mt-10 -74.1 83.97 1.81 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.258 -0.883 . . . . 75.24 109.962 176.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.3 tp -92.66 156.05 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.526 -0.916 . . . . 73.43 108.526 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.62 136.4 58.0 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 109.927 -0.397 . . . . 73.0 109.927 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -56.31 -41.23 75.64 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.056 0.942 . . . . 74.31 111.23 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -60.39 -32.32 71.2 Favored 'General case' 0 CA--C 1.552 1.041 0 O-C-N 124.234 0.959 . . . . 75.12 112.668 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 50.2 mt -81.18 -34.17 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.38 0.672 . . . . 73.53 110.052 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.19 -18.8 62.46 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.159 0.584 . . . . 44.43 111.52 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.1 m -71.32 -25.38 62.38 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.251 0.62 . . . . 71.44 111.636 174.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.459 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 86.6 mtp -61.02 -36.88 80.7 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.098 0.559 . . . . 72.33 110.311 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.491 ' HA ' HG12 ' A' ' 100' ' ' ILE . 47.4 t -68.79 109.41 3.85 Favored 'General case' 0 C--N 1.343 0.286 0 N-CA-C 108.41 -0.959 . . . . 74.12 108.41 168.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.465 ' HB ' ' HB2' ' A' ' 99' ' ' ASP . 95.5 t -61.97 -43.36 97.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 123.731 0.645 . . . . 73.44 110.595 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.0 m -63.47 -50.38 69.92 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.465 0.706 . . . . 64.43 111.914 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.54 -41.22 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 C-N-CA 122.807 0.443 . . . . 74.45 110.113 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -61.77 -40.04 93.76 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.593 0.558 . . . . 73.44 110.465 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -69.61 -29.45 66.97 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.771 0.428 . . . . 72.33 111.026 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.7 mtt -68.54 -39.55 81.06 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.195 0.598 . . . . 70.45 110.259 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.13 -52.94 52.61 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 124.042 0.937 . . . . 73.43 109.893 176.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.39 -28.95 69.63 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.575 1.15 . . . . 73.21 111.567 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.48 -44.07 97.27 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.724 0.81 . . . . 61.22 110.933 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.4 mt -91.13 10.63 2.86 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 C-N-CA 124.221 1.009 . . . . 72.22 109.403 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.95 -66.58 3.54 Favored Glycine 0 C--N 1.349 1.257 0 N-CA-C 109.547 -1.421 . . . . 65.32 109.547 -172.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -155.8 151.27 27.02 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 123.863 0.865 . . . . 71.11 109.157 168.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.6 m -143.9 89.21 2.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.521 0.729 . . . . 63.14 110.113 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.45 ' HA ' HG12 ' A' ' 4' ' ' VAL . 18.7 t70 -74.09 -27.04 60.7 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.215 1.006 . . . . 63.53 109.623 174.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.0 p -62.47 161.35 27.08 Favored Pre-proline 0 CA--C 1.565 1.549 0 C-N-CA 125.574 1.55 . . . . 75.13 112.641 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 9.4 Cg_endo -50.56 110.22 0.37 Allowed 'Trans proline' 0 C--N 1.391 2.779 0 C-N-CA 123.642 2.895 . . . . 73.04 114.851 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -89.79 112.55 52.66 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 108.732 -0.84 . . . . 75.01 108.732 173.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -82.49 129.51 5.8 Favored 'Trans proline' 0 C--N 1.369 1.627 0 C-N-CA 122.728 2.285 . . . . 64.44 111.656 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.62 88.92 4.63 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 108.094 -1.076 . . . . 52.35 108.094 171.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -75.19 -12.82 21.16 Favored 'Trans proline' 0 C--N 1.379 2.177 0 C-N-CA 122.729 2.286 . . . . 72.3 113.263 -173.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -78.2 -58.21 3.38 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.152 0.581 . . . . 72.22 110.344 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.2 p -89.06 135.66 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 CA-C-O 121.133 0.492 . . . . 63.52 111.235 -172.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.9 p -80.07 175.17 10.87 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.085 0.954 . . . . 73.41 111.336 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.4 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 64.2 p -66.24 -47.76 72.74 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.9 0.88 . . . . 64.14 112.555 -174.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.1 p -59.26 -43.43 92.47 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.691 0.796 . . . . 73.42 111.46 -175.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.526 HG23 HD23 ' A' ' 91' ' ' LEU . 46.4 mm -75.65 -47.94 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.242 -0.89 . . . . 72.42 110.276 -177.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.2 tp -61.77 -38.69 88.96 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.402 0.681 . . . . 64.02 111.185 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.19 -51.59 69.11 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.994 0.918 . . . . 63.53 110.61 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -61.9 -45.28 94.4 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 124.42 1.075 . . . . 54.3 111.35 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.28 -40.39 88.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 123.153 0.581 . . . . 75.25 111.143 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.1 mt -73.0 -35.17 66.78 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.018 0.527 . . . . 63.23 111.427 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -72.64 -32.64 66.05 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.278 0.631 . . . . 72.42 110.021 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -71.75 -46.85 57.15 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.163 0.585 . . . . 74.14 109.744 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.551 ' SG ' HG21 ' A' ' 100' ' ' ILE . 97.1 m -62.14 -32.0 72.54 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 123.759 0.662 . . . . 71.1 110.766 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.486 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 33.2 ttp180 -65.46 -45.94 81.8 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 123.551 0.532 . . . . 75.1 110.491 174.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -65.05 -35.29 80.68 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 123.273 0.358 . . . . 75.1 110.759 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -79.08 -15.84 57.61 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.368 0.667 . . . . 71.12 110.391 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.459 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 42.9 t60 -81.89 -35.36 29.31 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.222 0.609 . . . . 72.42 109.69 173.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 9.2 mm100 -71.05 -33.8 70.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 116.006 -0.543 . . . . 72.33 109.783 176.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -131.02 91.67 35.7 Favored Pre-proline 0 N--CA 1.475 0.819 0 N-CA-C 108.141 -1.059 . . . . 74.53 108.141 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -61.71 -14.62 37.11 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 123.032 2.488 . . . . 72.51 113.58 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.03 -42.47 0.07 OUTLIER Glycine 0 C--N 1.34 0.794 0 N-CA-C 111.338 -0.705 . . . . 51.42 111.338 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.92 133.51 5.66 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 111.982 -0.447 . . . . 54.21 111.982 -177.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.2 m -75.0 -5.63 45.02 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 123.164 0.586 . . . . 73.53 112.228 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.4 104.42 1.21 Allowed Glycine 0 C--N 1.348 1.211 0 O-C-N 123.577 0.548 . . . . 51.52 112.897 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.72 84.7 0.11 Allowed 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.784 0.833 . . . . 71.23 110.794 174.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.0 t70 65.38 9.25 5.56 Favored 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.987 1.315 . . . . 74.45 110.609 -172.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -92.5 93.65 8.67 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.327 1.051 . . . . 72.23 108.258 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.1 mt -72.55 119.17 73.59 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 114.384 -1.28 . . . . 74.41 109.3 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -60.86 148.69 91.5 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.712 2.275 . . . . 73.21 111.9 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.93 -35.73 61.39 Favored 'Trans proline' 0 C--N 1.38 2.214 0 C-N-CA 123.398 2.732 . . . . 65.02 113.761 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -56.27 -55.66 30.58 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 123.914 0.759 . . . . 73.35 110.739 175.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.74 -28.44 64.71 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 124.132 0.895 . . . . 74.13 110.912 -170.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -71.67 -51.03 25.15 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.533 0.733 . . . . 64.14 110.601 177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -71.42 -22.27 61.87 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.246 0.619 . . . . 51.35 111.454 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -59.24 -45.95 89.77 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.795 0.838 . . . . 73.31 110.058 174.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.549 ' HB3' HG21 ' A' ' 110' ' ' THR . 67.4 m -70.62 -18.22 62.88 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 114.694 -1.139 . . . . 71.41 111.699 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -80.65 77.43 7.48 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 121.821 0.819 . . . . 72.24 110.064 176.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.39 173.59 11.04 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 C-N-CA 124.531 1.132 . . . . 62.3 108.754 174.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.7 158.87 29.06 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.628 -0.508 . . . . 74.41 109.628 175.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -62.58 -42.71 80.92 Favored Pre-proline 0 CA--C 1.572 1.803 0 CA-C-O 118.276 -0.869 . . . . 74.01 112.367 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.24 -43.89 32.14 Favored 'Trans proline' 0 C--N 1.393 2.879 0 C-N-CA 121.944 1.763 . . . . 64.53 111.966 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.0 m -65.29 -29.88 70.68 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 124.189 0.996 . . . . 43.45 111.288 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.5 tt -67.92 -44.93 75.74 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.194 0.998 . . . . 73.42 108.782 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -68.21 -30.37 69.43 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 115.606 -0.724 . . . . 74.11 111.166 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -61.98 -40.54 95.96 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 122.906 0.483 . . . . 51.01 111.006 173.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.526 HD23 HG23 ' A' ' 50' ' ' ILE . 98.5 mt -65.55 -42.64 91.65 Favored 'General case' 0 CA--C 1.549 0.917 0 O-C-N 123.481 0.488 . . . . 71.44 110.289 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.2 mt -60.49 -42.43 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.631 0.772 . . . . 71.2 110.629 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 99.3 mt -73.41 -27.86 61.68 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.787 0.835 . . . . 72.33 111.264 -178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.55 -45.54 68.54 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.887 0.475 . . . . 63.22 109.901 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.51 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -70.81 -27.81 64.17 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.582 0.753 . . . . 75.44 111.52 177.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -69.75 -41.76 74.78 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.531 1.132 . . . . 71.44 109.589 175.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -74.77 -35.11 62.55 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.442 1.097 . . . . 74.25 111.825 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.9 mt -100.87 -4.74 27.22 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 112.552 0.575 . . . . 74.15 112.552 -174.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.465 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 65.8 m-20 55.42 31.22 16.45 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.79 1.236 . . . . 52.24 112.346 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.551 HG21 ' SG ' ' A' ' 58' ' ' CYS . 59.3 mt -79.78 94.73 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 N-CA-C 109.093 -0.706 . . . . 73.23 109.093 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -57.17 -43.31 99.19 Favored Pre-proline 0 CA--C 1.559 1.324 0 CA-C-O 117.119 -1.42 . . . . 61.24 112.682 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -49.35 -51.5 10.56 Favored 'Trans proline' 0 C--N 1.401 3.312 0 C-N-CA 122.491 2.127 . . . . 72.23 113.901 173.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.51 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.5 tm? -74.56 -41.05 61.22 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.133 0.573 . . . . 73.1 110.019 -174.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.491 HD11 HD11 ' B' ' 104' ' ' LEU . 43.6 tp -61.62 -47.47 85.26 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.808 0.843 . . . . 73.13 110.421 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.52 -52.58 65.04 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.044 -0.98 . . . . 64.14 110.66 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.7 t -69.11 -51.07 47.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 O-C-N 124.18 0.925 . . . . 64.25 112.413 -173.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.7 m -68.72 -40.34 79.96 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 122.725 0.41 . . . . 75.23 111.976 -171.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.5 m -70.87 -30.75 67.22 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 121.046 0.451 . . . . 73.32 110.94 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.424 ' HB2' ' HE3' ' A' ' 109' ' ' LYS . 34.9 ttmt -74.87 -31.93 61.74 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.577 0.751 . . . . 73.53 110.497 178.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.549 HG21 ' HB3' ' A' ' 81' ' ' CYS . 98.8 m -69.54 -46.28 66.82 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 123.344 0.658 . . . . 55.51 110.66 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.2 p -63.48 -31.92 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-O 120.956 0.408 . . . . 74.43 110.128 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.2 -46.74 79.47 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.463 -0.789 . . . . 63.24 110.587 171.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.4 -34.06 73.39 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 123.241 0.616 . . . . 74.44 111.545 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 110' ' ' THR . 36.6 mtm -67.9 -43.47 79.2 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.037 0.535 . . . . 65.2 111.194 -178.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.9 pt -75.69 -29.48 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 122.94 0.15 . . . . 73.0 110.783 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -77.41 88.5 3.79 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.302 0.641 . . . . 60.12 109.752 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 N-CA-C 110.547 -1.021 . . . . 44.44 110.547 174.922 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.288 -0.264 . . . . 44.43 110.288 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.62 119.5 11.25 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.603 0.761 . . . . 70.33 109.979 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' B' ' 38' ' ' ASP . 22.0 m -70.04 120.92 18.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 121.516 0.674 . . . . 71.03 109.711 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.549 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 65.5 mttm -80.52 83.85 6.24 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 114.814 -1.085 . . . . 72.13 110.403 -171.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -76.14 86.81 3.0 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 121.292 0.567 . . . . 74.05 110.16 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -77.66 113.92 15.99 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.973 -1.012 . . . . 73.44 109.566 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.3 p -72.85 175.6 6.39 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.404 0.682 . . . . 75.24 112.455 -176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 27.0 t -60.81 -29.95 69.78 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.926 -1.033 . . . . 65.22 110.999 172.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.417 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 32.9 t70 -88.87 13.68 12.1 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 124.358 1.063 . . . . 50.43 110.911 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 72.63 -2.31 2.7 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 125.577 1.551 . . . . 74.54 113.667 172.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -78.8 122.79 26.49 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 118.174 0.443 . . . . 65.41 109.818 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 93.2 t -90.31 103.71 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 124.54 1.136 . . . . 64.03 110.397 -172.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -93.13 92.82 7.96 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.71 0.804 . . . . 75.31 110.202 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.549 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 46.8 mt-10 -73.56 84.33 1.54 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.367 -0.833 . . . . 50.23 110.321 176.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.4 tp -93.16 155.95 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 108.533 -0.914 . . . . 41.4 108.533 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.9 135.73 57.69 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 109.717 -0.475 . . . . 74.54 109.717 174.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -55.54 -41.69 73.56 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.513 1.125 . . . . 75.33 111.176 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -59.22 -33.81 71.43 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.258 1.023 . . . . 74.23 112.407 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 50.0 mt -80.41 -34.22 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.557 0.743 . . . . 65.42 110.046 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.35 -18.69 62.36 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.291 0.637 . . . . 74.41 111.558 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 73.1 m -71.27 -25.2 62.35 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.04 0.536 . . . . 73.44 111.539 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . 0.438 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 86.1 mtp -61.7 -36.34 80.63 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 121.221 0.534 . . . . 73.23 110.266 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.498 ' HA ' HG12 ' B' ' 100' ' ' ILE . 47.3 t -69.04 109.02 3.78 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 108.316 -0.994 . . . . 53.42 108.316 168.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.492 ' HB ' ' HB2' ' B' ' 99' ' ' ASP . 91.6 t -61.5 -43.81 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 O-C-N 123.786 0.679 . . . . 73.31 110.609 -177.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 35.6 m -63.09 -50.28 71.16 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.417 0.687 . . . . 70.31 111.9 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 81.9 mt -62.6 -40.93 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 122.876 0.471 . . . . 72.5 110.272 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -62.06 -40.05 94.47 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 123.011 0.525 . . . . 73.24 110.412 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -69.43 -29.85 67.66 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 122.63 0.372 . . . . 73.24 111.195 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 66.0 mtt -68.16 -39.43 82.59 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.33 0.652 . . . . 75.5 110.248 174.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.407 HG23 ' H ' ' B' ' 37' ' ' SER . 97.4 mt -63.29 -52.85 53.23 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 124.011 0.924 . . . . 74.21 109.937 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -65.13 -28.73 69.63 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.481 1.112 . . . . 75.33 111.413 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -63.5 -43.52 96.97 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.648 0.779 . . . . 73.41 110.934 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 27.9 mt -91.53 9.26 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.185 0 CA-C-N 114.986 -1.006 . . . . 71.52 109.372 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.9 -65.79 3.2 Favored Glycine 0 C--N 1.347 1.147 0 N-CA-C 110.051 -1.22 . . . . 61.11 110.051 -173.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -157.0 149.32 23.1 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.714 0.805 . . . . 72.41 108.917 167.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.407 ' H ' HG23 ' B' ' 31' ' ' ILE . 74.6 m -142.37 89.62 2.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.489 0.716 . . . . 72.31 110.412 -179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.446 ' HA ' HG12 ' B' ' 4' ' ' VAL . 18.1 t70 -74.03 -27.84 61.14 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.123 0.969 . . . . 73.12 109.641 174.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.2 p -61.99 160.12 31.96 Favored Pre-proline 0 CA--C 1.564 1.483 0 C-N-CA 125.713 1.605 . . . . 75.44 112.735 179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.447 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 9.7 Cg_endo -49.71 110.42 0.37 Allowed 'Trans proline' 0 C--N 1.391 2.81 0 C-N-CA 123.677 2.918 . . . . 75.12 114.874 -177.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 49.6 mm -89.94 112.12 50.41 Favored Pre-proline 0 CA--C 1.545 0.786 0 N-CA-C 108.851 -0.796 . . . . 74.33 108.851 173.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -82.5 129.54 5.79 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 122.826 2.351 . . . . 72.32 111.405 177.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.41 88.99 4.47 Favored Pre-proline 0 CA--C 1.549 0.923 0 N-CA-C 108.071 -1.085 . . . . 71.2 108.071 171.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.41 -11.68 20.75 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.816 2.344 . . . . 62.55 113.415 -173.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -79.47 -57.3 3.76 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.349 0.659 . . . . 52.4 110.536 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 11.3 p -89.49 134.23 29.31 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.07 0 CA-C-N 115.984 -0.553 . . . . 72.13 111.235 -172.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 54.5 p -78.85 174.77 11.15 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.236 1.014 . . . . 74.3 111.158 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 77.9 p -66.69 -46.71 74.72 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.592 0.757 . . . . 70.32 112.488 -173.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 58.4 p -59.41 -43.41 93.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.642 0.777 . . . . 54.01 111.554 -175.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.533 HG23 HD23 ' B' ' 91' ' ' LEU . 46.1 mm -75.46 -47.92 32.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.23 -0.895 . . . . 51.43 110.34 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 50.0 tp -61.89 -39.35 91.65 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.349 0.66 . . . . 73.53 111.168 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.59 -51.49 69.29 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.156 0.982 . . . . 74.12 110.525 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -62.01 -44.96 95.61 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 114.843 -1.072 . . . . 74.13 111.536 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.8 -39.78 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 123.124 0.57 . . . . 72.54 111.029 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.95 -35.81 67.04 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.073 0.549 . . . . 74.23 111.403 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -72.58 -32.6 66.13 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.241 0.616 . . . . 73.13 110.162 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -71.52 -46.91 58.35 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.932 -0.576 . . . . 74.42 109.805 175.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.541 ' SG ' HG21 ' B' ' 100' ' ' ILE . 97.2 m -62.2 -31.64 72.19 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.78 0.675 . . . . 73.13 110.781 178.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 34.0 ttp180 -65.85 -45.88 80.53 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 123.614 0.571 . . . . 74.25 110.339 174.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -64.67 -35.47 81.13 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.32 0.388 . . . . 71.22 110.799 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -79.29 -15.5 57.86 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.669 0.787 . . . . 74.53 110.511 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . 0.438 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 45.7 t60 -81.66 -36.45 28.77 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.29 0.636 . . . . 72.22 109.596 172.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 8.8 mm100 -70.53 -34.38 72.22 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.652 0.595 . . . . 73.43 109.619 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -129.76 92.7 36.6 Favored Pre-proline 0 N--CA 1.474 0.728 0 N-CA-C 108.248 -1.019 . . . . 61.43 108.248 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -63.05 -11.62 25.75 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.145 2.563 . . . . 72.41 113.693 -177.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -144.49 -41.45 0.05 OUTLIER Glycine 0 C--N 1.342 0.912 0 N-CA-C 111.596 -0.602 . . . . 45.32 111.596 173.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.05 135.86 6.59 Favored Glycine 0 C--N 1.345 1.045 0 C-N-CA 123.187 0.422 . . . . 71.45 112.15 -177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 25.2 m -76.24 -5.93 49.13 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.665 0.786 . . . . 72.23 111.753 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.31 103.24 0.91 Allowed Glycine 0 C--N 1.348 1.202 0 CA-C-O 119.615 -0.547 . . . . 72.43 112.873 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.94 85.1 0.08 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.859 0.864 . . . . 45.5 110.698 173.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.9 t70 65.45 7.33 4.26 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.889 1.276 . . . . 63.22 110.707 -172.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -91.24 93.62 9.17 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.087 -1.079 . . . . 52.22 108.087 -173.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 65.0 mt -71.95 119.98 77.57 Favored Pre-proline 0 CA--C 1.547 0.859 0 CA-C-N 114.329 -1.305 . . . . 71.43 109.275 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.25 148.08 93.86 Favored 'Trans proline' 0 C--N 1.378 2.116 0 C-N-CA 122.653 2.235 . . . . 31.01 112.084 177.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.54 -34.61 52.88 Favored 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 123.539 2.826 . . . . 64.24 113.829 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -57.09 -55.92 28.41 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 123.039 0.535 . . . . 73.45 110.784 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.39 -28.22 64.92 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.074 0.95 . . . . 62.2 110.942 -170.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -71.87 -51.42 22.42 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.476 0.711 . . . . 70.42 110.625 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -71.17 -22.59 62.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.288 0.635 . . . . 74.32 111.509 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -59.07 -46.03 89.3 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.954 0.902 . . . . 62.01 109.992 174.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . 0.542 ' HB3' HG21 ' B' ' 110' ' ' THR . 69.9 m -70.52 -18.39 62.94 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 114.718 -1.128 . . . . 45.15 111.596 -178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -79.76 75.52 6.44 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 121.663 0.744 . . . . 74.43 110.684 177.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 m -123.7 174.3 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.183 0.993 . . . . 54.32 108.781 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -65.86 157.83 29.49 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 109.695 -0.483 . . . . 73.3 109.695 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -61.7 -43.03 86.66 Favored Pre-proline 0 CA--C 1.569 1.683 0 CA-C-O 118.428 -0.796 . . . . 74.15 112.281 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.39 -44.12 35.43 Favored 'Trans proline' 0 C--N 1.396 3.041 0 C-N-CA 121.858 1.705 . . . . 74.21 112.23 169.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 14.0 m -66.07 -29.42 69.75 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.98 0.912 . . . . 63.23 111.336 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.51 -45.12 76.71 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.154 0.981 . . . . 73.44 108.79 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -68.46 -30.35 69.19 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 115.631 -0.713 . . . . 74.23 111.093 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -61.99 -40.29 95.12 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.837 0.455 . . . . 72.24 111.027 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.533 HD23 HG23 ' B' ' 50' ' ' ILE . 98.3 mt -65.81 -42.61 90.44 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 123.575 0.547 . . . . 72.15 110.324 175.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.24 -42.32 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.596 0.758 . . . . 51.01 110.686 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.73 -27.67 61.31 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.67 0.788 . . . . 75.2 111.217 -178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.64 67.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 122.858 0.463 . . . . 75.44 109.789 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.505 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -70.47 -28.09 64.74 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.644 0.777 . . . . 71.21 111.441 177.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -69.9 -41.75 74.3 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.514 1.125 . . . . 62.52 109.431 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -74.74 -34.94 62.63 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.42 1.088 . . . . 72.44 111.646 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.99 -4.69 27.02 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 112.436 0.532 . . . . 72.33 112.436 -173.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.492 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 65.4 m-20 55.81 30.03 15.05 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.869 1.268 . . . . 74.01 112.526 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.541 HG21 ' SG ' ' B' ' 58' ' ' CYS . 60.0 mt -78.85 94.58 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 109.185 -0.672 . . . . 75.52 109.185 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -56.61 -42.94 98.84 Favored Pre-proline 0 CA--C 1.562 1.405 0 CA-C-O 117.222 -1.37 . . . . 72.41 112.975 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -49.4 -51.95 9.72 Favored 'Trans proline' 0 C--N 1.401 3.3 0 C-N-CA 122.613 2.209 . . . . 53.4 113.935 173.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.505 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.5 tm? -74.57 -40.81 61.41 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.148 0.579 . . . . 72.3 109.935 -174.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.491 HD11 HD11 ' A' ' 104' ' ' LEU . 42.9 tp -61.53 -47.63 84.7 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.78 0.832 . . . . 75.24 110.53 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.92 -52.58 65.15 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 114.957 -1.02 . . . . 70.12 110.695 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 76.1 t -68.32 -51.28 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 O-C-N 123.995 0.809 . . . . 75.15 112.31 -174.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 32.2 m -68.67 -40.05 80.31 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 122.792 0.437 . . . . 64.34 112.096 -171.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 72.8 m -71.24 -30.83 66.81 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 120.937 0.399 . . . . 64.32 111.014 176.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -74.81 -31.91 61.83 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.573 0.749 . . . . 71.12 110.568 177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . 0.542 HG21 ' HB3' ' B' ' 81' ' ' CYS . 99.7 m -69.3 -46.25 67.63 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 123.476 0.711 . . . . 61.53 110.647 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 6.7 p -63.87 -31.98 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-O 120.899 0.38 . . . . 75.35 110.101 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.05 78.32 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 115.435 -0.802 . . . . 73.31 110.571 171.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.01 -34.44 73.35 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 123.114 0.566 . . . . 62.1 111.318 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' B' ' 110' ' ' THR . 35.2 mtm -67.59 -43.85 79.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.082 0.553 . . . . 75.35 111.019 -178.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.0 pt -75.25 -29.47 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 122.225 0.21 . . . . 62.23 110.487 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 49.9 mmm-85 -77.69 89.43 3.97 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.09 0.556 . . . . 74.0 109.851 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.901 0 N-CA-C 110.494 -1.042 . . . . 74.22 110.494 174.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 m . . . . . 0 N--CA 1.473 0.692 0 CA-C-O 120.792 0.33 . . . . 74.11 110.278 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.501 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 84.0 mt -88.66 119.47 29.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.733 0.813 . . . . 74.04 109.752 177.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.2 m -79.15 127.22 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 CA-C-O 121.337 0.589 . . . . 75.14 109.853 173.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.496 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 65.3 mttm -79.94 91.82 5.47 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.309 1.044 . . . . 75.34 110.634 -173.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.6 HD21 HD13 ' A' ' 27' ' ' ILE . 10.7 mp -89.78 90.92 8.41 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.098 0.559 . . . . 75.04 109.739 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -77.65 126.3 30.67 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.697 -0.683 . . . . 73.21 109.331 175.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.1 p -79.18 174.71 11.29 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.053 0.941 . . . . 63.32 110.767 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.5 p -66.14 -21.03 66.32 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.323 0.649 . . . . 72.23 111.244 173.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.52 13.85 9.36 Favored 'General case' 0 CA--C 1.562 1.408 0 C-N-CA 123.848 0.859 . . . . 72.12 110.779 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 67.97 10.86 8.08 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 125.144 1.377 . . . . 44.32 113.057 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -90.34 122.45 33.24 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 109.58 -0.526 . . . . 61.51 109.58 -177.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.6 t -90.24 98.68 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 123.792 0.837 . . . . 75.44 110.204 -172.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -90.72 96.0 10.42 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.532 0.733 . . . . 75.31 109.45 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.501 ' HB3' ' HB3' ' A' ' 3' ' ' LEU . 39.3 mt-10 -78.89 85.29 4.87 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 114.95 -1.023 . . . . 73.35 109.888 178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.562 HD12 ' HB3' ' A' ' 55' ' ' LEU . 6.8 tt -86.45 156.11 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 123.612 0.765 . . . . 74.52 109.579 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.82 134.32 56.92 Favored 'General case' 0 C--O 1.244 0.792 0 C-N-CA 123.56 0.744 . . . . 73.23 109.587 175.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -63.08 -38.55 91.64 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.328 1.051 . . . . 62.1 112.508 -169.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -64.39 -31.13 72.21 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.206 0.603 . . . . 62.0 111.664 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 21.0 mt -81.54 -34.04 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 C-N-CA 123.652 0.781 . . . . 71.2 110.973 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.29 -27.72 69.53 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.105 0.562 . . . . 62.45 111.794 177.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 81.1 m -66.56 -22.17 66.15 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.046 0.938 . . . . 72.12 112.714 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.478 ' SD ' ' HB2' ' A' ' 62' ' ' HIS . 77.6 mtp -63.91 -25.55 68.2 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.159 0.584 . . . . 70.31 112.101 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 t -80.93 130.17 34.9 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.573 -0.899 . . . . 72.31 108.573 169.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 57.3 t -63.07 -51.99 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 123.579 0.549 . . . . 64.54 110.108 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 98' ' ' LEU . 87.8 m -60.88 -47.38 86.65 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 123.906 0.754 . . . . 74.12 112.023 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.6 HD13 HD21 ' A' ' 6' ' ' LEU . 83.6 mt -64.73 -42.54 95.28 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 122.541 0.337 . . . . 54.31 110.574 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -58.9 -47.58 84.48 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.461 0.704 . . . . 74.31 110.171 176.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -67.11 -30.41 70.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.342 1.057 . . . . 62.21 111.288 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.2 mmt -65.31 -50.51 65.4 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 109.475 -0.565 . . . . 72.23 109.475 175.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.57 -45.01 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.665 0.786 . . . . 70.22 110.248 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.71 -42.2 86.74 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.525 0.73 . . . . 70.23 111.828 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.34 -41.73 89.15 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.721 0.809 . . . . 72.3 110.759 -177.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.5 mt -71.14 -22.32 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 124.065 0.946 . . . . 63.43 110.515 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.67 17.37 60.16 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-N 116.344 -0.389 . . . . 61.43 112.334 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 75.63 116.52 0.06 Allowed 'General case' 0 C--N 1.353 0.724 0 C-N-CA 126.377 1.871 . . . . 75.04 110.633 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.4 m -144.56 150.24 37.16 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.132 0.973 . . . . 53.54 109.387 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -81.48 -3.35 52.79 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.334 0.654 . . . . 71.33 111.074 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 m -52.68 131.07 46.63 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.654 1.181 . . . . 75.12 111.436 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 33.3 Cg_exo -59.5 106.76 0.33 Allowed 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.633 2.222 . . . . 61.43 111.421 176.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.6 mm -66.62 110.2 4.54 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 124.108 0.963 . . . . 75.32 110.152 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -84.31 133.19 5.4 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.293 1.995 . . . . 75.5 111.556 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.3 mt -118.47 89.43 36.54 Favored Pre-proline 0 CA--C 1.547 0.863 0 N-CA-C 108.483 -0.932 . . . . 73.12 108.483 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -81.61 57.47 6.38 Favored 'Trans proline' 0 C--N 1.378 2.123 0 C-N-CA 123.516 2.81 . . . . 72.13 112.352 -174.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -159.88 -62.47 0.07 Allowed 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.493 -0.928 . . . . 74.23 108.493 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.02 124.21 37.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 115.623 -0.717 . . . . 75.21 110.018 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.5 p -76.96 175.08 9.88 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.916 0.886 . . . . 74.44 110.731 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 p -64.93 -46.64 80.8 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.853 0.461 . . . . 50.45 111.946 -175.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.9 p -61.39 -43.66 98.48 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.532 0.733 . . . . 73.31 111.222 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.631 HG23 HD23 ' A' ' 91' ' ' LEU . 51.8 mm -73.07 -44.57 56.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 115.737 -0.665 . . . . 73.33 110.409 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 tp -65.02 -34.09 77.61 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.947 0.499 . . . . 62.44 110.952 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.14 -50.58 72.38 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.037 0.935 . . . . 63.11 109.767 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.513 ' HD2' HD21 ' A' ' 91' ' ' LEU . 67.6 mttm -61.62 -48.31 81.47 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.31 1.006 . . . . 74.34 111.249 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.477 HG11 HD12 ' A' ' 98' ' ' LEU . 55.6 t -58.61 -49.03 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.256 -0.883 . . . . 71.34 111.015 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 16' ' ' ILE . 68.9 mt -71.13 -29.57 65.4 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.64 0.587 . . . . 74.53 111.976 -176.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -72.09 -40.05 68.49 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.174 0.589 . . . . 73.31 109.416 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -71.54 -37.4 71.14 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.296 0.638 . . . . 75.5 110.925 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 96.3 m -60.99 -39.53 90.01 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.569 0.543 . . . . 43.32 109.677 175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 44.3 ttm180 -61.68 -48.1 82.3 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 122.913 0.485 . . . . 60.03 110.85 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -54.46 -48.71 71.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.626 0.77 . . . . 73.24 111.635 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -75.09 -17.33 60.47 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 115.224 -0.898 . . . . 73.13 110.887 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.478 ' HB2' ' SD ' ' A' ' 23' ' ' MET . 16.9 t60 -80.92 -40.32 24.79 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.799 0.44 . . . . 65.42 110.16 176.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 10.9 mm100 -75.6 -27.88 58.66 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.454 0.702 . . . . 64.25 110.234 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -124.58 75.21 63.29 Favored Pre-proline 0 CA--C 1.551 1.013 0 N-CA-C 108.411 -0.959 . . . . 73.2 108.411 173.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -95.61 25.57 0.3 Allowed 'Trans proline' 0 C--N 1.382 2.326 0 C-N-CA 123.487 2.791 . . . . 71.34 112.829 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.73 -66.88 2.2 Favored Glycine 0 C--N 1.351 1.371 0 O-C-N 123.612 0.57 . . . . 74.11 112.136 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.46 -1.18 29.5 Favored Glycine 0 C--N 1.351 1.408 0 N-CA-C 114.354 0.502 . . . . 62.34 114.354 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.0 p -83.08 72.21 10.12 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.988 0.915 . . . . 53.5 109.652 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.35 -48.2 3.88 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 114.83 -1.077 . . . . 74.04 112.502 -174.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 pp 48.11 26.98 1.13 Allowed 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 126.173 1.789 . . . . 75.23 113.195 -173.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.22 -82.83 0.02 OUTLIER 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.09 1.356 . . . . 74.25 110.776 -175.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -148.66 163.76 36.35 Favored 'General case' 0 C--O 1.245 0.839 0 N-CA-C 107.439 -1.319 . . . . 73.15 107.439 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 38.8 mm -58.73 116.16 14.38 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 123.042 0.537 . . . . 61.23 110.528 177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -59.74 154.11 51.56 Favored 'Trans proline' 0 C--N 1.379 2.155 0 C-N-CA 123.152 2.568 . . . . 62.02 112.945 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -50.65 -37.98 54.54 Favored 'Trans proline' 0 C--N 1.38 2.211 0 C-N-CA 123.843 3.029 . . . . 72.24 113.267 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -53.3 -50.91 63.94 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.912 0.757 . . . . 73.22 111.66 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.22 -33.38 74.31 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.844 0.857 . . . . 74.21 111.023 -172.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -64.39 -49.02 73.24 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.454 -0.794 . . . . 63.32 109.975 173.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.85 -23.47 63.29 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.553 -0.748 . . . . 64.41 112.182 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -64.74 -42.68 95.02 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.752 0.821 . . . . 72.23 109.59 172.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.422 ' HB3' HG21 ' A' ' 110' ' ' THR . 84.9 m -79.2 -17.68 54.4 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 115.017 -0.992 . . . . 72.22 111.946 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -76.33 82.22 3.09 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 109.406 -0.59 . . . . 71.1 109.406 174.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.1 m -126.45 175.62 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.05 0.94 . . . . 61.13 109.722 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.49 151.4 46.46 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 109.163 -0.681 . . . . 71.44 109.163 175.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -53.36 61.06 Favored Pre-proline 0 CA--C 1.568 1.67 0 CA-C-O 118.374 -0.822 . . . . 72.22 112.167 -164.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.484 ' HA ' HD12 ' B' ' 115' ' ' ILE . 36.5 Cg_endo -66.5 -30.27 43.73 Favored 'Trans proline' 0 C--N 1.387 2.563 0 CA-C-N 121.557 1.592 . . . . 71.14 113.072 172.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.3 m -61.31 -31.29 71.14 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.947 0.899 . . . . 72.0 111.372 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.69 -43.22 98.02 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.806 0.842 . . . . 50.24 109.413 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.502 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 41.7 m-85 -74.63 -31.1 61.88 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.633 -0.712 . . . . 70.14 111.706 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 37.2 mm-40 -63.84 -32.01 73.38 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.858 0.463 . . . . 63.22 110.33 173.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.631 HD23 HG23 ' A' ' 50' ' ' ILE . 69.7 mt -71.49 -36.78 71.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.83 0.852 . . . . 71.34 111.264 172.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.0 mt -63.68 -43.08 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 123.428 0.691 . . . . 75.23 110.005 174.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 84.2 mt -69.56 -37.78 77.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.686 0.795 . . . . 64.31 110.662 -177.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.97 -32.3 61.66 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.564 0.746 . . . . 70.14 111.616 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.504 ' HB2' HD22 ' A' ' 103' ' ' LEU . . . -74.21 -28.51 61.29 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.125 0.57 . . . . 75.2 111.08 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -78.84 -36.74 41.99 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.697 0.799 . . . . 55.31 110.287 171.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -65.63 -37.93 87.98 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.554 1.142 . . . . 71.42 111.129 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.477 HD12 HG11 ' A' ' 54' ' ' VAL . 87.9 mt -100.68 -9.33 21.96 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.818 0.847 . . . . 75.45 111.088 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.496 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 29.9 t0 59.57 37.19 22.76 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.346 1.458 . . . . 71.11 112.35 173.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.6 mt -83.41 105.12 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.806 -0.813 . . . . 64.43 108.806 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -59.13 -48.66 96.04 Favored Pre-proline 0 CA--C 1.565 1.554 0 CA-C-O 117.931 -1.033 . . . . 72.13 112.602 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.81 -50.7 10.83 Favored 'Trans proline' 0 C--N 1.402 3.354 0 C-N-CA 122.324 2.016 . . . . 75.03 112.679 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.504 HD22 ' HB2' ' A' ' 95' ' ' ALA . 3.6 tt -65.22 -43.97 89.76 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.945 0.498 . . . . 73.33 110.23 -175.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.565 HD21 HD21 ' B' ' 104' ' ' LEU . 40.5 tp -63.04 -41.7 99.56 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.154 0.582 . . . . 54.14 110.666 -178.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.94 -53.08 35.33 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 123.55 0.532 . . . . 53.52 110.187 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.58 -47.41 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.782 0.833 . . . . 75.23 111.66 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 33.0 m -72.13 -39.89 68.5 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.83 0.452 . . . . 73.34 111.701 -175.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 82.6 m -67.45 -30.88 70.72 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.492 0.317 . . . . 72.42 111.121 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -71.71 -39.13 70.36 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.236 0.614 . . . . 60.35 110.188 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.422 HG21 ' HB3' ' A' ' 81' ' ' CYS . 98.8 m -57.03 -48.01 79.53 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.208 0.603 . . . . 74.02 111.413 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.443 HG21 ' CZ ' ' A' ' 89' ' ' PHE . 7.7 p -72.75 -35.15 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 CA-C-N 116.344 -0.389 . . . . 72.1 111.219 177.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 116' ' ' ARG . . . -60.83 -48.03 83.67 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 123.144 0.578 . . . . 60.42 111.024 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -59.72 -28.42 67.33 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 123.95 0.9 . . . . 74.4 112.392 -173.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 43.1 mtm -66.78 -43.83 82.95 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.175 0.59 . . . . 72.2 110.372 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.5 pt -101.38 -2.95 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.057 0.943 . . . . 74.45 111.84 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' A' ' 112' ' ' ALA . 1.8 tmt_? -96.98 41.13 1.12 Allowed 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 108.14 -1.059 . . . . 70.14 108.14 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.509 0 N-CA-C 116.206 1.242 . . . . 50.14 116.206 178.089 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.055 0.455 . . . . 71.13 110.641 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.506 ' HB3' ' HB3' ' B' ' 15' ' ' GLU . 88.0 mt -88.86 118.73 28.78 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.288 -0.869 . . . . 55.34 109.811 178.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.2 m -78.86 126.44 38.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 CA-C-O 121.204 0.526 . . . . 64.42 109.914 173.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.508 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 64.6 mttm -78.84 92.09 4.82 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.336 1.054 . . . . 74.11 110.736 -174.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.598 HD21 HD13 ' B' ' 27' ' ' ILE . 10.6 mp -89.73 91.03 8.48 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.619 -0.511 . . . . 73.51 109.619 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -77.9 126.6 31.08 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.749 -0.66 . . . . 75.22 109.51 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.2 p -79.46 175.63 10.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.983 0.913 . . . . 63.23 110.752 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.2 p -67.24 -21.02 65.75 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.492 0.717 . . . . 71.02 111.491 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -87.43 13.56 9.76 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 123.981 0.912 . . . . 63.25 110.732 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 68.2 10.9 8.12 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.109 1.364 . . . . 73.12 113.07 173.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -90.62 122.6 33.55 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.853 0.461 . . . . 72.35 109.82 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 48.8 t -89.78 98.05 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 123.997 0.919 . . . . 74.31 110.596 -173.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -90.32 96.76 10.82 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.501 0.72 . . . . 73.34 109.242 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.508 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 39.5 mt-10 -80.52 84.73 6.06 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.372 -0.831 . . . . 72.15 109.798 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' B' ' 55' ' ' LEU . 6.7 tt -85.72 155.92 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 CA-C-N 115.637 -0.71 . . . . 53.23 109.621 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.05 133.51 56.16 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 123.574 0.75 . . . . 75.11 109.759 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -62.1 -39.2 91.69 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.466 1.106 . . . . 70.34 112.52 -169.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.72 -31.38 72.53 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.346 0.658 . . . . 71.13 111.873 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mt -81.66 -33.6 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.704 0.802 . . . . 75.4 110.907 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.68 69.4 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.011 0.524 . . . . 65.5 111.849 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 64.2 m -66.62 -22.68 66.11 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 124.126 0.971 . . . . 55.3 112.63 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . 0.47 ' SD ' ' HB2' ' B' ' 62' ' ' HIS . 80.3 mtp -62.4 -29.64 70.64 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.289 0.635 . . . . 64.44 111.87 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.422 ' HA ' HG12 ' B' ' 100' ' ' ILE . 29.1 t -77.66 129.36 35.47 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.61 -0.885 . . . . 54.02 108.61 170.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 58.5 t -63.83 -50.52 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 123.705 0.628 . . . . 72.13 110.133 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.425 ' HB ' ' HA ' ' B' ' 98' ' ' LEU . 87.4 m -61.43 -47.99 83.24 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.341 0.656 . . . . 72.53 112.091 -177.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.598 HD13 HD21 ' B' ' 6' ' ' LEU . 83.2 mt -64.25 -42.37 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 122.623 0.369 . . . . 61.11 110.497 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -59.08 -47.6 84.65 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.364 0.665 . . . . 64.15 110.276 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -66.91 -30.4 70.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.181 0.992 . . . . 73.44 111.31 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 21.9 mmt -65.1 -50.47 65.98 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 109.605 -0.517 . . . . 64.32 109.605 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 78.5 mt -59.05 -44.65 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.649 0.78 . . . . 74.43 110.225 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -66.54 -41.71 88.29 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.36 0.664 . . . . 62.42 111.628 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.64 -42.15 82.74 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 123.692 0.797 . . . . 71.3 110.741 -176.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 86.4 mt -69.84 -23.04 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.105 0 CA-C-N 115.019 -0.991 . . . . 74.33 110.471 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.71 18.62 58.05 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.208 -0.451 . . . . 71.45 112.261 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 74.7 114.95 0.06 Allowed 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.328 1.851 . . . . 74.21 111.114 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 66.2 m -143.38 151.0 39.9 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 124.284 1.034 . . . . 64.03 109.567 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -81.1 -5.11 57.27 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.594 0.758 . . . . 64.32 111.064 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 25.4 m -51.86 131.04 38.65 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.384 1.073 . . . . 64.31 111.457 176.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 32.4 Cg_exo -59.62 106.37 0.31 Allowed 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.755 2.303 . . . . 71.22 111.726 177.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 45.5 mm -66.54 109.77 3.88 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 124.118 0.967 . . . . 74.12 110.099 -177.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -84.65 132.69 4.96 Favored 'Trans proline' 0 C--N 1.373 1.861 0 C-N-CA 122.314 2.009 . . . . 72.41 111.281 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.4 mt -117.7 89.71 33.82 Favored Pre-proline 0 CA--C 1.55 0.95 0 N-CA-C 108.701 -0.851 . . . . 64.52 108.701 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -81.38 57.4 6.41 Favored 'Trans proline' 0 C--N 1.38 2.202 0 C-N-CA 123.722 2.948 . . . . 71.23 112.585 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -159.83 -63.69 0.07 Allowed 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 108.326 -0.99 . . . . 72.41 108.326 -175.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -78.7 124.33 36.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 CA-C-N 115.817 -0.629 . . . . 65.24 110.175 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 73.8 p -76.54 175.1 9.56 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.888 0.875 . . . . 43.51 110.972 -178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 71.1 p -65.22 -46.1 82.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.943 0.497 . . . . 74.2 111.897 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.402 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 35.2 p -61.1 -43.86 98.24 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.521 0.729 . . . . 72.21 111.188 -178.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.631 HG23 HD23 ' B' ' 91' ' ' LEU . 51.7 mm -73.67 -44.66 52.44 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 115.689 -0.687 . . . . 64.32 110.404 -175.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 33.1 tp -64.79 -34.08 77.5 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.039 0.536 . . . . 64.15 110.753 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.0 -51.41 69.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.916 0.886 . . . . 71.1 109.357 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.53 ' HD2' HD21 ' B' ' 91' ' ' LEU . 67.4 mttm -60.58 -48.8 80.15 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.294 -0.867 . . . . 73.14 111.303 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.486 HG11 HD12 ' B' ' 98' ' ' LEU . 55.5 t -58.33 -49.4 82.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 O-C-N 124.323 1.014 . . . . 73.31 111.084 -174.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.561 ' HB3' HD12 ' B' ' 16' ' ' ILE . 68.7 mt -70.62 -29.42 65.8 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.222 0.609 . . . . 65.31 112.061 -175.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -72.48 -39.75 67.46 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.4 0.68 . . . . 74.13 109.694 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -72.11 -37.2 69.55 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.699 -0.682 . . . . 74.35 111.009 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 95.3 m -60.99 -39.84 91.21 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.632 0.582 . . . . 72.55 109.664 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.47 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 45.0 ttm180 -61.52 -47.87 83.62 Favored 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.414 0.446 . . . . 74.12 110.852 175.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -54.58 -48.77 71.7 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.625 0.77 . . . . 72.34 111.581 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -74.95 -16.87 60.63 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 115.245 -0.889 . . . . 74.43 111.019 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . 0.47 ' HB2' ' SD ' ' B' ' 23' ' ' MET . 15.7 t60 -82.09 -38.45 24.84 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.974 0.51 . . . . 71.44 110.497 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 10.6 mm100 -76.29 -27.96 56.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.46 0.704 . . . . 70.24 110.162 -179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -125.46 76.49 69.11 Favored Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 108.408 -0.96 . . . . 75.11 108.408 173.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -96.72 28.48 0.19 Allowed 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 123.488 2.792 . . . . 54.33 112.642 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.76 -66.53 2.25 Favored Glycine 0 C--N 1.35 1.336 0 N-CA-C 111.684 -0.567 . . . . 71.2 111.684 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.05 -1.6 23.64 Favored Glycine 0 C--N 1.35 1.336 0 N-CA-C 114.422 0.529 . . . . 63.44 114.422 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.6 p -82.66 74.09 9.65 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 124.192 0.997 . . . . 72.51 109.262 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.24 -47.92 3.93 Favored Glycine 0 CA--C 1.533 1.182 0 CA-C-N 114.981 -1.009 . . . . 50.44 112.675 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp 47.03 26.71 0.65 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 126.539 1.936 . . . . 72.33 113.294 -173.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 63.15 -82.54 0.02 OUTLIER 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.197 1.399 . . . . 60.43 110.486 -175.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -147.98 164.56 33.4 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.802 1.241 . . . . 70.12 107.751 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 37.8 mm -59.78 115.94 14.85 Favored Pre-proline 0 CA--C 1.553 1.063 0 O-C-N 123.895 0.747 . . . . 44.4 110.314 177.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.9 152.61 56.59 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.188 2.592 . . . . 71.23 112.932 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -49.0 -39.64 40.59 Favored 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 123.554 2.836 . . . . 70.03 113.24 176.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -52.27 -51.09 60.48 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.463 0.705 . . . . 73.41 111.742 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.48 -32.94 74.12 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.866 0.866 . . . . 62.32 111.242 -172.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -64.95 -48.45 74.02 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.408 -0.815 . . . . 52.11 109.975 173.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -70.34 -23.65 62.85 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 123.837 0.71 . . . . 70.22 111.915 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -64.57 -42.31 95.72 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.639 0.776 . . . . 63.44 109.652 172.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . 0.401 ' HB3' HG21 ' B' ' 110' ' ' THR . 73.8 m -80.06 -15.49 57.06 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.169 -0.923 . . . . 55.34 111.887 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -77.9 83.37 4.23 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 109.388 -0.597 . . . . 63.34 109.388 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 24.7 m -127.91 175.44 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.149 0.98 . . . . 71.11 109.934 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.9 151.21 46.23 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.605 0.762 . . . . 72.24 109.244 175.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -54.79 49.21 Favored Pre-proline 0 CA--C 1.567 1.602 0 CA-C-O 118.378 -0.82 . . . . 64.23 112.218 -165.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.418 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 38.1 Cg_endo -66.69 -29.43 43.1 Favored 'Trans proline' 0 C--N 1.387 2.574 0 CA-C-N 121.585 1.602 . . . . 73.03 112.621 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -60.84 -31.38 70.82 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 124.043 0.937 . . . . 75.32 111.39 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.13 -43.19 99.27 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.133 0.973 . . . . 74.31 109.392 175.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.461 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 48.8 m-85 -73.81 -31.09 63.07 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.563 -0.744 . . . . 51.31 111.552 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 37.2 mm-40 -64.15 -32.25 73.75 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.931 0.492 . . . . 71.51 110.492 174.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.631 HD23 HG23 ' B' ' 50' ' ' ILE . 70.2 mt -71.34 -36.97 71.71 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.879 0.871 . . . . 73.22 111.215 172.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 77.0 mt -63.53 -43.78 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 C-N-CA 123.51 0.724 . . . . 72.51 109.999 174.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 90.0 mt -69.24 -37.26 77.9 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.767 0.827 . . . . 74.23 110.625 -177.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.09 -32.33 61.42 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.388 0.675 . . . . 52.4 111.586 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.506 ' HB2' HD22 ' B' ' 103' ' ' LEU . . . -74.47 -28.82 61.19 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.073 0.549 . . . . 72.23 111.174 178.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -78.35 -36.85 45.59 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.637 0.775 . . . . 71.34 110.199 170.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -65.06 -38.09 89.68 Favored 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 124.192 0.997 . . . . 64.51 111.22 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.486 HD12 HG11 ' B' ' 54' ' ' VAL . 89.7 mt -100.5 -8.77 22.77 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.817 0.847 . . . . 71.0 111.112 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.495 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 24.0 t0 59.73 35.85 22.24 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.449 1.5 . . . . 64.41 112.105 173.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' B' ' 24' ' ' SER . 54.8 mt -82.59 105.81 12.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 108.788 -0.819 . . . . 74.14 108.788 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.414 ' HB2' ' HD3' ' B' ' 102' ' ' PRO . 72.9 mmtt -59.28 -49.51 92.33 Favored Pre-proline 0 CA--C 1.566 1.564 0 CA-C-O 118.202 -0.904 . . . . 71.53 112.724 -174.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . 0.414 ' HD3' ' HB2' ' B' ' 101' ' ' LYS . 50.9 Cg_exo -56.7 -50.52 11.46 Favored 'Trans proline' 0 C--N 1.401 3.302 0 C-N-CA 122.315 2.01 . . . . 75.12 112.695 178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' B' ' 95' ' ' ALA . 3.6 tt -65.32 -43.99 89.25 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.979 0.512 . . . . 75.2 110.195 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.565 HD21 HD21 ' A' ' 104' ' ' LEU . 39.9 tp -63.34 -41.56 98.87 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.197 0.599 . . . . 74.1 110.673 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -67.24 -52.2 43.83 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 123.591 0.557 . . . . 70.32 110.286 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 54.3 t -58.65 -47.85 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.816 0.847 . . . . 73.32 111.75 -176.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 33.6 m -71.79 -40.05 69.47 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 122.839 0.456 . . . . 74.5 111.648 -175.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 78.5 m -67.52 -30.78 70.53 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.569 0.348 . . . . 64.21 111.173 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -71.49 -38.75 71.15 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.112 0.565 . . . . 73.4 110.285 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . 0.401 HG21 ' HB3' ' B' ' 81' ' ' CYS . 99.2 m -57.18 -47.85 80.22 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.082 0.553 . . . . 72.54 111.319 -178.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.02 -34.28 38.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 115.946 -0.57 . . . . 65.54 111.168 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' B' ' 116' ' ' ARG . . . -61.7 -47.49 85.05 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 123.105 0.562 . . . . 73.4 111.045 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -59.28 -28.27 66.59 Favored 'General case' 0 N--CA 1.493 1.697 0 C-N-CA 123.921 0.888 . . . . 75.35 112.257 -173.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 44.5 mtm -67.23 -44.23 79.99 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.421 0.689 . . . . 75.43 110.417 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 86' ' ' PRO . 27.9 pt -101.29 -7.78 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 115.179 -0.919 . . . . 63.52 112.432 -172.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' B' ' 112' ' ' ALA . 2.2 tmt_? -81.48 -9.33 59.73 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.279 0.631 . . . . 61.32 110.112 -175.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 118.555 2.182 . . . . 55.52 118.555 174.714 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 110.338 -0.245 . . . . 44.31 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.3 mt -80.0 128.76 33.87 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.376 0.67 . . . . 74.33 109.643 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 m -89.49 127.31 42.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-O 121.361 0.601 . . . . 62.05 109.468 175.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.554 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 60.6 mttp -82.88 109.08 16.69 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.332 1.053 . . . . 74.3 110.317 -175.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.521 HD21 HD13 ' A' ' 27' ' ' ILE . 11.3 mp -105.48 99.02 8.64 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.199 0.6 . . . . 63.41 109.395 177.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -79.06 124.18 28.04 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.24 -0.652 . . . . 65.33 109.24 174.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 p -82.2 179.96 7.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.553 0.741 . . . . 65.34 111.163 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 m -68.19 -17.93 64.45 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.045 0.938 . . . . 75.3 111.72 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.545 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 31.1 t70 -95.15 14.76 21.01 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.924 0.89 . . . . 74.54 110.163 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 67.02 12.97 9.29 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 124.781 1.232 . . . . 64.25 112.931 175.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -92.28 121.86 34.19 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.146 0.579 . . . . 73.51 110.049 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.5 t -90.21 119.85 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 123.786 0.834 . . . . 71.43 109.492 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -112.01 104.14 12.38 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 124.051 0.94 . . . . 74.13 108.497 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 32.8 mt-10 -82.93 78.5 9.5 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.725 0.81 . . . . 62.25 109.58 -177.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.454 HD12 ' HB3' ' A' ' 55' ' ' LEU . 6.2 tt -79.75 149.54 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 115.308 -0.86 . . . . 71.31 109.735 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -57.66 124.51 19.34 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.936 0.894 . . . . 72.42 109.697 171.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -55.57 -41.81 73.86 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.102 0.961 . . . . 63.44 112.022 -173.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.05 -35.11 70.86 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.158 0.983 . . . . 51.44 111.573 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.59 HD13 ' HA ' ' A' ' 59' ' ' ARG . 51.6 mt -81.72 -35.22 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-N 114.951 -1.022 . . . . 72.45 110.78 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.76 -17.86 64.68 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.414 0.685 . . . . 71.31 111.739 175.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 70.9 m -70.17 -23.69 63.02 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.853 0.861 . . . . 65.32 112.632 176.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.0 mtm -66.44 -29.97 70.22 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 121.085 0.469 . . . . 71.34 110.545 176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.581 ' HA ' HG12 ' A' ' 100' ' ' ILE . 48.1 t -76.26 114.54 15.05 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 108.109 -1.071 . . . . 72.53 108.109 168.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 35.7 t -63.43 -47.66 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 O-C-N 123.672 0.608 . . . . 64.12 110.437 -175.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.3 m -62.55 -49.8 73.88 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.267 0.627 . . . . 60.34 112.106 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.521 HD13 HD21 ' A' ' 6' ' ' LEU . 97.6 mt -61.5 -43.46 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 123.072 0.549 . . . . 70.43 110.312 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 23.3 ttpp -59.01 -45.33 90.94 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.485 0.714 . . . . 74.45 110.483 176.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -69.28 -30.3 68.36 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.406 0.682 . . . . 72.22 111.368 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.2 mtt -63.76 -47.0 82.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.244 0.618 . . . . 75.23 109.542 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.82 -44.53 98.21 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.892 0.877 . . . . 64.22 110.259 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -65.94 -40.35 91.29 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.58 0.752 . . . . 75.15 111.466 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -66.02 -44.19 85.45 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.782 0.833 . . . . 73.03 110.524 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.2 mm -66.9 -32.01 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.502 0.721 . . . . 62.44 110.108 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.15 16.98 65.89 Favored Glycine 0 C--N 1.348 1.236 0 N-CA-C 111.349 -0.701 . . . . 53.24 111.349 -169.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 71.92 141.05 0.05 Allowed 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.436 1.894 . . . . 64.31 111.139 -175.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.5 t -150.1 160.91 43.29 Favored 'General case' 0 C--O 1.244 0.77 0 C-N-CA 123.268 0.627 . . . . 73.33 109.386 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -76.05 -12.98 60.22 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.5 -0.773 . . . . 42.55 110.51 172.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.9 m -64.98 123.91 85.18 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 123.469 0.708 . . . . 65.14 110.696 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -59.07 117.84 4.64 Favored 'Trans proline' 0 C--N 1.374 1.911 0 C-N-CA 122.834 2.356 . . . . 74.13 111.846 173.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.75 110.51 3.5 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 123.686 0.794 . . . . 73.34 109.736 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -90.01 116.61 0.64 Allowed 'Trans proline' 0 C--N 1.375 1.965 0 C-N-CA 122.635 2.223 . . . . 71.12 111.902 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -98.25 100.46 9.06 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 108.593 -0.891 . . . . 71.33 108.593 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -87.77 41.86 0.71 Allowed 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 123.309 2.673 . . . . 74.33 112.549 -174.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -140.05 -54.2 0.53 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.769 0.827 . . . . 74.24 109.368 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.404 HG11 HD13 ' A' ' 51' ' ' LEU . 12.6 p -88.49 130.58 37.77 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 123.182 0.593 . . . . 72.23 110.782 -174.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.3 p -78.64 175.27 10.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.232 1.013 . . . . 74.43 111.092 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.545 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 52.0 p -63.29 -48.49 77.89 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.784 0.661 . . . . 53.22 112.784 -174.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 58.3 p -65.79 -39.98 91.49 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.121 0.568 . . . . 71.12 110.95 -176.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.582 HG23 HD23 ' A' ' 91' ' ' LEU . 50.2 mm -74.8 -41.95 47.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.764 -0.653 . . . . 50.21 110.397 -176.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 6' ' ' LEU . 44.7 tp -66.63 -44.53 81.76 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 109.83 -0.433 . . . . 62.2 109.83 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -55.16 -45.5 75.69 Favored 'General case' 0 N--CA 1.484 1.251 0 O-C-N 123.82 0.7 . . . . 73.14 110.303 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 49' ' ' THR . 25.1 tttp -66.56 -46.52 75.77 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 114.055 -1.43 . . . . 74.11 110.559 -173.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.425 HG11 HD12 ' A' ' 98' ' ' LEU . 55.3 t -63.09 -47.91 90.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.106 0.879 . . . . 41.1 110.719 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.459 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 82.5 mt -65.17 -42.59 93.55 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.707 0.629 . . . . 75.44 110.945 -177.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.44 -32.81 66.61 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.697 0.799 . . . . 71.34 110.72 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.448 ' HA ' ' HE2' ' A' ' 76' ' ' TYR . 78.4 t80 -62.76 -45.67 91.62 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.532 -0.758 . . . . 75.33 110.282 171.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 99.2 m -63.55 -37.25 86.6 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 124.222 0.951 . . . . 62.01 110.577 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.59 ' HA ' HD13 ' A' ' 20' ' ' ILE . 75.3 mtp180 -67.49 -47.91 68.65 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.07 0.548 . . . . 75.2 110.246 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -61.36 -43.16 99.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.811 0.844 . . . . 62.55 111.249 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -73.79 -25.44 60.13 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.629 -0.714 . . . . 74.54 110.095 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -76.77 -31.89 57.34 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.867 0.467 . . . . 75.22 110.1 174.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -82.73 -10.88 58.7 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.561 0.744 . . . . 73.42 111.33 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -130.03 75.31 79.61 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 123.772 0.829 . . . . 73.15 109.359 171.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.43 100.46 1.37 Allowed 'Trans proline' 0 C--N 1.381 2.273 0 C-N-CA 122.767 2.311 . . . . 75.45 110.35 178.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.26 -96.08 0.1 Allowed Glycine 0 C--N 1.336 0.582 0 N-CA-C 111.754 -0.538 . . . . 34.41 111.754 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.27 61.3 3.73 Favored Glycine 0 C--N 1.345 1.074 0 N-CA-C 112.328 -0.309 . . . . 74.45 112.328 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 59.7 m -138.82 98.11 3.48 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.979 0.512 . . . . 65.1 111.856 -174.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.407 ' N ' ' HB2' ' A' ' 72' ' ' ASP . . . 71.17 -82.76 0.43 Allowed Glycine 0 C--N 1.35 1.311 0 CA-C-N 115.96 -0.564 . . . . 62.33 113.976 173.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.2 mt -75.95 -47.97 23.02 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.442 0.697 . . . . 72.52 110.051 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -95.41 18.5 12.48 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.694 0.798 . . . . 75.24 110.783 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' HB2' ' N ' ' A' ' 69' ' ' GLY . 20.4 t70 -64.65 -47.48 78.32 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.963 0.905 . . . . 74.31 110.924 179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.7 mt -115.94 89.35 24.23 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 108.026 -1.101 . . . . 73.12 108.026 170.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -58.58 152.33 56.25 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.367 2.711 . . . . 51.54 112.619 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -46.75 -52.13 8.04 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.945 3.096 . . . . 75.12 113.537 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.448 ' HE2' ' HA ' ' A' ' 57' ' ' TYR . 81.4 t80 -62.04 -41.63 98.32 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.934 0.493 . . . . 71.55 111.803 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.84 -28.25 68.84 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.977 0.511 . . . . 72.31 110.909 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -76.34 -39.15 54.74 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.601 0.76 . . . . 63.43 109.388 173.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -69.51 -22.93 63.55 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 123.781 0.833 . . . . 75.52 111.283 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -65.41 -34.08 77.45 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.442 1.097 . . . . 71.43 110.102 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 63.6 m -80.14 -7.33 58.87 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.096 0.959 . . . . 74.3 111.96 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -79.94 72.92 6.72 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.734 0.814 . . . . 73.32 110.921 178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 m -142.72 156.87 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.812 0.845 . . . . 64.23 110.393 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -74.37 158.83 33.24 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.237 -0.892 . . . . 74.0 109.357 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -51.0 -55.57 26.8 Favored Pre-proline 0 CA--C 1.564 1.49 0 CA-C-O 117.163 -1.399 . . . . 74.34 113.44 -173.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.493 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 72.2 Cg_exo -51.46 -48.21 22.39 Favored 'Trans proline' 0 C--N 1.393 2.875 0 C-N-CA 121.988 1.792 . . . . 72.03 112.025 176.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 23.5 m -63.02 -33.39 75.32 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.027 0.931 . . . . 73.11 111.781 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 tt -72.33 -43.84 63.52 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.206 1.003 . . . . 64.5 109.626 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -73.45 -26.55 60.98 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.305 0.642 . . . . 71.25 111.007 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 56.5 mm-40 -60.73 -35.08 75.47 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.811 0.444 . . . . 73.33 111.008 169.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.582 HD23 HG23 ' A' ' 50' ' ' ILE . 96.4 mt -68.26 -34.37 76.08 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.236 0.615 . . . . 72.41 111.304 175.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.3 mt -70.54 -42.77 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 123.539 0.736 . . . . 71.54 110.276 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.37 -35.92 82.44 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.87 0.868 . . . . 72.44 110.335 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.96 -33.61 59.79 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.468 0.707 . . . . 41.12 110.908 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.5 -31.72 70.15 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.732 0.413 . . . . 53.02 110.956 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -79.69 -42.25 25.13 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.81 0.844 . . . . 75.43 110.602 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.17 -40.78 90.75 Favored 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 123.854 0.862 . . . . 74.22 110.944 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.425 HD12 HG11 ' A' ' 54' ' ' VAL . 72.7 mt -90.97 -5.51 55.32 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.52 0.728 . . . . 73.14 110.945 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 5.8 t70 62.32 26.86 16.07 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.365 1.466 . . . . 62.4 111.577 172.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.581 HG12 ' HA ' ' A' ' 24' ' ' SER . 14.3 mt -81.92 89.91 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.566 0 N-CA-C 108.379 -0.971 . . . . 74.34 108.379 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -58.77 -42.79 96.11 Favored Pre-proline 0 CA--C 1.565 1.545 0 CA-C-O 117.924 -1.036 . . . . 72.03 113.485 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 106' ' ' VAL . 18.2 Cg_endo -59.63 -40.93 60.7 Favored 'Trans proline' 0 C--N 1.388 2.615 0 CA-C-N 121.543 1.587 . . . . 61.2 112.695 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.7 tp -66.15 -44.24 84.7 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.145 0.578 . . . . 73.23 110.386 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.43 -45.09 76.79 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.435 1.085 . . . . 71.12 110.076 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.27 -48.85 74.12 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.061 0.944 . . . . 63.42 111.477 -177.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 102' ' ' PRO . 74.0 t -57.02 -48.93 80.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.343 0.657 . . . . 72.41 110.929 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.6 m -70.41 -31.18 68.27 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.275 0.63 . . . . 42.42 111.824 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 88.7 m -72.72 -29.5 63.42 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.5 0.72 . . . . 74.15 111.244 176.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.08 -39.73 63.22 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.041 0.536 . . . . 70.24 109.696 174.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.7 m -59.26 -49.89 76.09 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.528 0.731 . . . . 72.11 111.686 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.5 m -63.14 -37.8 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 122.412 0.285 . . . . 74.54 110.735 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.39 -27.9 68.21 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.548 0.739 . . . . 61.43 111.767 178.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -80.55 -33.49 36.2 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.772 0.829 . . . . 72.42 111.53 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 49.7 mtm -71.23 -39.18 71.86 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 121.088 0.471 . . . . 75.01 110.704 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' B' ' 86' ' ' PRO . 19.7 pt -89.29 -2.35 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 123.479 0.712 . . . . 62.44 111.586 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -59.48 98.69 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.398 0.679 . . . . 62.35 111.516 -168.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 CA-C-N 115.323 -0.853 . . . . 55.2 111.349 177.07 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 120.941 0.401 . . . . 64.15 111.337 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 78.8 mt -77.98 128.04 33.28 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.954 -0.567 . . . . 72.44 109.623 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.7 m -89.59 126.95 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-O 121.388 0.613 . . . . 65.24 109.369 175.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.553 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 61.3 mttp -82.44 110.38 17.51 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.113 0.965 . . . . 72.11 110.52 -176.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.542 HD21 HD13 ' B' ' 27' ' ' ILE . 11.2 mp -106.36 98.67 8.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.484 0.714 . . . . 60.12 109.422 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -79.38 123.63 27.67 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.351 -0.611 . . . . 74.21 109.351 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 64.1 p -82.09 -179.95 7.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.602 0.761 . . . . 63.2 111.389 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -67.65 -20.46 65.32 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.718 0.807 . . . . 72.33 111.644 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.543 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 36.3 t70 -92.14 13.23 19.6 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.177 0.991 . . . . 75.23 110.62 175.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 68.43 11.9 8.52 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 125.022 1.329 . . . . 75.44 113.028 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -90.51 121.84 32.81 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.281 0.632 . . . . 73.2 110.012 -176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 51.7 t -90.13 118.82 36.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.825 0.85 . . . . 51.3 109.521 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -111.35 104.87 13.36 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 124.127 0.971 . . . . 64.54 108.386 177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.553 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 32.6 mt-10 -84.16 78.99 9.67 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.356 -0.838 . . . . 75.04 109.352 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.438 HD12 ' HB3' ' B' ' 55' ' ' LEU . 6.0 tt -79.71 149.49 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-N 115.298 -0.865 . . . . 72.31 109.69 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.31 124.44 18.9 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.083 0.953 . . . . 74.52 109.686 171.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -55.84 -41.55 74.44 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.959 0.904 . . . . 75.21 112.059 -173.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -58.39 -34.4 70.68 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.989 0.915 . . . . 64.12 111.67 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' B' ' 59' ' ' ARG . 50.5 mt -82.31 -34.76 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 CA-C-N 115.056 -0.975 . . . . 64.34 110.818 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.37 -17.77 64.32 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.392 0.677 . . . . 64.12 111.74 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . 0.478 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 85.9 m -70.44 -23.23 62.68 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.966 0.906 . . . . 64.33 112.828 176.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 19.5 mtm -66.33 -29.96 70.26 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.151 0.501 . . . . 72.54 110.689 176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.591 ' HA ' HG12 ' B' ' 100' ' ' ILE . 48.3 t -76.75 114.46 15.54 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.003 -1.11 . . . . 74.14 108.003 168.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.415 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 37.8 t -63.34 -47.48 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 O-C-N 123.837 0.711 . . . . 73.25 110.529 -175.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 89.0 m -62.16 -50.38 72.07 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.335 0.654 . . . . 60.44 112.182 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.542 HD13 HD21 ' B' ' 6' ' ' LEU . 97.5 mt -61.51 -43.5 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.296 0 C-N-CA 123.251 0.62 . . . . 74.23 110.239 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.478 ' HB2' ' HA ' ' B' ' 22' ' ' CYS . 22.9 ttpp -59.04 -45.46 90.71 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.488 0.715 . . . . 74.41 110.512 176.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -69.08 -29.9 68.1 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.429 0.692 . . . . 72.25 111.419 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 56.5 mtt -64.18 -47.02 81.43 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.192 0.597 . . . . 73.02 109.612 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 82.8 mt -63.52 -44.8 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 C-N-CA 123.977 0.911 . . . . 62.42 110.145 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.18 -39.11 89.47 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.563 0.745 . . . . 74.24 111.666 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.7 -43.89 79.01 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.544 0.738 . . . . 74.45 110.442 -178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.79 -31.72 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.464 0.706 . . . . 65.43 110.218 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.64 18.1 66.75 Favored Glycine 0 C--N 1.347 1.15 0 CA-C-N 115.781 -0.645 . . . . 70.41 111.663 -169.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 71.16 141.49 0.05 Allowed 'General case' 0 C--N 1.361 1.071 0 C-N-CA 126.619 1.968 . . . . 74.12 111.245 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 44.5 t -151.18 160.48 43.83 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.67 0.788 . . . . 60.22 109.427 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.57 -11.07 59.82 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.253 0.621 . . . . 74.25 110.67 173.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 16.7 m -65.4 124.09 86.15 Favored Pre-proline 0 CA--C 1.559 1.323 0 C-N-CA 123.544 0.738 . . . . 65.31 110.214 175.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.78 117.67 4.43 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.947 2.431 . . . . 75.04 111.862 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -62.84 110.58 3.6 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 123.938 0.895 . . . . 75.22 109.468 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -91.25 114.7 0.41 Allowed 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.497 2.132 . . . . 73.25 112.072 -178.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mp -96.19 101.47 8.66 Favored Pre-proline 0 CA--C 1.558 1.287 0 N-CA-C 108.761 -0.829 . . . . 75.02 108.761 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -88.05 42.52 0.74 Allowed 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.551 2.834 . . . . 63.42 112.49 -174.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -141.67 -52.68 0.44 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.552 0.741 . . . . 53.22 109.959 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.414 HG11 HD13 ' B' ' 51' ' ' LEU . 12.7 p -89.86 130.68 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 CA-C-N 115.651 -0.704 . . . . 71.43 110.777 -175.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 68.3 p -78.88 175.57 10.39 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.917 0.887 . . . . 52.34 110.987 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.543 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 43.3 p -62.61 -49.19 76.21 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.192 0.597 . . . . 52.41 112.582 -174.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' B' ' 53' ' ' LYS . 56.4 p -65.58 -40.46 92.77 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.213 0.605 . . . . 74.33 110.986 -175.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.573 HG23 HD23 ' B' ' 91' ' ' LEU . 50.6 mm -74.73 -41.52 47.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 CA-C-N 115.924 -0.58 . . . . 73.24 110.329 -176.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.501 HD21 ' HB3' ' B' ' 6' ' ' LEU . 46.1 tp -66.87 -44.85 79.87 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 109.805 -0.443 . . . . 65.31 109.805 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -55.1 -45.25 75.47 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.525 0.73 . . . . 75.32 110.039 175.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' B' ' 49' ' ' THR . 23.4 tttp -66.46 -46.38 76.57 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 114.234 -1.348 . . . . 75.14 110.62 -172.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.432 HG11 HD12 ' B' ' 98' ' ' LEU . 54.8 t -63.36 -47.7 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 O-C-N 124.15 0.906 . . . . 65.25 110.699 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' B' ' 59' ' ' ARG . 82.0 mt -65.49 -42.62 91.99 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.598 0.561 . . . . 73.23 110.839 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.94 -32.52 67.41 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.758 0.823 . . . . 63.52 110.437 -176.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . 0.45 ' HA ' ' HE2' ' B' ' 76' ' ' TYR . 78.5 t80 -63.65 -45.86 88.23 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.748 0.819 . . . . 73.31 110.297 171.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 98.0 m -63.17 -37.65 88.05 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.223 0.952 . . . . 54.23 110.512 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.577 ' HA ' HD13 ' B' ' 20' ' ' ILE . 76.3 mtp180 -66.88 -47.64 71.21 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.042 0.537 . . . . 64.4 110.397 179.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -61.24 -43.77 98.34 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.63 0.772 . . . . 61.42 111.553 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -74.07 -25.06 59.62 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.518 -0.764 . . . . 65.25 109.908 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -76.67 -32.6 58.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.85 0.46 . . . . 41.05 110.111 174.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 82.3 mm-40 -81.6 -11.9 58.94 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.644 0.778 . . . . 72.33 111.453 177.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -129.04 76.81 78.81 Favored Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 123.978 0.911 . . . . 73.31 109.477 171.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -78.95 100.13 1.33 Allowed 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 122.886 2.391 . . . . 72.54 111.176 177.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -169.06 -95.05 0.1 OUTLIER Glycine 0 C--N 1.338 0.677 0 CA-C-N 115.927 -0.578 . . . . 71.22 111.691 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.25 62.98 3.45 Favored Glycine 0 C--N 1.347 1.165 0 N-CA-C 111.615 -0.594 . . . . 70.31 111.615 -174.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 50.2 m -138.61 96.73 3.2 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.141 0.576 . . . . 51.41 111.969 -175.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.42 ' N ' ' HB2' ' B' ' 72' ' ' ASP . . . 71.85 -81.92 0.53 Allowed Glycine 0 C--N 1.349 1.255 0 CA-C-N 116.062 -0.517 . . . . 71.24 113.934 172.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 77.3 mt -76.06 -48.08 22.2 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.637 0.775 . . . . 52.34 110.019 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -96.25 18.7 13.19 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.886 0.875 . . . . 63.34 110.701 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.42 ' HB2' ' N ' ' B' ' 69' ' ' GLY . 21.5 t70 -64.88 -47.54 77.46 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.266 1.027 . . . . 44.44 110.752 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 55.1 mt -115.51 89.61 22.89 Favored Pre-proline 0 CA--C 1.551 0.982 0 N-CA-C 108.084 -1.08 . . . . 74.13 108.084 170.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.5 151.43 61.96 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 123.415 2.744 . . . . 72.13 112.719 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -45.75 -52.56 6.71 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 123.911 3.074 . . . . 75.23 113.619 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.45 ' HE2' ' HA ' ' B' ' 57' ' ' TYR . 81.6 t80 -61.21 -41.91 97.67 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.178 0.591 . . . . 73.33 111.792 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.96 -28.35 68.84 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.211 0.604 . . . . 75.52 110.821 -177.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -75.91 -39.17 56.84 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.55 0.74 . . . . 74.32 109.48 173.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -70.03 -22.95 63.05 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.796 0.838 . . . . 63.3 111.471 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -64.8 -34.72 79.03 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.362 1.065 . . . . 75.25 110.019 176.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.9 m -79.17 -8.72 59.22 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.091 -0.959 . . . . 74.41 111.89 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -79.13 74.31 5.69 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.766 0.826 . . . . 65.55 110.886 178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 m -143.86 157.67 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 123.931 0.892 . . . . 71.22 109.954 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -75.13 158.88 32.36 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.955 0.902 . . . . 64.31 109.462 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.401 ' O ' ' HD2' ' B' ' 89' ' ' PHE . 15.7 mm100 -50.78 -54.87 31.91 Favored Pre-proline 0 N--CA 1.489 1.483 0 CA-C-O 117.269 -1.348 . . . . 73.31 113.087 -173.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.684 ' HA ' HD12 ' A' ' 115' ' ' ILE . 72.9 Cg_exo -50.98 -50.04 15.12 Favored 'Trans proline' 0 C--N 1.394 2.971 0 CA-C-N 121.981 1.743 . . . . 64.25 112.518 175.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 22.0 m -62.06 -33.02 73.62 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 123.972 0.909 . . . . 62.23 111.97 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tt -72.67 -44.16 62.17 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.02 0.928 . . . . 75.32 109.854 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' A' ' 115' ' ' ILE . 97.2 m-85 -74.5 -26.09 59.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.974 -0.557 . . . . 72.24 111.266 177.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 52.9 mm-40 -59.89 -34.74 73.58 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.641 0.376 . . . . 75.5 110.887 169.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.573 HD23 HG23 ' B' ' 50' ' ' ILE . 96.4 mt -68.43 -34.36 75.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.333 0.653 . . . . 50.31 111.43 174.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 54.4 mt -70.7 -42.34 77.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 C-N-CA 123.63 0.772 . . . . 75.05 110.089 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.46 -36.53 84.18 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.981 0.913 . . . . 75.11 110.469 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.97 -33.39 59.77 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.547 0.739 . . . . 71.12 110.86 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.3 -31.87 70.65 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.783 0.433 . . . . 63.52 111.035 177.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -79.78 -42.43 24.48 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.561 0.744 . . . . 63.41 110.294 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -66.76 -37.69 85.1 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 123.513 0.725 . . . . 63.43 111.243 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.432 HD12 HG11 ' B' ' 54' ' ' VAL . 74.1 mt -93.23 -3.99 52.73 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.279 0.632 . . . . 73.42 111.017 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.415 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 9.8 t70 60.87 26.13 16.02 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.298 1.439 . . . . 62.13 111.697 173.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.591 HG12 ' HA ' ' B' ' 24' ' ' SER . 14.3 mt -81.36 89.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 108.472 -0.936 . . . . 63.34 108.472 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -58.67 -42.6 95.22 Favored Pre-proline 0 CA--C 1.564 1.489 0 C-N-CA 124.252 1.021 . . . . 73.15 113.497 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . 0.424 ' O ' HG23 ' B' ' 106' ' ' VAL . 18.1 Cg_endo -59.6 -40.98 60.54 Favored 'Trans proline' 0 C--N 1.39 2.712 0 CA-C-N 121.641 1.622 . . . . 53.41 112.876 175.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 62.4 tp -66.19 -44.37 84.14 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.105 0.562 . . . . 75.33 110.312 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 tp -54.59 -45.97 73.68 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.388 1.055 . . . . 61.03 110.238 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -64.46 -47.61 78.41 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.351 1.032 . . . . 63.54 111.315 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 102' ' ' PRO . 72.8 t -57.87 -49.18 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.181 0.593 . . . . 61.1 110.765 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 8.9 m -70.27 -30.76 67.87 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 123.323 0.649 . . . . 71.33 111.926 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.8 -29.44 63.26 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.585 0.754 . . . . 74.54 111.182 176.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -74.19 -40.1 62.74 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.932 0.493 . . . . 54.05 109.711 174.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.2 m -58.96 -49.71 76.83 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 123.458 0.703 . . . . 72.52 111.57 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 30.9 m -63.37 -37.8 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.371 0.268 . . . . 74.21 111.014 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.49 -28.81 68.86 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.563 0.745 . . . . 53.45 111.393 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -79.29 -34.4 42.48 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.965 0.906 . . . . 70.35 111.696 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . 0.403 ' HB2' ' HE2' ' B' ' 114' ' ' MET . 51.4 mtm -70.76 -39.03 73.5 Favored 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 121.09 0.471 . . . . 74.0 110.588 179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.8 pt -89.14 -1.38 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 123.683 0.793 . . . . 72.11 111.642 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 20.0 tpt180 -60.61 96.76 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.479 0.712 . . . . 71.11 111.593 -170.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 CA-C-N 115.451 -0.795 . . . . 64.41 111.122 176.787 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.473 0.686 0 N-CA-C 110.124 -0.324 . . . . 75.31 110.124 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 mt -73.44 117.41 15.16 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 122.86 0.464 . . . . 73.22 110.465 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.8 m -83.65 126.11 40.15 Favored 'Isoleucine or valine' 0 C--O 1.244 0.816 0 N-CA-C 108.767 -0.827 . . . . 71.35 108.767 170.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HD2' ' HG3' ' A' ' 40' ' ' PRO . 91.3 mttt -90.35 88.58 7.25 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.552 -0.749 . . . . 71.33 109.987 -173.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.4 mt -83.54 94.45 8.05 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.458 -0.792 . . . . 74.51 109.727 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -79.27 133.73 36.65 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 109.151 -0.685 . . . . 74.1 109.151 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 p -84.75 176.57 8.46 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.739 0.815 . . . . 62.42 111.037 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.6 p -68.93 -22.84 64.12 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.722 0.809 . . . . 62.55 110.98 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -84.76 5.69 27.4 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 124.47 1.108 . . . . 74.32 110.855 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 67.57 20.41 9.69 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.599 1.56 . . . . 74.43 112.954 173.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -88.05 122.35 31.53 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 109.344 -0.613 . . . . 73.51 109.344 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -91.03 105.26 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.181 0.993 . . . . 74.05 109.964 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -93.25 102.18 14.46 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.642 0.777 . . . . 74.43 109.229 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 34.4 mt-10 -82.87 78.6 9.44 Favored 'General case' 0 C--O 1.243 0.745 0 C-N-CA 123.699 0.8 . . . . 72.14 109.597 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.58 HD12 ' HB3' ' A' ' 55' ' ' LEU . 13.8 tt -93.85 150.12 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.133 0.973 . . . . 74.31 109.392 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 138.86 58.63 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.374 0.669 . . . . 64.4 109.955 -178.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -59.61 -37.74 79.39 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.755 0.659 . . . . 75.14 111.419 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -54.23 -36.97 64.1 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.793 0.837 . . . . 73.04 111.628 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.0 mt -78.09 -38.81 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 115.392 -0.822 . . . . 64.23 109.9 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.47 -9.47 58.61 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.035 0.934 . . . . 13.43 112.514 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -70.65 -32.34 69.6 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.054 0.542 . . . . 51.52 110.842 173.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.5 mtm -63.57 -31.29 72.41 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 121.338 0.589 . . . . 73.22 110.365 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.429 ' HA ' HG12 ' A' ' 100' ' ' ILE . 33.1 t -76.08 104.85 6.81 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.705 -1.134 . . . . 64.31 108.193 168.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.8 t -66.8 -38.07 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.589 0.556 . . . . 74.12 111.682 -171.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.8 m -64.37 -42.73 96.02 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.384 0.273 . . . . 72.43 111.219 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.418 ' O ' HG13 ' A' ' 31' ' ' ILE . 87.1 mt -67.17 -45.25 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.133 0.573 . . . . 73.3 110.042 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -56.21 -44.59 79.65 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.859 0.864 . . . . 74.4 110.43 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -68.01 -32.51 72.94 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.132 -0.94 . . . . 72.11 111.329 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.1 mtt -68.57 -36.98 79.49 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 123.77 0.669 . . . . 73.24 110.683 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 27' ' ' ILE . 83.7 mt -64.18 -46.2 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.19 -0.67 . . . . 70.44 109.19 176.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.66 -32.23 71.92 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.847 0.859 . . . . 64.2 111.568 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.59 -43.86 79.52 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.567 1.147 . . . . 62.43 110.747 -178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -80.03 -20.88 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 124.387 1.075 . . . . 74.23 110.205 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.86 -46.7 1.37 Allowed Glycine 0 C--N 1.346 1.118 0 N-CA-C 110.049 -1.221 . . . . 64.51 110.049 -172.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -162.19 108.67 1.29 Allowed 'General case' 0 C--O 1.244 0.815 0 C-N-CA 124.885 1.274 . . . . 74.05 107.914 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.0 m -75.64 80.27 2.62 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.637 0.732 . . . . 63.12 109.821 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.89 -35.98 57.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 114.808 -1.087 . . . . 60.15 109.61 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.8 p -78.47 149.52 75.33 Favored Pre-proline 0 CA--C 1.555 1.154 0 CA-C-N 115.131 -0.941 . . . . 55.52 111.003 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.494 ' HG3' ' HD2' ' A' ' 5' ' ' LYS . 52.5 Cg_exo -57.45 130.3 38.38 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 123.163 2.576 . . . . 74.35 112.238 175.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mm -91.46 109.05 33.46 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 123.307 0.643 . . . . 71.01 109.346 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.96 129.83 10.9 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.675 2.25 . . . . 52.22 110.551 175.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.2 mt -114.63 93.35 32.57 Favored Pre-proline 0 CA--C 1.547 0.83 0 N-CA-C 108.067 -1.086 . . . . 62.13 108.067 -178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -82.33 35.57 0.58 Allowed 'Trans proline' 0 C--N 1.381 2.238 0 C-N-CA 123.493 2.795 . . . . 73.15 112.748 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -133.38 -66.44 0.65 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.308 1.043 . . . . 74.42 108.872 -174.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -79.78 126.47 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-N 115.625 -0.716 . . . . 74.31 110.28 -175.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.3 p -73.54 169.48 17.15 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.518 0.727 . . . . 72.11 111.034 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -62.11 -45.17 94.67 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.543 0.737 . . . . 71.21 111.694 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 35.8 p -57.03 -51.15 70.39 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 124.4 1.063 . . . . 73.03 111.236 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.55 HG23 HD23 ' A' ' 91' ' ' LEU . 51.5 mm -73.18 -42.7 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 115.996 -0.547 . . . . 72.55 110.725 -175.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 tp -62.55 -35.37 79.23 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.15 0.58 . . . . 75.45 110.56 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.44 -47.11 87.21 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.36 0.664 . . . . 62.21 110.102 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HE2' HG11 ' A' ' 83' ' ' VAL . 27.5 mtpp -64.68 -45.59 86.01 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.25 0.968 . . . . 62.41 111.643 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -63.6 -46.01 96.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.336 -0.847 . . . . 71.31 110.295 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.58 ' HB3' HD12 ' A' ' 16' ' ' ILE . 71.2 mt -72.95 -30.79 64.13 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.909 -0.587 . . . . 71.31 111.527 -179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.17 -36.83 69.38 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.277 0.631 . . . . 73.15 110.279 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -69.74 -32.49 71.06 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.046 -0.524 . . . . 62.52 109.923 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 90.6 m -68.51 -35.11 77.02 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 115.951 -0.568 . . . . 40.21 110.613 173.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 64.1 mtm180 -68.53 -34.75 76.41 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.942 0.497 . . . . 73.34 110.213 173.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -58.51 -50.42 73.82 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 124.102 0.876 . . . . 62.01 109.593 173.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -72.55 -24.37 61.11 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.163 0.585 . . . . 74.34 111.503 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -73.3 -48.67 32.65 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 121.248 0.547 . . . . 74.34 111.057 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -96.54 -19.24 19.23 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.789 -1.096 . . . . 72.3 110.846 -169.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -131.83 81.52 62.81 Favored Pre-proline 0 CA--C 1.548 0.881 0 N-CA-C 107.498 -1.297 . . . . 70.01 107.498 170.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -56.11 -67.58 0.07 OUTLIER 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.9 2.4 . . . . 73.53 112.525 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.9 -40.84 2.68 Favored Glycine 0 C--N 1.356 1.657 0 C-N-CA 123.171 0.415 . . . . 62.34 113.119 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.92 -71.23 3.05 Favored Glycine 0 C--N 1.351 1.407 0 N-CA-C 110.292 -1.123 . . . . 52.41 110.292 -172.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.6 m -149.63 98.62 2.78 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.143 0.977 . . . . 60.24 108.78 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.34 53.87 4.7 Favored Glycine 0 C--N 1.351 1.414 0 N-CA-C 111.517 -0.633 . . . . 23.15 111.517 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -67.12 -26.72 66.83 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.167 1.387 . . . . 72.25 112.52 -172.402 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -132.49 66.18 1.56 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.831 -0.803 . . . . 70.03 108.831 173.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.431 ' H ' HD12 ' A' ' 73' ' ' ILE . 27.2 t70 -155.86 -74.71 0.1 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.328 -0.851 . . . . 75.34 108.895 174.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.431 HD12 ' H ' ' A' ' 72' ' ' ASP . 3.7 mp 51.46 89.29 0.1 Allowed Pre-proline 0 CA--C 1.562 1.407 0 C-N-CA 124.931 1.292 . . . . 71.03 110.834 -175.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.7 158.0 25.75 Favored 'Trans proline' 0 C--N 1.374 1.876 0 C-N-CA 123.133 2.555 . . . . 70.13 112.919 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -45.12 -49.95 9.41 Favored 'Trans proline' 0 C--N 1.388 2.627 0 C-N-CA 124.206 3.271 . . . . 72.33 113.961 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -54.63 -40.22 68.73 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.498 0.719 . . . . 74.35 111.795 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.57 -35.64 75.55 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 123.773 0.67 . . . . 72.51 111.126 -175.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -62.67 -53.36 55.59 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.513 0.508 . . . . 60.11 109.804 170.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -62.03 -31.17 71.53 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.841 0.856 . . . . 72.13 111.93 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -66.03 -42.44 89.62 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.149 0.979 . . . . 74.23 109.733 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 67.1 m -75.63 -26.67 57.95 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.886 -1.052 . . . . 53.02 111.275 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -81.52 74.65 8.51 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.266 0.626 . . . . 64.24 109.708 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.594 HG11 ' HE2' ' A' ' 53' ' ' LYS . 31.2 m -125.79 169.09 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.625 1.17 . . . . 52.14 109.002 175.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -67.86 160.56 28.15 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 123.565 0.746 . . . . 74.54 111.087 -173.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -54.19 -51.58 76.29 Favored Pre-proline 0 CA--C 1.567 1.621 0 C-N-CA 124.281 1.032 . . . . 72.21 113.3 -173.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.444 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 38.2 Cg_endo -64.81 -35.33 45.72 Favored 'Trans proline' 0 C--N 1.39 2.751 0 C-N-CA 121.733 1.622 . . . . 73.45 112.259 175.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.9 m -61.88 -32.73 73.12 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.14 0.976 . . . . 65.35 111.883 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.63 -48.69 78.73 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.113 0.965 . . . . 74.31 110.552 173.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -69.16 -30.45 68.68 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.748 -0.66 . . . . 75.24 111.537 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 12.8 mm-40 -63.51 -39.6 94.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.965 0.506 . . . . 73.33 110.65 175.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.55 HD23 HG23 ' A' ' 50' ' ' ILE . 96.3 mt -69.02 -34.86 75.93 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.456 -0.793 . . . . 74.31 110.853 175.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 82.0 mt -66.83 -44.53 89.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 C-N-CA 123.581 0.752 . . . . 74.14 110.265 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.54 -41.02 89.33 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.736 0.814 . . . . 74.24 110.712 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.93 -38.06 72.89 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.679 0.791 . . . . 63.24 111.601 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.483 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.2 -28.69 63.35 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.276 0.63 . . . . 52.42 111.653 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -78.86 -38.46 37.78 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.896 0.478 . . . . 74.54 109.756 173.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -64.37 -43.82 93.29 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.786 0.835 . . . . 65.1 111.815 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.1 mt -95.2 -8.78 35.21 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.777 0.831 . . . . 64.15 111.69 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 39.8 t0 50.16 68.94 0.67 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.73 1.212 . . . . 72.11 110.968 -173.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.429 HG12 ' HA ' ' A' ' 24' ' ' SER . 30.4 mt -117.99 92.71 2.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 107.092 -1.447 . . . . 73.13 107.092 172.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.94 -35.89 14.46 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 118.219 -0.896 . . . . 74.2 113.042 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -50.76 -33.5 40.75 Favored 'Trans proline' 0 C--N 1.397 3.114 0 C-N-CA 122.255 1.97 . . . . 64.13 113.768 166.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.483 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -80.28 -50.9 9.57 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 109.287 -0.635 . . . . 74.32 109.287 176.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.9 -51.52 69.33 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.554 1.142 . . . . 40.32 111.721 -170.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.72 -39.29 93.4 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 124.591 1.182 . . . . 74.14 111.611 -173.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.51 -45.19 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 123.51 0.724 . . . . 75.52 110.762 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.7 m -69.05 -31.06 69.56 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 122.832 0.453 . . . . 73.4 110.943 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 85.2 m -70.28 -33.43 71.56 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.631 0.772 . . . . 72.23 110.729 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -69.94 -39.73 75.91 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.069 0.548 . . . . 72.23 110.133 174.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.8 m -61.12 -52.9 62.94 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 123.829 0.706 . . . . 60.24 111.154 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -67.03 -32.63 58.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.626 -0.715 . . . . 75.44 111.189 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.11 -40.62 86.9 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.206 0.602 . . . . 63.04 110.824 175.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -67.78 -25.69 65.73 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.561 0.744 . . . . 65.4 111.759 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 38.9 mtm -69.88 -48.69 57.77 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-O 120.899 0.381 . . . . 65.5 110.634 176.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 43.9 pt -85.14 -4.89 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-N 115.606 -0.724 . . . . 73.22 112.235 -177.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -63.41 96.2 0.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.963 1.305 . . . . 74.44 111.112 -176.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 CA-C-O 118.59 -1.117 . . . . 65.11 110.718 173.521 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 110.429 -0.211 . . . . 73.02 110.429 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -75.95 116.91 17.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.81 0.444 . . . . 75.22 110.378 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -82.57 126.1 39.98 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 N-CA-C 108.76 -0.83 . . . . 73.05 108.76 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.47 ' HD2' ' HG3' ' B' ' 40' ' ' PRO . 91.2 mttt -90.91 87.71 6.74 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.452 -0.794 . . . . 72.52 109.785 -172.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.15 94.61 7.88 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 115.176 -0.92 . . . . 72.14 109.577 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -79.21 133.92 36.68 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 109.097 -0.705 . . . . 74.34 109.097 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.0 p -85.67 175.99 8.42 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.786 0.835 . . . . 65.31 111.014 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 58.9 p -68.12 -23.13 64.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.699 0.799 . . . . 55.25 110.935 174.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -84.24 5.24 27.37 Favored 'General case' 0 CA--C 1.563 1.463 0 C-N-CA 124.395 1.078 . . . . 73.24 110.693 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 68.43 19.9 8.7 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.793 1.637 . . . . 73.21 112.885 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -88.32 121.85 31.17 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 109.474 -0.565 . . . . 72.33 109.474 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.7 t -90.41 107.15 18.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.21 1.004 . . . . 73.44 109.524 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.37 102.29 14.09 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 123.878 0.871 . . . . 65.45 109.133 177.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -83.02 77.54 9.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.753 0.821 . . . . 71.1 109.344 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.561 HD12 ' HB3' ' B' ' 55' ' ' LEU . 13.3 tt -92.91 151.17 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.629 0.772 . . . . 73.11 109.462 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.16 138.42 58.26 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.738 0.815 . . . . 63.34 109.754 -178.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.424 ' HE3' HG21 ' B' ' 31' ' ' ILE . 81.0 tttt -59.09 -37.94 78.34 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 123.302 0.641 . . . . 72.15 111.259 -177.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.92 -35.95 64.71 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.997 0.919 . . . . 74.41 111.795 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 11.9 mt -78.87 -38.43 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 CA-C-N 115.276 -0.874 . . . . 65.1 109.748 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.64 -9.47 58.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.026 0.93 . . . . 62.5 112.527 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.8 m -70.65 -31.75 68.79 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.075 0.55 . . . . 51.22 110.846 172.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 33.5 mtm -64.06 -31.22 72.33 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 121.248 0.547 . . . . 64.24 110.346 176.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.432 ' HA ' HG12 ' B' ' 100' ' ' ILE . 33.4 t -76.63 105.5 7.73 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 108.096 -1.076 . . . . 63.52 108.096 169.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 63.2 t -67.37 -37.8 79.64 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 123.112 0.565 . . . . 63.42 111.604 -171.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.6 m -64.07 -43.41 95.54 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 122.515 0.326 . . . . 72.21 111.134 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.409 ' O ' HG13 ' B' ' 31' ' ' ILE . 86.2 mt -66.82 -45.01 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 123.166 0.586 . . . . 75.12 110.159 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -56.66 -44.71 81.65 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.716 0.806 . . . . 72.12 110.4 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -67.57 -32.64 73.53 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.221 -0.9 . . . . 72.11 111.222 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 58.7 mtt -68.05 -37.43 81.32 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.037 0.535 . . . . 74.42 110.712 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.424 HG21 ' HE3' ' B' ' 18' ' ' LYS . 83.1 mt -64.24 -45.6 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 109.386 -0.598 . . . . 64.52 109.386 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -69.54 -31.2 69.27 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.692 0.797 . . . . 74.41 111.535 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.53 -44.33 74.82 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.145 0.978 . . . . 61.22 110.592 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 72.5 mt -78.39 -24.08 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 124.537 1.135 . . . . 63.35 110.011 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.19 -43.02 1.77 Allowed Glycine 0 C--N 1.348 1.207 0 N-CA-C 110.394 -1.082 . . . . 62.03 110.394 -173.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -165.07 108.97 0.87 Allowed 'General case' 0 C--O 1.24 0.569 0 C-N-CA 125.2 1.4 . . . . 61.42 107.761 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.425 ' HB3' HD11 ' B' ' 41' ' ' ILE . 50.8 m -75.98 80.24 2.85 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 121.24 0.543 . . . . 60.44 110.226 174.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -76.74 -37.28 56.25 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.074 -0.966 . . . . 75.42 109.581 176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -76.6 149.02 80.63 Favored Pre-proline 0 CA--C 1.553 1.091 0 CA-C-N 115.031 -0.986 . . . . 65.33 110.928 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.47 ' HG3' ' HD2' ' B' ' 5' ' ' LYS . 52.0 Cg_exo -56.31 131.49 46.12 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.074 2.516 . . . . 74.35 112.445 175.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' B' ' 37' ' ' SER . 49.4 mm -92.25 107.9 26.78 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 123.297 0.639 . . . . 71.32 109.529 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.03 129.46 11.46 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.659 2.239 . . . . 54.45 110.601 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.9 mt -114.77 93.47 33.72 Favored Pre-proline 0 CA--C 1.549 0.928 0 N-CA-C 108.193 -1.04 . . . . 61.02 108.193 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.04 34.12 0.54 Allowed 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.722 2.948 . . . . 74.11 112.974 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -132.52 -65.2 0.73 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.295 1.038 . . . . 70.41 109.198 -174.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.5 126.36 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 CA-C-N 115.549 -0.75 . . . . 71.25 110.24 -175.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 39.2 p -73.37 169.84 16.31 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.599 0.76 . . . . 74.11 110.888 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 59.8 p -61.68 -46.54 89.27 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.429 0.691 . . . . 71.22 111.489 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.418 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 33.9 p -56.85 -50.04 73.65 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 124.621 1.201 . . . . 73.43 111.248 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.536 HG23 HD23 ' B' ' 91' ' ' LEU . 51.0 mm -73.4 -42.89 56.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 116.016 -0.538 . . . . 74.4 110.709 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -62.65 -34.85 77.9 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.095 0.558 . . . . 74.14 110.624 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.62 -47.16 86.67 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.524 0.73 . . . . 74.44 109.895 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.579 ' HE2' HG11 ' B' ' 83' ' ' VAL . 27.8 mtpp -65.52 -45.18 84.5 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 124.3 1.0 . . . . 61.41 111.332 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.7 t -63.63 -46.09 95.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 O-C-N 123.996 0.81 . . . . 73.41 110.352 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.561 ' HB3' HD12 ' B' ' 16' ' ' ILE . 69.7 mt -72.7 -31.04 64.72 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.206 0.602 . . . . 64.44 111.281 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -71.53 -37.92 71.11 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.584 0.754 . . . . 70.43 110.432 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.83 -32.72 72.62 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.093 -0.503 . . . . 74.33 110.068 174.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 92.3 m -68.26 -35.36 77.77 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 115.817 -0.629 . . . . 64.23 110.71 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 63.2 mtm180 -68.38 -34.98 77.02 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.096 0.558 . . . . 73.45 110.202 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -58.77 -50.22 74.74 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.791 0.837 . . . . 73.53 109.383 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -71.68 -26.49 62.54 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 123.895 0.747 . . . . 74.53 111.299 -178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -71.6 -49.32 41.45 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.21 0.604 . . . . 73.42 110.965 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -95.16 -19.6 19.94 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 115.048 -0.978 . . . . 51.34 110.878 -169.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -132.27 80.62 63.13 Favored Pre-proline 0 CA--C 1.551 0.981 0 N-CA-C 107.43 -1.322 . . . . 71.13 107.43 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -54.83 -66.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 123.059 2.506 . . . . 64.41 112.852 -177.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.78 -39.88 2.42 Favored Glycine 0 C--N 1.355 1.594 0 O-C-N 123.373 0.421 . . . . 45.32 113.424 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.91 -70.08 3.12 Favored Glycine 0 C--N 1.35 1.321 0 N-CA-C 110.259 -1.136 . . . . 74.43 110.259 -173.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 70.6 m -148.39 101.24 3.22 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.321 1.048 . . . . 43.03 109.058 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.71 52.92 4.8 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 111.51 -0.636 . . . . 62.45 111.51 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.63 -27.52 67.76 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.192 1.397 . . . . 71.5 112.659 -171.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.6 65.52 1.58 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.671 -0.863 . . . . 64.14 108.671 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -155.91 -73.37 0.11 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.477 -0.783 . . . . 74.24 109.054 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.6 mp 50.24 89.49 0.1 OUTLIER Pre-proline 0 CA--C 1.564 1.485 0 C-N-CA 124.993 1.317 . . . . 71.21 110.858 -175.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -58.49 158.53 22.9 Favored 'Trans proline' 0 C--N 1.377 2.03 0 C-N-CA 123.268 2.646 . . . . 73.24 113.056 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -45.8 -50.07 10.09 Favored 'Trans proline' 0 C--N 1.391 2.801 0 C-N-CA 123.836 3.024 . . . . 75.33 113.782 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -53.99 -41.04 67.48 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 123.918 0.761 . . . . 73.13 112.084 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.76 -35.92 77.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.298 0.639 . . . . 74.32 111.171 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.42 -53.52 53.74 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.597 0.561 . . . . 74.1 109.998 171.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -62.1 -31.01 71.41 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 123.939 0.774 . . . . 74.02 112.18 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -66.31 -42.12 88.73 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.01 0.924 . . . . 74.5 109.918 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 66.9 m -75.45 -27.08 58.77 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 114.905 -1.043 . . . . 65.01 111.207 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -81.38 75.67 8.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.185 0.594 . . . . 61.41 109.784 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.579 HG11 ' HE2' ' B' ' 53' ' ' LYS . 31.3 m -126.55 170.36 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.494 1.118 . . . . 62.11 109.144 175.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -68.72 159.99 31.19 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.172 0.589 . . . . 64.43 110.893 -174.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -53.74 -51.6 75.07 Favored Pre-proline 0 CA--C 1.564 1.496 0 C-N-CA 124.434 1.094 . . . . 65.31 113.377 -173.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.43 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 39.1 Cg_endo -64.52 -35.62 47.56 Favored 'Trans proline' 0 C--N 1.39 2.719 0 C-N-CA 121.523 1.482 . . . . 63.41 112.251 175.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 9.8 m -62.5 -32.36 73.26 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 124.079 0.951 . . . . 62.25 111.863 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 64.3 mt -57.4 -48.72 78.35 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.128 0.971 . . . . 51.13 110.532 173.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -69.05 -30.76 69.17 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.74 -0.664 . . . . 71.2 111.677 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 21.2 mm-40 -63.6 -39.51 94.55 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.132 0.573 . . . . 74.53 110.78 175.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.536 HD23 HG23 ' B' ' 50' ' ' ILE . 96.3 mt -68.91 -34.96 76.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.579 0.752 . . . . 71.44 110.605 175.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 82.0 mt -66.8 -44.51 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 123.662 0.785 . . . . 64.41 110.224 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.27 -41.72 89.48 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.825 0.85 . . . . 64.32 110.659 -178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.49 -38.0 74.3 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.732 0.813 . . . . 65.24 111.569 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.487 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -72.21 -28.58 63.27 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.421 0.688 . . . . 71.22 111.797 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -79.0 -38.3 37.04 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.036 0.534 . . . . 74.32 110.028 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.68 -42.31 91.44 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.409 1.083 . . . . 71.12 111.735 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 97.2 mt -96.35 -9.37 30.2 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.514 0.726 . . . . 74.33 111.605 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 38.9 t0 51.31 68.18 0.83 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.9 1.28 . . . . 73.23 111.242 -174.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.432 HG12 ' HA ' ' B' ' 24' ' ' SER . 30.9 mt -117.96 92.23 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 106.958 -1.497 . . . . 72.24 106.958 173.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.34 -36.46 19.11 Favored Pre-proline 0 CA--C 1.561 1.386 0 C-N-CA 124.103 0.961 . . . . 73.14 113.013 177.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_exo -50.45 -33.51 38.31 Favored 'Trans proline' 0 C--N 1.398 3.158 0 C-N-CA 122.324 2.016 . . . . 75.41 113.993 166.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.487 HD12 ' HB2' ' B' ' 95' ' ' ALA . 0.8 OUTLIER -80.39 -50.91 9.48 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 109.231 -0.655 . . . . 72.44 109.231 177.005 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.39 -51.94 67.76 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.591 1.156 . . . . 65.32 111.828 -171.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.07 -38.69 91.6 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 124.415 1.072 . . . . 61.23 111.451 -173.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.79 -45.33 97.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.504 0.722 . . . . 65.53 110.546 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 23.7 m -69.01 -31.03 69.56 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.968 0.507 . . . . 63.34 110.953 176.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.25 -33.23 71.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.639 0.776 . . . . 74.45 110.642 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -70.7 -38.79 73.7 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.905 0.482 . . . . 61.31 110.244 175.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 28.8 m -61.77 -52.86 62.5 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.869 0.73 . . . . 60.24 111.131 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 34.5 m -66.79 -32.54 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.675 -0.693 . . . . 74.35 111.248 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.17 -41.5 85.83 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 123.225 0.61 . . . . 72.11 110.662 175.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -66.66 -25.86 66.77 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.56 0.744 . . . . 52.41 111.78 -178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 41.7 mtm -70.02 -48.75 56.76 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 120.958 0.408 . . . . 72.12 110.481 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.0 pt -85.52 -3.81 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 115.683 -0.689 . . . . 73.15 111.827 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -63.02 97.62 0.11 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.74 1.216 . . . . 61.24 110.979 -177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 CA-C-O 118.659 -1.078 . . . . 65.12 111.82 174.87 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.551 0.215 . . . . 43.32 110.771 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.4 mt -78.92 132.46 36.75 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.1 0.56 . . . . 74.5 111.021 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.6 m -103.86 143.81 15.16 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 N-CA-C 108.474 -0.936 . . . . 75.2 108.474 164.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 90.5 mttt -94.75 121.67 36.57 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 109.543 -0.54 . . . . 64.11 109.543 -176.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 67.0 mt -116.15 91.09 3.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.716 0.806 . . . . 71.41 109.237 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.58 ' HG3' HG22 ' A' ' 13' ' ' VAL . 2.3 mp0 -74.85 119.17 18.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.622 -0.51 . . . . 73.12 109.622 176.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.2 p -66.32 178.7 1.13 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.832 0.453 . . . . 75.11 110.986 170.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -62.79 -29.34 70.64 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.925 0.49 . . . . 72.33 110.491 173.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -83.8 8.67 14.03 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.163 0.985 . . . . 61.44 111.179 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 70.74 7.13 6.11 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 125.245 1.418 . . . . 71.44 113.295 172.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -71.46 121.52 18.78 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.33 -0.619 . . . . 53.01 109.33 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.58 HG22 ' HG3' ' A' ' 7' ' ' GLU . 34.7 t -86.86 96.39 5.51 Favored 'Isoleucine or valine' 0 C--O 1.242 0.67 0 C-N-CA 124.394 1.077 . . . . 75.41 109.489 -173.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -82.39 87.5 6.61 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.503 0.721 . . . . 74.13 109.773 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.504 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 34.6 mt-10 -78.08 88.94 4.19 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.941 -1.027 . . . . 74.11 109.061 176.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 tt -119.9 156.03 22.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.07 0.948 . . . . 75.4 108.729 -173.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.96 139.2 56.97 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.969 0.507 . . . . 64.42 110.725 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -58.63 -31.91 68.54 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 124.08 0.862 . . . . 74.3 110.738 -178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.09 -40.73 90.58 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.738 0.815 . . . . 72.33 111.753 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.551 HD13 ' HA ' ' A' ' 59' ' ' ARG . 24.6 mt -76.19 -34.71 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 115.516 -0.765 . . . . 63.34 109.975 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.496 ' HB1' HG21 ' A' ' 27' ' ' ILE . . . -67.86 -28.96 67.99 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 115.716 -0.675 . . . . 43.24 111.438 174.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.1 m -75.84 -23.15 55.71 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.371 0.668 . . . . 63.13 111.449 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.8 mtp -62.45 -25.38 67.94 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 122.909 0.484 . . . . 64.54 110.416 171.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.415 ' HA ' HG12 ' A' ' 100' ' ' ILE . 48.8 m -76.73 115.26 16.34 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.275 -1.009 . . . . 75.2 108.275 161.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.79 -31.84 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.313 0.645 . . . . 64.13 110.414 177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.8 m -68.0 -47.13 69.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.96 0.504 . . . . 74.44 111.172 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.496 HG21 ' HB1' ' A' ' 21' ' ' ALA . 1.7 mp -72.49 -34.96 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.245 -0.65 . . . . 60.32 109.245 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -56.11 -51.5 67.67 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.462 0.705 . . . . 71.24 110.192 172.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -61.68 -39.46 91.52 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 115.168 -0.924 . . . . 74.34 111.043 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.52 ' O ' HG12 ' A' ' 34' ' ' ILE . 60.2 mtt -60.25 -55.6 31.8 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.06 0.544 . . . . 54.12 110.418 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.9 mt -57.9 -48.37 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 123.528 0.731 . . . . 73.31 110.526 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -70.36 -36.14 73.98 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.739 0.416 . . . . 74.13 111.984 -176.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -67.67 -37.85 82.92 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 123.519 0.728 . . . . 71.5 110.987 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 30' ' ' MET . 48.0 mm -72.98 -39.42 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-N 115.791 -0.64 . . . . 71.13 109.39 175.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.28 23.24 8.15 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 115.717 -0.674 . . . . 53.52 112.691 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 72.28 126.32 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.063 1.745 . . . . 74.15 110.674 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.9 m -144.09 159.29 42.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.688 0.756 . . . . 71.45 111.374 -175.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.91 -12.76 60.0 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.12 -1.4 . . . . 73.13 110.831 175.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.0 m -63.45 131.79 94.94 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.048 0.939 . . . . 74.24 110.816 175.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 44.6 Cg_endo -68.56 160.23 50.19 Favored 'Trans proline' 0 C--N 1.373 1.86 0 C-N-CA 122.595 2.197 . . . . 74.11 111.54 171.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.0 mm -107.94 95.87 16.06 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 108.931 -0.766 . . . . 73.51 108.931 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -78.89 131.08 9.88 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.016 1.811 . . . . 72.02 111.262 175.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.1 mt -108.93 87.79 4.91 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 124.872 1.269 . . . . 54.35 108.74 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.83 -5.95 14.91 Favored 'Trans proline' 0 C--N 1.381 2.272 0 C-N-CA 123.131 2.554 . . . . 74.32 113.571 -171.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.7 -41.66 20.99 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.37 0.668 . . . . 74.2 110.567 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -101.81 136.65 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 123.234 0.614 . . . . 62.5 110.445 -173.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 45.8 p -80.1 171.91 14.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.447 0.699 . . . . 75.33 110.732 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.0 p -64.69 -47.59 77.81 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.624 0.77 . . . . 64.2 111.966 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.2 p -61.02 -36.57 79.87 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.292 1.037 . . . . 71.4 112.324 -176.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.532 HG23 HD23 ' A' ' 91' ' ' LEU . 42.4 mm -81.05 -47.18 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 CA-C-N 115.845 -0.616 . . . . 64.51 109.899 -178.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -63.1 -30.45 71.61 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.832 0.853 . . . . 74.32 111.042 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.18 -51.26 68.53 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 123.478 0.711 . . . . 63.54 110.794 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.505 ' HD2' HD21 ' A' ' 91' ' ' LEU . 36.3 mttm -63.83 -41.88 97.76 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 123.986 0.804 . . . . 54.11 110.549 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.654 HG13 ' HG ' ' A' ' 103' ' ' LEU . 75.5 t -60.83 -51.07 77.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 CA-C-N 114.728 -1.124 . . . . 44.42 110.348 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.3 mt -72.42 -28.71 63.14 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.779 -0.646 . . . . 62.14 111.772 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.88 -51.37 48.9 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.963 0.905 . . . . 75.33 110.668 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -59.57 -48.53 81.29 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.74 -0.664 . . . . 73.13 110.413 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.679 ' SG ' HG21 ' A' ' 100' ' ' ILE . 78.7 m -65.18 -31.88 73.28 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 124.056 0.848 . . . . 73.55 111.731 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.551 ' HA ' HD13 ' A' ' 20' ' ' ILE . 55.8 ttp180 -64.22 -51.35 64.1 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.464 0.705 . . . . 54.22 110.204 175.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -63.82 -34.62 78.33 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.888 0.875 . . . . 75.23 111.405 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -76.34 -19.02 58.61 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.305 0.642 . . . . 71.42 110.007 179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -82.81 -30.67 28.64 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.926 0.491 . . . . 70.11 110.136 171.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 24.8 mm-40 -70.32 -35.43 73.64 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.588 -0.523 . . . . 64.21 109.588 176.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -127.02 82.02 68.86 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 108.329 -0.989 . . . . 74.12 108.329 175.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.05 -23.2 40.43 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 122.782 2.321 . . . . 74.32 113.542 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.24 -137.04 2.22 Favored Glycine 0 C--N 1.343 0.919 0 N-CA-C 111.893 -0.483 . . . . 65.04 111.893 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.41 -66.75 3.62 Favored Glycine 0 C--N 1.351 1.416 0 C-N-CA 122.943 0.306 . . . . 55.1 112.402 179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.1 m -139.36 -176.36 4.5 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.295 1.038 . . . . 63.53 109.351 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.89 -26.72 23.37 Favored Glycine 0 C--N 1.343 0.938 0 CA-C-N 116.391 -0.368 . . . . 64.54 112.807 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.68 -44.73 80.99 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.422 0.689 . . . . 72.14 110.793 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -91.22 -37.48 13.3 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.364 0.666 . . . . 74.31 110.53 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -63.98 -37.59 87.99 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.278 1.031 . . . . 72.35 111.586 -174.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.4 mm 57.25 93.36 0.05 OUTLIER Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.967 1.307 . . . . 64.31 110.01 -173.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.79 127.29 18.37 Favored 'Trans proline' 0 C--N 1.371 1.737 0 C-N-CA 122.275 1.983 . . . . 75.34 111.34 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -50.93 -26.54 18.52 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 123.434 2.756 . . . . 72.33 113.114 172.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -53.19 -49.27 67.05 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.211 1.404 . . . . 75.01 111.906 175.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.26 -39.01 93.4 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.207 1.003 . . . . 74.32 111.163 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -72.83 -33.6 66.27 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.074 -0.967 . . . . 64.11 110.418 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 60.5 m-20 -79.5 -22.58 43.82 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.464 -0.789 . . . . 73.53 111.615 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -64.57 -33.42 75.88 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.311 0.645 . . . . 71.54 109.827 170.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 62.1 m -70.88 -11.48 60.99 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.138 -0.937 . . . . 72.32 112.505 178.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 79' ' ' ASP . 32.1 mmtp -82.17 74.01 9.18 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.518 -0.549 . . . . 74.11 109.518 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.415 HG11 HD11 ' A' ' 91' ' ' LEU . 24.5 m -131.71 171.51 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.754 1.222 . . . . 72.11 108.561 178.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.67 156.78 38.43 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.04 -0.356 . . . . 72.44 110.04 176.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.462 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 0.9 OUTLIER -55.76 -51.79 77.49 Favored Pre-proline 0 CA--C 1.568 1.659 0 C-N-CA 124.099 0.96 . . . . 75.43 111.058 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 22.3 Cg_exo -68.51 -39.85 8.74 Favored 'Trans proline' 0 C--N 1.387 2.594 0 C-N-CA 121.649 1.566 . . . . 61.4 112.405 176.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.6 m -57.36 -32.05 66.38 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.336 1.054 . . . . 74.02 111.763 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.91 -46.54 89.03 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.979 1.312 . . . . 55.33 109.526 177.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.43 ' HD1' HD12 ' A' ' 92' ' ' ILE . 28.7 m-85 -73.18 -30.63 63.68 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.594 -0.73 . . . . 72.01 111.643 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -60.77 -35.77 77.28 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.456 0.473 . . . . 72.21 110.708 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.532 HD23 HG23 ' A' ' 50' ' ' ILE . 96.0 mt -68.69 -34.36 75.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.54 0.736 . . . . 63.41 111.323 176.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.43 HD12 ' HD1' ' A' ' 89' ' ' PHE . 43.7 mt -69.9 -41.49 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 123.171 0.588 . . . . 65.13 110.137 175.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.26 -38.98 92.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.828 0.851 . . . . 71.4 110.498 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.84 -34.52 64.56 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.731 0.812 . . . . 63.32 110.935 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -70.21 -29.79 66.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.404 0.682 . . . . 75.53 111.46 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -79.89 -42.06 24.93 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.802 0.841 . . . . 72.45 110.004 173.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -63.22 -36.14 82.65 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.848 0.859 . . . . 74.42 111.58 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.562 HD12 HG11 ' A' ' 54' ' ' VAL . 60.3 mt -95.61 -19.54 19.68 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.087 0.555 . . . . 74.43 110.572 177.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.6 t0 50.38 68.37 0.77 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.402 1.481 . . . . 70.54 111.932 -174.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.679 HG21 ' SG ' ' A' ' 58' ' ' CYS . 25.8 mt -104.46 114.89 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 N-CA-C 107.494 -1.299 . . . . 71.31 107.494 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -63.41 -48.75 81.3 Favored Pre-proline 0 CA--C 1.563 1.457 0 CA-C-O 118.603 -0.713 . . . . 74.31 112.743 -171.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.03 -44.02 26.86 Favored 'Trans proline' 0 C--N 1.392 2.833 0 C-N-CA 121.874 1.716 . . . . 62.12 113.21 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.654 ' HG ' HG13 ' A' ' 54' ' ' VAL . 1.6 tm? -63.96 -51.04 66.23 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.347 0.659 . . . . 64.43 109.668 -175.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.85 -44.64 91.03 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 114.994 -1.003 . . . . 72.32 110.769 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 23.9 t70 -65.01 -51.23 62.79 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.365 -0.834 . . . . 53.41 110.903 -175.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.82 -46.18 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 123.627 0.771 . . . . 64.44 111.397 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 13.2 m -72.16 -32.47 66.9 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 123.204 0.602 . . . . 71.51 111.945 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 98.3 m -70.93 -39.35 72.7 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.804 0.442 . . . . 65.21 110.185 175.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 105' ' ' ASP . 1.5 mptm? -67.25 -30.38 70.26 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.586 0.755 . . . . 73.11 110.872 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.2 m -57.35 -45.76 84.03 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.013 0.525 . . . . 74.04 110.543 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.0 t -71.42 -40.88 73.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.301 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.27 -30.33 71.05 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.224 -0.898 . . . . 73.53 111.353 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -70.89 -34.52 71.67 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.67 0.788 . . . . 71.41 110.907 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 42.2 mtm -69.86 -33.51 72.35 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.737 0.415 . . . . 63.41 111.095 -178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.4 pt -99.87 -2.71 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 122.962 0.505 . . . . 72.51 112.043 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -57.73 -54.96 41.03 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.056 0.942 . . . . 75.32 112.367 -170.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.372 0 N-CA-C 110.152 -1.179 . . . . 51.24 110.152 -170.742 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.513 0.197 . . . . 63.32 110.5 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.0 mt -78.99 133.13 36.85 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.347 0.659 . . . . 71.13 110.88 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 29.0 m -104.89 143.45 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 N-CA-C 108.318 -0.993 . . . . 72.32 108.318 164.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.551 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 91.1 mttt -94.31 121.9 36.31 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 123.043 0.537 . . . . 43.12 109.875 -176.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.3 mt -116.24 91.19 3.52 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.544 0.738 . . . . 73.0 109.459 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.565 ' HG3' HG22 ' B' ' 13' ' ' VAL . 2.8 mp0 -74.45 119.48 18.7 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.522 -0.548 . . . . 75.41 109.522 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 36.8 p -66.83 178.95 1.19 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.754 0.421 . . . . 71.42 110.96 171.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p -62.91 -29.19 70.59 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.046 0.539 . . . . 52.31 110.505 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.22 7.79 17.94 Favored 'General case' 0 CA--C 1.56 1.33 0 C-N-CA 124.345 1.058 . . . . 75.52 111.386 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 71.92 6.84 5.72 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 125.063 1.345 . . . . 73.25 113.502 172.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -71.12 121.51 18.42 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.506 -0.554 . . . . 70.54 109.506 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.565 HG22 ' HG3' ' B' ' 7' ' ' GLU . 38.7 t -87.29 96.65 5.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 124.096 0.959 . . . . 70.54 109.379 -173.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -82.37 86.9 6.64 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.454 0.702 . . . . 75.51 109.797 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.551 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.3 mt-10 -77.32 88.86 3.73 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.912 -1.04 . . . . 63.52 109.018 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.1 tt -119.86 155.58 22.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.936 0.894 . . . . 74.22 108.903 -173.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -58.98 138.75 57.36 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.192 0.597 . . . . 72.02 110.55 -177.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -58.31 -31.77 67.84 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 124.065 0.853 . . . . 72.1 110.821 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.1 -41.54 92.76 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.94 0.896 . . . . 64.12 111.556 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' B' ' 59' ' ' ARG . 24.0 mt -75.35 -34.74 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.559 0.744 . . . . 71.24 109.971 -179.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.498 ' HB1' HG21 ' B' ' 27' ' ' ILE . . . -68.02 -28.73 67.66 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.715 -0.675 . . . . 74.23 111.456 174.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 74.0 m -76.39 -21.71 55.7 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.498 0.719 . . . . 73.32 111.566 175.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.86 -24.89 67.92 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 122.928 0.491 . . . . 73.44 110.551 170.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.423 ' HA ' HG12 ' B' ' 100' ' ' ILE . 50.2 m -77.08 115.01 16.49 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 108.267 -1.012 . . . . 75.24 108.267 161.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.36 -31.87 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.134 0.574 . . . . 73.1 110.408 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 90.9 m -67.94 -47.03 69.81 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.155 0.582 . . . . 71.53 111.275 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.498 HG21 ' HB1' ' B' ' 21' ' ' ALA . 1.7 mp -72.86 -35.03 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 N-CA-C 109.203 -0.665 . . . . 74.22 109.203 -179.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -56.03 -51.29 68.33 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.562 0.745 . . . . 70.31 110.058 172.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -61.65 -40.05 93.53 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.09 -0.959 . . . . 72.24 110.887 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.501 ' O ' HG12 ' B' ' 34' ' ' ILE . 60.0 mtt -59.86 -55.57 32.59 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 123.555 0.535 . . . . 70.05 110.476 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.6 mt -58.09 -48.52 84.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 123.917 0.761 . . . . 34.12 110.544 -175.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.29 -35.91 74.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.293 0.37 . . . . 74.31 111.996 -176.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.59 -38.21 83.69 Favored 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.252 0.621 . . . . 74.35 110.897 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.501 HG12 ' O ' ' B' ' 30' ' ' MET . 49.0 mm -73.54 -37.75 50.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.885 0 CA-C-N 115.794 -0.639 . . . . 75.22 109.358 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.93 23.39 8.67 Favored Glycine 0 C--N 1.347 1.188 0 CA-C-N 115.873 -0.603 . . . . 74.12 112.743 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 72.32 125.4 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.113 1.765 . . . . 74.15 110.272 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 74.4 m -142.56 160.48 40.21 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.598 0.713 . . . . 60.03 111.218 -175.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.91 -12.56 59.97 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 114.036 -1.438 . . . . 75.3 110.92 173.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.4 m -64.97 130.57 94.92 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.051 0.94 . . . . 73.5 110.814 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.53 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 41.7 Cg_endo -68.18 160.51 48.52 Favored 'Trans proline' 0 C--N 1.372 1.782 0 C-N-CA 122.318 2.012 . . . . 71.24 111.538 172.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -107.58 95.59 14.43 Favored Pre-proline 0 CA--C 1.547 0.865 0 N-CA-C 108.979 -0.748 . . . . 44.32 108.979 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.66 129.93 9.48 Favored 'Trans proline' 0 C--N 1.374 1.875 0 C-N-CA 122.095 1.864 . . . . 71.12 111.276 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -108.1 88.41 4.68 Favored Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 124.587 1.155 . . . . 75.32 108.919 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -79.71 -5.06 13.85 Favored 'Trans proline' 0 C--N 1.382 2.29 0 C-N-CA 122.987 2.458 . . . . 74.13 113.655 -171.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -81.98 -41.92 20.08 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.471 0.708 . . . . 72.04 110.369 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -101.56 136.88 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 123.455 0.702 . . . . 64.24 110.412 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 53.3 p -80.21 171.8 14.6 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.297 0.639 . . . . 74.13 110.896 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 37.4 p -64.69 -47.5 78.13 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.733 0.813 . . . . 60.31 112.135 -177.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 38.0 p -61.07 -36.42 79.58 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.257 1.023 . . . . 73.31 112.053 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.52 HG23 HD23 ' B' ' 91' ' ' LEU . 42.2 mm -80.91 -47.46 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 123.21 0.604 . . . . 73.12 110.059 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 35.2 tp -63.28 -30.29 71.46 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.878 0.871 . . . . 64.4 111.011 -178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.03 -51.29 68.59 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.545 0.738 . . . . 71.34 110.631 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.525 ' HD2' HD21 ' B' ' 91' ' ' LEU . 37.2 mttm -63.9 -42.02 97.55 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 123.713 0.633 . . . . 75.11 110.642 -177.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.648 HG13 ' HG ' ' B' ' 103' ' ' LEU . 77.4 t -60.7 -50.74 79.22 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 CA-C-N 114.68 -1.145 . . . . 73.11 110.436 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 76.9 mt -72.9 -28.68 62.62 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.26 0.624 . . . . 75.12 111.864 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -68.3 -50.21 55.18 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.016 0.926 . . . . 75.33 110.897 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -60.57 -48.49 81.52 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.632 -0.713 . . . . 74.21 110.33 176.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.668 ' SG ' HG21 ' B' ' 100' ' ' ILE . 79.9 m -65.28 -31.55 72.74 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.921 0.763 . . . . 74.24 111.771 -178.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.553 ' HA ' HD13 ' B' ' 20' ' ' ILE . 54.7 ttp180 -64.77 -51.11 64.01 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.374 0.669 . . . . 74.21 110.024 175.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -63.27 -35.47 80.47 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.155 0.909 . . . . 72.21 111.496 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -75.55 -19.93 58.99 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.269 0.628 . . . . 73.53 109.882 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -82.59 -30.43 29.54 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.941 0.496 . . . . 74.31 110.07 171.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 26.0 mm-40 -70.21 -34.09 72.48 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 109.811 -0.44 . . . . 61.42 109.811 176.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -128.61 81.75 70.04 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 108.314 -0.995 . . . . 62.12 108.314 175.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.18 -22.6 40.46 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.757 2.305 . . . . 75.14 113.569 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -172.15 -135.81 2.03 Favored Glycine 0 C--N 1.342 0.879 0 N-CA-C 111.414 -0.674 . . . . 54.3 111.414 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.68 -67.54 3.35 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 111.945 -0.462 . . . . 64.14 111.945 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.5 m -138.44 -174.94 3.95 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.269 1.027 . . . . 74.54 109.576 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' B' ' 72' ' ' ASP . . . 100.99 -25.68 27.44 Favored Glycine 0 C--N 1.344 1.002 0 CA-C-N 116.431 -0.35 . . . . 60.34 112.933 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.59 -44.24 78.61 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.33 0.652 . . . . 74.12 110.902 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -91.46 -37.6 13.07 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.411 0.684 . . . . 71.21 110.332 174.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.4 ' HB2' ' HA2' ' B' ' 69' ' ' GLY . 3.3 m-20 -63.06 -37.72 88.34 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.197 0.999 . . . . 74.33 111.501 -174.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mm 56.63 93.22 0.05 OUTLIER Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 124.942 1.297 . . . . 72.52 110.201 -172.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.76 128.05 20.1 Favored 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 122.221 1.947 . . . . 72.13 111.121 -176.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -51.6 -26.28 22.14 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 123.122 2.548 . . . . 72.11 113.293 172.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -54.13 -48.65 70.58 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.274 1.43 . . . . 64.33 111.834 175.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.21 -38.9 92.98 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.206 1.002 . . . . 72.34 111.098 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -72.19 -34.26 68.29 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.068 -0.969 . . . . 74.41 110.547 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.555 ' HA ' ' HG2' ' B' ' 82' ' ' LYS . 53.8 m-20 -79.55 -21.89 44.54 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.356 -0.838 . . . . 43.33 111.787 178.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -65.5 -33.52 76.13 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.159 0.584 . . . . 73.54 109.861 170.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 62.2 m -71.06 -10.67 60.15 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.145 -0.934 . . . . 61.23 112.632 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' B' ' 79' ' ' ASP . 32.6 mmtp -82.18 73.89 9.19 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.199 0.599 . . . . 55.52 109.708 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.423 HG11 HD11 ' B' ' 91' ' ' LEU . 29.4 m -132.75 170.29 20.29 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 C-N-CA 124.979 1.312 . . . . 42.25 108.313 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -69.8 157.89 36.51 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 110.019 -0.363 . . . . 71.55 110.019 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.439 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 0.9 OUTLIER -56.61 -51.85 78.03 Favored Pre-proline 0 CA--C 1.571 1.77 0 C-N-CA 123.75 0.82 . . . . 73.45 111.091 -179.347 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 21.7 Cg_exo -68.63 -39.82 8.46 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 121.815 1.677 . . . . 72.04 112.484 175.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 85.2 m -57.1 -32.16 66.02 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.195 0.998 . . . . 60.32 111.778 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 tt -59.94 -46.43 89.43 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.78 1.232 . . . . 75.03 109.569 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.413 ' HD1' HD12 ' B' ' 92' ' ' ILE . 29.0 m-85 -73.32 -30.52 63.41 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.679 -0.691 . . . . 64.15 111.694 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -60.72 -35.57 76.67 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.941 0.496 . . . . 74.23 110.644 173.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.525 HD21 ' HD2' ' B' ' 53' ' ' LYS . 95.7 mt -69.07 -34.44 75.15 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.634 0.774 . . . . 74.41 111.285 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.413 HD12 ' HD1' ' B' ' 89' ' ' PHE . 44.6 mt -69.91 -41.54 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 123.13 0.572 . . . . 75.24 110.057 176.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.17 -38.87 92.62 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.795 0.838 . . . . 64.23 110.532 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.08 -34.46 64.01 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.692 0.797 . . . . 74.11 110.888 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.598 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -70.22 -29.68 66.57 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.333 0.653 . . . . 71.11 111.49 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -80.06 -41.48 25.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.833 0.853 . . . . 74.44 110.058 173.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -63.72 -35.53 80.87 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.9 0.88 . . . . 73.31 111.678 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.56 HD12 HG11 ' B' ' 54' ' ' VAL . 60.3 mt -96.4 -19.19 19.38 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.037 0.535 . . . . 63.11 110.594 177.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 28.7 t0 50.41 67.28 0.95 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.444 1.498 . . . . 73.11 111.962 -174.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.668 HG21 ' SG ' ' B' ' 58' ' ' CYS . 25.5 mt -103.6 115.07 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 107.569 -1.271 . . . . 64.31 107.569 174.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -63.41 -49.14 80.13 Favored Pre-proline 0 CA--C 1.562 1.429 0 CA-C-O 118.56 -0.733 . . . . 72.44 112.768 -171.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -61.1 -43.9 27.15 Favored 'Trans proline' 0 C--N 1.392 2.851 0 C-N-CA 121.859 1.706 . . . . 62.0 113.142 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.648 ' HG ' HG13 ' B' ' 54' ' ' VAL . 1.6 tm? -63.76 -51.08 66.46 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.361 0.664 . . . . 73.32 109.713 -175.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.88 -44.44 91.12 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.044 -0.98 . . . . 53.33 110.728 -178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.41 ' O ' ' HD3' ' B' ' 109' ' ' LYS . 23.7 t70 -64.67 -51.78 60.72 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.015 0.822 . . . . 71.13 110.841 -175.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.82 -46.0 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.715 0.806 . . . . 63.33 111.373 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 12.5 m -72.15 -32.61 67.05 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.15 0.58 . . . . 74.13 111.908 -175.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 96.1 m -71.02 -39.25 72.48 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 122.763 0.425 . . . . 63.34 110.094 175.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . 0.41 ' HD3' ' O ' ' B' ' 105' ' ' ASP . 1.4 mptm? -67.47 -30.29 69.96 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.603 0.761 . . . . 73.35 110.879 175.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 85.0 m -57.27 -46.04 83.47 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 123.585 0.553 . . . . 44.22 110.571 174.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 13.0 t -71.17 -40.74 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 121.065 0.46 . . . . 71.14 110.26 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.5 71.35 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.156 -0.929 . . . . 53.3 111.466 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -69.88 -35.84 74.98 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.364 0.666 . . . . 71.25 110.689 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 44.3 mtm -69.22 -32.79 72.27 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.025 0.53 . . . . 74.32 111.311 -177.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.9 pt -100.68 -2.59 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 123.097 0.559 . . . . 62.0 111.79 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -57.84 -52.44 65.46 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.875 0.87 . . . . 71.0 112.52 -170.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 N-CA-C 109.396 -1.482 . . . . 74.05 109.396 -170.352 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 110.343 -0.243 . . . . 71.52 110.343 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.4 mt -82.63 117.45 22.6 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.705 0.402 . . . . 73.33 110.649 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.9 m -85.78 130.86 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 N-CA-C 109.42 -0.585 . . . . 72.51 109.42 168.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.534 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 89.2 mttt -86.17 83.14 7.81 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 115.088 -0.96 . . . . 73.11 109.88 -174.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.3 mt -81.02 90.13 5.97 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.3 0.64 . . . . 73.22 110.195 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -79.07 134.27 36.76 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.651 -0.704 . . . . 72.14 110.01 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.9 p -87.0 175.17 8.26 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 124.057 0.943 . . . . 73.23 110.707 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.4 p -70.0 -13.74 62.37 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.288 0.635 . . . . 74.44 111.413 173.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.43 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 27.9 t70 -91.77 5.32 50.3 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.307 1.043 . . . . 74.2 110.316 175.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 77.97 -2.96 2.42 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.185 1.394 . . . . 71.32 112.794 173.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -77.07 125.44 29.33 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 121.171 -0.955 . . . . 75.24 110.367 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 90.8 t -95.28 110.13 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 124.56 1.144 . . . . 73.14 110.214 -174.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -97.58 95.23 7.47 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.49 0.716 . . . . 64.31 109.436 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.534 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 31.8 mt-10 -79.81 78.73 6.38 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 115.056 -0.975 . . . . 62.45 109.64 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.419 HG13 ' NH2' ' A' ' 59' ' ' ARG . 20.5 tt -103.33 157.73 5.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 108.885 -0.783 . . . . 53.1 108.885 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.43 133.6 55.33 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.355 0.662 . . . . 72.44 110.159 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -58.88 -36.86 75.34 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.109 0.881 . . . . 73.11 111.42 -176.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.26 -30.55 68.37 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.98 0.912 . . . . 75.44 112.22 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.9 mt -80.9 -36.68 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 123.21 0.604 . . . . 74.22 109.898 176.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.32 -16.18 62.97 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 115.825 -0.625 . . . . 71.41 111.991 174.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.402 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 71.4 m -75.05 -26.72 59.62 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.508 0.723 . . . . 62.34 111.01 173.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.6 mtp -63.33 -32.67 74.16 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 123.33 0.652 . . . . 74.43 109.635 173.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.603 ' HA ' HG12 ' A' ' 100' ' ' ILE . 44.5 t -73.95 105.16 5.08 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.862 -1.063 . . . . 52.13 108.251 164.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.4 t -67.17 -36.48 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 119.273 -0.394 . . . . 65.25 111.555 -172.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.7 m -64.47 -48.87 73.62 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.603 0.361 . . . . 71.41 111.587 177.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.89 -42.25 95.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.818 0.447 . . . . 73.32 110.021 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 21.0 ttpp -55.43 -50.23 70.34 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.079 0.952 . . . . 72.13 110.196 173.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -64.02 -32.46 74.02 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.349 -0.842 . . . . 71.45 111.084 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 64.7 mtt -65.04 -49.41 70.26 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.109 0.564 . . . . 72.34 110.403 177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.4 mt -61.65 -39.61 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 123.632 0.773 . . . . 62.55 110.49 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -74.85 -34.24 62.25 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.459 0.704 . . . . 72.42 111.704 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -71.27 -38.91 71.83 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.59 0.756 . . . . 73.05 110.755 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -74.2 -29.82 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.176 -0.92 . . . . 71.02 109.473 172.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.1 -56.2 0.75 Allowed Glycine 0 C--N 1.344 1.027 0 N-CA-C 111.086 -0.806 . . . . 74.24 111.086 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -138.51 123.91 19.42 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.588 1.155 . . . . 74.44 108.435 176.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 m -126.64 85.3 2.36 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.053 0.454 . . . . 70.02 110.869 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.78 -34.7 26.96 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.683 -0.689 . . . . 64.51 109.983 173.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 m -63.16 144.5 97.36 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.676 0.79 . . . . 65.34 110.706 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HG3' ' HD2' ' A' ' 5' ' ' LYS . 73.9 Cg_exo -52.88 118.74 5.08 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.969 2.446 . . . . 75.44 112.803 178.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -73.04 111.31 11.0 Favored Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 108.715 -0.846 . . . . 73.14 108.715 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -85.9 123.3 2.38 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.474 2.116 . . . . 63.3 111.103 178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.7 mt -107.22 94.27 10.9 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 107.971 -1.122 . . . . 71.32 107.971 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -72.17 -1.75 10.57 Favored 'Trans proline' 0 C--N 1.38 2.235 0 C-N-CA 123.43 2.754 . . . . 71.32 114.463 -172.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -140.19 72.44 1.4 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.208 0.527 . . . . 74.35 110.847 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 11.3 p -174.2 123.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 114.726 -1.125 . . . . 74.1 108.37 165.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.2 p -69.16 154.14 42.55 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.91 0.484 . . . . 64.24 110.167 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.43 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 57.5 p -60.69 -47.85 84.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.8 0.84 . . . . 64.04 112.898 -171.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 40.0 p -58.82 -46.86 86.67 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 124.05 0.844 . . . . 73.42 111.195 -177.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.556 HG23 HD23 ' A' ' 91' ' ' LEU . 49.2 mm -69.31 -42.44 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.291 0.636 . . . . 74.12 110.595 -178.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.02 -41.94 88.98 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 123.731 0.644 . . . . 65.4 110.276 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -61.3 -47.17 87.2 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.828 0.851 . . . . 72.25 110.92 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 49' ' ' THR . 31.0 mtpp -59.09 -43.98 91.88 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 124.03 0.831 . . . . 70.55 111.208 -178.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.8 t -69.44 -43.64 80.64 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 115.525 -0.761 . . . . 62.33 110.474 -177.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.25 -32.99 73.56 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.237 0.615 . . . . 72.43 111.632 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.32 -44.5 68.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.501 0.721 . . . . 75.35 109.624 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD2' HD23 ' A' ' 103' ' ' LEU . 89.0 t80 -60.58 -45.96 92.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 116.218 -0.447 . . . . 75.21 110.551 175.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 85.5 m -59.81 -36.33 76.54 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.712 0.632 . . . . 74.54 110.656 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' NH2' HG13 ' A' ' 16' ' ' ILE . 35.2 ttm180 -65.69 -42.05 91.66 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.836 0.454 . . . . 75.23 110.92 175.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -62.79 -45.24 93.58 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.227 0.611 . . . . 74.24 111.025 179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -78.37 -14.41 59.41 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.666 -0.697 . . . . 73.14 110.664 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -79.37 -37.48 37.26 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 109.652 -0.499 . . . . 74.54 109.652 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 85.9 mm-40 -72.84 -24.37 60.88 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.503 0.721 . . . . 72.31 110.869 176.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -126.89 73.56 76.06 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.008 0.923 . . . . 74.32 108.661 174.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -89.61 23.1 0.73 Allowed 'Trans proline' 0 C--N 1.385 2.459 0 C-N-CA 123.394 2.729 . . . . 73.25 113.373 -172.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.14 37.27 3.12 Favored Glycine 0 C--N 1.348 1.208 0 CA-C-O 120.022 -0.321 . . . . 72.51 113.586 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.71 -94.89 0.1 OUTLIER Glycine 0 C--N 1.353 1.517 0 C-N-CA 123.298 0.475 . . . . 72.52 112.93 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.7 m -136.2 132.7 36.26 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.45 1.1 . . . . 73.23 108.943 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -116.81 160.76 13.3 Favored Glycine 0 N--CA 1.468 0.799 0 N-CA-C 110.795 -0.922 . . . . 53.42 110.795 174.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.2 tp -86.17 52.73 2.57 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 122.445 1.117 . . . . 73.03 109.098 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -161.74 20.22 0.11 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.173 0.989 . . . . 72.2 108.951 -178.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -85.27 -159.05 0.41 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.034 0.933 . . . . 72.43 109.976 -173.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.7 mm 58.25 67.69 2.1 Favored Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 124.559 1.143 . . . . 62.31 109.633 -166.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -66.33 152.45 80.99 Favored 'Trans proline' 0 C--N 1.377 2.077 0 C-N-CA 122.367 2.045 . . . . 73.35 111.934 173.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.09 -30.89 72.7 Favored 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 122.865 2.377 . . . . 70.14 111.925 172.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -56.54 -50.91 70.47 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 123.778 0.831 . . . . 72.53 111.992 175.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.21 -32.94 73.66 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.718 0.807 . . . . 71.35 111.265 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -65.44 -46.38 80.12 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.995 -0.548 . . . . 73.54 109.948 173.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -69.19 -24.65 64.08 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.745 -0.661 . . . . 72.42 112.055 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CZ ' HD21 ' A' ' 103' ' ' LEU . 58.9 t80 -69.64 -38.55 77.21 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.671 0.788 . . . . 65.43 109.071 175.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.426 ' SG ' HG21 ' A' ' 110' ' ' THR . 65.3 m -71.84 -24.31 61.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.805 -1.089 . . . . 71.24 111.348 177.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.95 76.66 2.18 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.099 0.56 . . . . 71.35 110.099 175.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.444 HG11 ' HE2' ' A' ' 53' ' ' LYS . 16.3 m -142.49 156.6 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.859 1.264 . . . . 72.32 108.203 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.33 164.18 23.45 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.185 0.594 . . . . 70.31 109.872 -175.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.523 ' HA ' HD12 ' A' ' 88' ' ' LEU . 26.0 tp60 -56.56 -48.68 96.68 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 112.907 0.706 . . . . 71.34 112.907 -176.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.47 -35.41 96.08 Favored 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 121.871 1.714 . . . . 62.24 112.67 172.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 m -69.58 -29.98 67.65 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.737 0.815 . . . . 74.1 111.314 -177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 85' ' ' GLN . 78.2 mt -59.72 -47.09 87.02 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.729 0.812 . . . . 73.43 110.187 171.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -65.83 -30.06 70.63 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.496 0.718 . . . . 74.32 111.576 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -66.38 -37.16 84.65 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.506 0.722 . . . . 64.13 111.595 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.556 HD23 HG23 ' A' ' 50' ' ' ILE . 93.1 mt -67.93 -36.53 80.3 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.052 0.541 . . . . 70.24 110.497 175.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.434 HD13 HD13 ' B' ' 92' ' ' ILE . 77.7 mt -67.2 -41.85 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.662 0.785 . . . . 73.41 109.954 175.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.95 -48.39 79.11 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.317 0.647 . . . . 73.34 110.724 177.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.07 -42.88 88.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.411 0.684 . . . . 72.11 111.227 -175.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.4 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -65.45 -41.59 93.25 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.076 0.551 . . . . 75.13 111.624 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -74.06 -32.61 63.37 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.129 0.572 . . . . 74.32 110.759 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -72.04 -38.97 69.41 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.143 0.977 . . . . 70.52 110.771 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.8 mt -91.33 -6.77 52.54 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.778 0.831 . . . . 74.53 111.057 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 t70 54.22 65.05 1.62 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.838 1.255 . . . . 71.32 110.203 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.603 HG12 ' HA ' ' A' ' 24' ' ' SER . 35.2 mt -120.39 90.96 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.404 0 N-CA-C 107.015 -1.476 . . . . 73.43 107.015 178.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -57.18 -45.46 99.92 Favored Pre-proline 0 CA--C 1.564 1.5 0 CA-C-O 118.131 -0.937 . . . . 75.43 111.318 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.413 ' O ' HG23 ' A' ' 106' ' ' VAL . 95.0 Cg_exo -49.34 -56.98 2.63 Favored 'Trans proline' 0 C--N 1.396 3.04 0 C-N-CA 122.193 1.929 . . . . 72.13 114.213 174.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.464 HD23 ' CD2' ' A' ' 57' ' ' TYR . 2.6 tm? -67.21 -39.16 86.26 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.838 0.455 . . . . 65.53 110.537 -175.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.613 HD21 HD21 ' B' ' 104' ' ' LEU . 49.7 tp -62.06 -40.91 97.4 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.889 0.743 . . . . 73.32 110.233 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -73.5 -38.92 65.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.614 -0.721 . . . . 74.02 110.581 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 102' ' ' PRO . 74.4 t -61.53 -46.15 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.984 0.514 . . . . 31.12 110.043 175.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.3 m -65.41 -41.06 94.0 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.031 0.532 . . . . 63.45 110.889 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.467 ' HB3' HD23 ' B' ' 93' ' ' LEU . 97.2 m -65.57 -39.48 91.71 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.533 0.733 . . . . 71.14 110.745 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.8 -51.26 63.12 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.844 0.458 . . . . 75.01 109.886 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.426 HG21 ' SG ' ' A' ' 81' ' ' CYS . 98.4 m -58.07 -51.19 70.71 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.802 0.841 . . . . 70.11 112.03 -175.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.463 ' HA ' ' HE2' ' A' ' 114' ' ' MET . 26.8 m -61.42 -34.4 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 122.674 0.389 . . . . 54.25 110.902 -178.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.408 ' HA ' HD11 ' A' ' 115' ' ' ILE . . . -73.62 -34.18 64.91 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.601 0.76 . . . . 72.41 111.933 177.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -73.52 -39.41 64.81 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.952 0.501 . . . . 74.43 111.148 -178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.463 ' HE2' ' HA ' ' A' ' 111' ' ' VAL . 59.3 mtm -70.36 -40.41 74.07 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.034 0.534 . . . . 75.21 111.526 -175.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' B' ' 86' ' ' PRO . 18.6 pt -69.8 -24.57 26.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 C-N-CA 123.057 0.543 . . . . 72.43 111.893 179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -90.16 -19.59 24.07 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.461 0.704 . . . . 74.41 110.616 174.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.321 0 CA-C-O 118.999 -0.89 . . . . 45.24 112.475 -178.001 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.617 0.246 . . . . 74.0 110.654 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.8 mt -81.75 117.42 22.05 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.036 0.534 . . . . 53.3 110.642 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 m -86.08 129.68 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 109.502 -0.555 . . . . 74.1 109.502 169.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.53 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 88.1 mttt -85.43 83.41 7.95 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.097 -0.956 . . . . 70.35 109.872 -174.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.49 89.74 6.18 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.753 -0.658 . . . . 74.45 110.209 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -78.76 134.41 37.03 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.71 -0.677 . . . . 55.1 109.956 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 54.1 p -86.69 176.49 7.74 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 123.982 0.913 . . . . 44.4 110.672 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 80.1 p -70.78 -13.92 62.23 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.129 0.572 . . . . 70.03 111.291 172.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.419 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 28.2 t70 -92.06 4.85 52.2 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.549 1.14 . . . . 61.11 110.517 175.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 77.94 -2.51 2.47 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.228 1.411 . . . . 73.04 112.771 172.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -76.7 125.64 29.61 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 121.399 -0.813 . . . . 71.43 110.063 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 90.5 t -95.59 111.76 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.582 1.153 . . . . 65.54 109.984 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -98.72 95.36 7.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.833 0.853 . . . . 74.24 109.525 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.53 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 31.9 mt-10 -81.02 78.21 7.85 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.158 -0.928 . . . . 74.52 109.527 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.425 HG13 ' NH2' ' B' ' 59' ' ' ARG . 20.5 tt -102.61 158.06 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.074 -0.713 . . . . 71.03 109.074 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -57.1 133.04 54.65 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.367 0.667 . . . . 53.22 110.085 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -58.3 -36.81 73.89 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 124.23 0.956 . . . . 63.2 111.541 -176.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.25 -29.76 68.98 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.969 0.908 . . . . 65.52 112.281 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 39.3 mt -81.18 -36.9 15.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 C-N-CA 123.313 0.645 . . . . 54.31 109.803 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.43 -16.15 62.91 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.906 -0.588 . . . . 74.43 112.065 174.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 75.7 m -74.11 -28.94 61.6 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.339 0.655 . . . . 41.2 110.54 173.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 81.1 mtp -60.94 -33.21 72.82 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.473 0.709 . . . . 74.1 109.939 173.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.598 ' HA ' HG12 ' B' ' 100' ' ' ILE . 44.3 t -73.72 105.77 5.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.704 -1.134 . . . . 75.13 108.224 165.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 62.4 t -67.38 -36.77 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 122.577 0.351 . . . . 72.01 111.621 -172.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 95.4 m -63.95 -49.4 72.71 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.737 0.415 . . . . 74.54 111.613 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.8 -42.18 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 122.804 0.442 . . . . 35.21 109.983 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -55.2 -50.31 69.7 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.086 0.954 . . . . 74.03 110.211 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -64.35 -32.17 73.67 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 115.426 -0.806 . . . . 65.44 111.09 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.8 mtt -64.96 -49.25 71.04 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.152 0.581 . . . . 74.02 110.398 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.81 -39.56 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 C-N-CA 123.644 0.777 . . . . 54.02 110.567 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -74.23 -35.33 63.85 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.465 0.706 . . . . 71.44 111.724 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.23 -39.67 74.95 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.682 0.793 . . . . 74.32 110.614 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.73 -28.33 21.64 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 115.385 -0.825 . . . . 61.4 109.727 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.15 -58.19 0.77 Allowed Glycine 0 C--N 1.345 1.046 0 N-CA-C 110.906 -0.878 . . . . 74.1 110.906 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -137.01 125.12 22.95 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.59 1.156 . . . . 73.02 107.983 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 32.8 m -127.89 81.12 2.0 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.81 0.444 . . . . 74.25 110.877 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -79.79 -32.85 40.87 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 115.773 -0.648 . . . . 72.14 110.125 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 24.0 m -64.13 144.63 98.27 Favored Pre-proline 0 CA--C 1.548 0.897 0 C-N-CA 123.752 0.821 . . . . 63.15 110.846 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.413 ' HG3' ' HD2' ' B' ' 5' ' ' LYS . 73.3 Cg_exo -52.36 120.8 7.91 Favored 'Trans proline' 0 C--N 1.384 2.419 0 C-N-CA 122.791 2.327 . . . . 61.51 112.368 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -74.94 112.01 15.92 Favored Pre-proline 0 CA--C 1.551 1.005 0 N-CA-C 108.761 -0.829 . . . . 75.15 108.761 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -85.56 124.55 2.73 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.67 2.246 . . . . 51.41 111.161 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.5 mt -108.33 93.83 12.23 Favored Pre-proline 0 CA--C 1.544 0.744 0 N-CA-C 107.998 -1.112 . . . . 75.23 107.998 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -71.6 -2.73 11.8 Favored 'Trans proline' 0 C--N 1.383 2.369 0 C-N-CA 123.392 2.728 . . . . 74.34 114.306 -172.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -139.29 72.53 1.4 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.258 0.551 . . . . 74.0 110.806 177.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 11.5 p -174.32 124.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 114.748 -1.115 . . . . 73.22 108.341 165.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 42.3 p -70.06 154.19 42.25 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 122.915 0.486 . . . . 45.33 110.085 177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.419 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 65.8 p -60.51 -48.07 83.39 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.985 0.914 . . . . 71.55 112.839 -172.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.483 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 36.3 p -58.9 -46.99 86.55 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.049 0.843 . . . . 75.31 110.895 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.573 HG23 HD23 ' B' ' 91' ' ' LEU . 49.5 mm -69.01 -42.28 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.25 0.62 . . . . 71.45 110.922 -178.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.16 -42.33 90.47 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.392 0.677 . . . . 54.22 110.225 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -61.67 -46.46 89.65 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.91 0.884 . . . . 71.32 110.712 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' B' ' 49' ' ' THR . 31.0 mtpp -58.72 -44.23 90.37 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.925 0.766 . . . . 72.32 111.281 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 98.1 t -70.08 -43.2 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-N 115.472 -0.785 . . . . 73.21 110.625 -177.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.33 -33.3 74.05 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.282 0.633 . . . . 61.13 111.443 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.36 -44.31 68.37 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.486 0.715 . . . . 73.45 109.709 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . 0.463 ' CD2' HD23 ' B' ' 103' ' ' LEU . 88.6 t80 -60.63 -45.79 92.74 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.768 0.427 . . . . 65.45 110.446 175.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 89.5 m -59.59 -36.72 76.82 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 123.814 0.696 . . . . 71.03 110.683 177.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.425 ' NH2' HG13 ' B' ' 16' ' ' ILE . 35.1 ttm180 -65.06 -42.48 94.15 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.998 0.519 . . . . 73.44 110.996 175.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -62.59 -45.59 92.19 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.182 0.593 . . . . 73.34 110.866 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -77.68 -14.22 59.68 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.587 -0.733 . . . . 74.31 110.846 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -80.39 -36.12 34.35 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.645 -0.502 . . . . 74.34 109.645 173.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -73.53 -24.49 60.14 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.288 0.635 . . . . 61.31 110.71 175.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -126.76 73.99 75.43 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 124.118 0.967 . . . . 64.13 108.513 174.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -90.24 24.37 0.62 Allowed 'Trans proline' 0 C--N 1.385 2.469 0 C-N-CA 123.348 2.699 . . . . 63.23 113.306 -173.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -88.59 39.53 3.12 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 123.368 0.418 . . . . 71.23 112.955 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.0 -95.4 0.09 OUTLIER Glycine 0 C--N 1.353 1.526 0 C-N-CA 123.358 0.504 . . . . 73.32 112.963 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 70.0 m -136.79 132.57 34.89 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.471 1.108 . . . . 65.42 109.19 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -115.99 160.78 13.17 Favored Glycine 0 C--N 1.339 0.702 0 N-CA-C 111.094 -0.802 . . . . 61.52 111.094 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 48.2 tp -85.13 48.39 1.56 Allowed 'General case' 0 CA--C 1.563 1.472 0 CA-C-O 122.462 1.125 . . . . 71.31 110.091 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -159.07 22.57 0.2 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.232 1.013 . . . . 64.32 108.471 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -85.6 -159.32 0.44 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.402 1.081 . . . . 71.03 109.959 -174.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 34.0 mm 57.64 67.39 2.4 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 124.521 1.128 . . . . 73.44 109.825 -167.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -65.98 152.5 81.19 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.512 2.142 . . . . 75.44 111.813 173.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.8 -31.26 71.53 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 123.005 2.47 . . . . 74.21 111.973 172.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -56.3 -50.29 71.83 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.65 0.78 . . . . 71.14 112.105 175.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.05 -32.4 73.76 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.748 0.819 . . . . 72.45 111.334 -176.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -65.51 -46.63 78.9 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 123.83 0.707 . . . . 73.41 109.873 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -69.56 -24.26 63.68 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.319 0.648 . . . . 63.22 112.069 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.438 ' CZ ' HD21 ' B' ' 103' ' ' LEU . 58.8 t80 -70.1 -38.47 75.66 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.598 0.759 . . . . 73.33 109.175 175.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . 0.44 ' SG ' HG21 ' B' ' 110' ' ' THR . 72.4 m -72.04 -24.9 61.61 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.833 -1.076 . . . . 72.13 111.443 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -74.68 78.44 2.03 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.938 0.495 . . . . 74.2 109.745 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.439 HG11 ' HE2' ' B' ' 53' ' ' LYS . 16.4 m -143.8 154.72 15.9 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 C-N-CA 125.03 1.332 . . . . 62.01 107.86 175.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -67.99 163.55 21.98 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.302 0.641 . . . . 54.11 109.657 -175.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.513 ' HA ' HD12 ' B' ' 88' ' ' LEU . 27.4 tp60 -56.3 -47.35 99.04 Favored Pre-proline 0 N--CA 1.488 1.466 0 CA-C-O 118.84 -0.6 . . . . 71.3 112.524 -176.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.679 ' HA ' HD12 ' A' ' 115' ' ' ILE . 24.3 Cg_endo -60.34 -35.41 91.38 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 121.522 1.482 . . . . 72.54 113.631 173.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 4.1 m -69.87 -29.6 66.86 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 123.977 0.911 . . . . 72.13 111.241 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' B' ' 85' ' ' GLN . 77.9 mt -59.17 -47.41 85.39 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.837 0.855 . . . . 74.12 110.662 171.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -66.73 -29.38 69.35 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.45 -0.795 . . . . 63.43 111.698 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -66.4 -36.83 83.82 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.61 0.764 . . . . 60.31 111.692 173.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.573 HD23 HG23 ' B' ' 50' ' ' ILE . 94.1 mt -67.91 -36.72 80.67 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.169 0.588 . . . . 74.52 110.421 175.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.434 HD13 HD13 ' A' ' 92' ' ' ILE . 77.0 mt -67.12 -41.8 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.675 0.79 . . . . 54.42 109.921 175.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 108' ' ' CYS . 10.9 mt -61.89 -49.52 75.88 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.288 0.635 . . . . 44.23 111.045 176.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.42 89.22 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.906 0.754 . . . . 73.12 111.093 -174.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.54 92.61 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.03 0.532 . . . . 75.32 111.255 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -73.76 -34.54 64.74 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.006 0.522 . . . . 65.3 110.698 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -70.84 -38.26 73.18 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.862 0.865 . . . . 75.34 110.783 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 89.0 mt -91.4 -6.92 52.1 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.757 0.823 . . . . 70.12 110.976 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.9 t70 54.19 65.51 1.49 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.959 1.303 . . . . 73.13 110.081 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.598 HG12 ' HA ' ' B' ' 24' ' ' SER . 35.6 mt -120.51 91.25 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 107.029 -1.471 . . . . 72.21 107.029 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -57.79 -44.94 99.8 Favored Pre-proline 0 CA--C 1.567 1.601 0 CA-C-O 118.008 -0.996 . . . . 71.31 111.282 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . 0.417 ' O ' HG23 ' B' ' 106' ' ' VAL . 95.3 Cg_exo -49.35 -57.08 2.56 Favored 'Trans proline' 0 C--N 1.396 3.039 0 C-N-CA 122.169 1.913 . . . . 61.05 114.207 173.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.463 HD23 ' CD2' ' B' ' 57' ' ' TYR . 2.6 tm? -67.27 -38.94 85.91 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.804 0.442 . . . . 75.41 110.527 -175.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.613 HD21 HD21 ' A' ' 104' ' ' LEU . 53.1 tp -61.89 -42.28 98.88 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.922 0.764 . . . . 75.04 110.384 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -73.46 -38.07 65.57 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.541 -0.754 . . . . 63.22 110.21 -175.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 102' ' ' PRO . 75.0 t -61.15 -46.56 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 122.955 0.502 . . . . 74.11 110.001 174.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 56.6 m -65.23 -40.87 94.64 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.199 0.6 . . . . 63.3 111.115 178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 93.1 m -66.19 -37.42 85.56 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.559 0.744 . . . . 74.23 110.876 -179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.94 -51.1 59.34 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 122.739 0.416 . . . . 72.45 109.882 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . 0.44 HG21 ' SG ' ' B' ' 81' ' ' CYS . 98.6 m -57.51 -51.33 69.89 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.039 0.837 . . . . 53.52 111.949 -175.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.436 ' HA ' ' HE2' ' B' ' 114' ' ' MET . 35.6 m -61.82 -34.69 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 122.73 0.412 . . . . 72.31 110.714 -178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.1 -34.84 66.43 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.347 0.659 . . . . 73.4 111.275 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -72.59 -40.3 66.67 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.173 0.589 . . . . 64.13 110.944 -178.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . 0.436 ' HE2' ' HA ' ' B' ' 111' ' ' VAL . 63.6 mtm -70.31 -40.02 74.47 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.014 0.526 . . . . 63.2 111.479 -175.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.6 pt -71.0 -22.34 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 122.665 0.386 . . . . 52.42 111.792 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -91.29 -18.92 23.58 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.669 0.787 . . . . 75.25 110.743 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.282 0 CA-C-O 118.988 -0.896 . . . . 62.25 112.478 -178.326 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.242 0.704 0 CA-C-O 120.61 0.243 . . . . 63.31 110.492 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.5 mt -84.61 123.17 30.03 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.254 -0.647 . . . . 75.15 109.254 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.574 HG12 ' HA ' ' A' ' 38' ' ' ASP . 13.8 m -89.25 136.01 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 109.062 -0.718 . . . . 74.31 109.062 168.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 64.2 mttp -83.8 120.0 25.51 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.585 -0.734 . . . . 74.14 109.674 -178.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.465 HD21 HD13 ' A' ' 27' ' ' ILE . 9.2 mp -109.41 95.83 5.88 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.563 0.745 . . . . 54.22 109.265 177.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -80.75 121.85 26.42 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.91 -0.774 . . . . 64.44 108.91 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -82.35 174.99 10.61 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.349 0.66 . . . . 73.44 110.811 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.6 t -65.59 -22.08 66.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.93 0.892 . . . . 61.31 111.181 172.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.45 5.12 36.64 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.951 0.901 . . . . 61.13 111.031 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 74.01 5.45 4.74 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.938 1.295 . . . . 73.15 112.784 171.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -90.79 127.72 36.44 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.019 0.528 . . . . 73.43 109.888 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.6 t -96.33 124.05 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 C-N-CA 124.294 1.038 . . . . 75.24 110.447 -175.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -109.4 106.46 16.25 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.398 1.079 . . . . 70.21 109.119 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 41.4 mt-10 -77.98 83.38 4.29 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.104 0.562 . . . . 73.22 109.487 178.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.5 151.97 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 108.7 -0.852 . . . . 72.21 108.7 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.15 132.36 53.45 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.272 0.629 . . . . 63.25 109.435 175.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -53.42 -40.5 65.19 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.089 0.868 . . . . 72.23 111.351 -175.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -61.08 -33.91 74.07 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.953 0.901 . . . . 50.23 112.446 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.4 mt -79.05 -31.84 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 C-N-CA 123.371 0.668 . . . . 64.14 110.123 177.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.3 -21.05 59.91 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.161 0.584 . . . . 61.14 111.92 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.6 m -73.48 -23.23 60.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.566 0.746 . . . . 52.12 111.765 175.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 79.7 mtp -60.84 -38.05 84.15 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.442 0.639 . . . . 73.25 110.293 173.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.421 ' HA ' HG12 ' A' ' 100' ' ' ILE . 48.0 t -73.72 112.86 10.22 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 114.545 -1.207 . . . . 74.11 108.434 170.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.58 -45.08 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 123.177 0.591 . . . . 54.33 111.219 -175.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.4 m -64.84 -48.93 72.56 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.093 0.557 . . . . 71.05 111.864 -177.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.465 HD13 HD21 ' A' ' 6' ' ' LEU . 92.8 mt -62.61 -41.31 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 C-N-CA 123.181 0.592 . . . . 72.03 110.399 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -56.98 -47.66 80.25 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.091 0.956 . . . . 71.0 110.249 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -65.52 -32.65 74.36 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.43 0.692 . . . . 75.44 111.291 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.9 mtt -63.76 -43.99 94.77 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.193 0.597 . . . . 74.43 110.718 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -67.56 -43.26 87.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.585 -0.734 . . . . 74.54 110.121 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.7 -27.91 65.39 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.556 0.743 . . . . 71.13 111.833 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.14 -39.49 71.95 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.492 0.717 . . . . 62.13 110.315 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.6 mt -79.81 -11.5 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 CA-C-N 115.19 -0.914 . . . . 65.22 109.502 172.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.88 -73.23 1.18 Allowed Glycine 0 C--N 1.348 1.221 0 N-CA-C 110.64 -0.984 . . . . 22.41 110.64 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -137.79 107.39 6.2 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.386 -0.968 . . . . 75.32 108.386 177.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.7 p -141.56 106.39 4.92 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.056 0.542 . . . . 72.23 111.033 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.574 ' HA ' HG12 ' A' ' 4' ' ' VAL . 8.8 p-10 -89.48 -17.03 29.45 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.832 0.853 . . . . 54.11 109.828 168.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.4 m -56.95 151.66 32.33 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 124.936 1.295 . . . . 55.13 111.757 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.16 105.91 0.13 Allowed 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 123.266 2.644 . . . . 51.44 114.03 -173.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -71.39 108.58 4.04 Favored Pre-proline 0 CA--C 1.558 1.255 0 N-CA-C 108.229 -1.026 . . . . 75.05 108.229 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.11 126.36 7.77 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.352 2.034 . . . . 75.24 111.06 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.6 mt -115.31 88.27 18.19 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.139 0.976 . . . . 65.24 108.702 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -85.78 62.74 5.41 Favored 'Trans proline' 0 C--N 1.38 2.229 0 C-N-CA 123.564 2.843 . . . . 42.34 111.414 -174.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -161.94 -58.02 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.004 -0.998 . . . . 75.45 108.846 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.63 128.64 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.006 0 CA-C-N 115.468 -0.787 . . . . 71.31 110.037 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.8 p -80.26 175.7 10.42 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.235 0.614 . . . . 73.42 110.703 178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.9 p -65.79 -47.82 73.83 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.57 0.748 . . . . 55.42 112.38 -173.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.8 p -63.28 -39.33 94.29 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 123.633 0.773 . . . . 51.41 111.134 -176.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.665 HG23 HD23 ' A' ' 91' ' ' LEU . 50.4 mm -72.81 -46.52 52.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.23 -0.896 . . . . 71.42 109.765 -178.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.446 HD21 ' HB3' ' A' ' 6' ' ' LEU . 44.9 tp -62.7 -34.67 77.63 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.345 0.658 . . . . 71.22 111.203 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.5 -51.82 67.84 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.03 0.932 . . . . 72.12 110.152 176.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HB3' ' HE1' ' A' ' 80' ' ' PHE . 28.4 mtmm -62.12 -41.94 98.74 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.101 -0.954 . . . . 71.02 111.904 178.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.26 -45.89 97.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 C-N-CA 123.74 0.816 . . . . 73.14 110.781 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.03 -36.0 72.2 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.938 0.495 . . . . 74.41 111.171 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.462 ' HA ' ' HD2' ' A' ' 59' ' ' ARG . 33.3 t70 -70.83 -35.62 72.54 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.77 0.669 . . . . 71.34 110.654 -177.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -66.23 -44.98 82.27 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.976 -0.556 . . . . 74.12 109.751 174.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 91.0 m -62.38 -30.61 71.32 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.778 0.831 . . . . 74.53 111.738 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.462 ' HD2' ' HA ' ' A' ' 56' ' ' ASP . 90.2 mtt-85 -56.99 -53.91 52.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.106 0.563 . . . . 74.52 110.531 172.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -59.11 -42.72 91.2 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 123.704 0.627 . . . . 61.04 111.395 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -63.26 -31.91 73.18 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 123.879 0.737 . . . . 73.04 111.245 -178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -82.76 -46.31 13.29 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.638 0.775 . . . . 74.24 112.124 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -70.94 -28.35 64.42 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.889 0.875 . . . . 74.21 110.89 -175.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -120.37 86.27 38.5 Favored Pre-proline 0 C--O 1.242 0.706 0 N-CA-C 107.321 -1.363 . . . . 71.11 107.321 170.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -53.37 99.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.382 2.294 0 C-N-CA 123.288 2.658 . . . . 61.23 113.329 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.7 -95.37 0.1 Allowed Glycine 0 C--N 1.336 0.537 0 N-CA-C 109.997 -1.241 . . . . 71.41 109.997 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.39 -141.22 12.61 Favored Glycine 0 C--N 1.349 1.263 0 C-N-CA 122.933 0.301 . . . . 62.11 112.67 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.0 m -75.5 104.06 5.89 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.254 0.622 . . . . 51.33 110.161 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.32 150.17 50.8 Favored Glycine 0 C--N 1.345 1.053 0 O-C-N 123.707 0.629 . . . . 74.13 112.228 173.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.59 99.71 0.46 Allowed 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.991 0.916 . . . . 61.1 109.6 -175.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t70 74.28 -5.25 2.12 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 125.57 1.548 . . . . 62.32 111.598 -176.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.96 -64.09 1.12 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.742 0.817 . . . . 72.44 109.568 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm 56.97 101.37 0.04 OUTLIER Pre-proline 0 CA--C 1.563 1.462 0 C-N-CA 125.291 1.437 . . . . 74.53 111.829 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.9 148.37 88.9 Favored 'Trans proline' 0 C--N 1.375 1.966 0 C-N-CA 122.866 2.377 . . . . 73.11 113.45 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -48.44 -57.27 2.45 Favored 'Trans proline' 0 C--N 1.387 2.605 0 C-N-CA 124.613 3.542 . . . . 64.0 115.527 -171.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -52.75 -45.84 67.22 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 123.228 0.611 . . . . 74.23 111.202 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.82 -26.96 62.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.686 1.194 . . . . 73.1 110.529 -171.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -74.11 -37.06 64.24 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.797 0.839 . . . . 74.21 110.326 173.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.415 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 12.5 m-20 -70.46 -28.4 64.98 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 122.863 0.465 . . . . 72.0 110.922 174.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.429 ' HE1' ' HB3' ' A' ' 53' ' ' LYS . 79.8 t80 -63.52 -36.14 82.79 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.834 0.854 . . . . 74.14 110.487 175.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 58.8 m -65.7 -28.65 69.22 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.66 -0.7 . . . . 75.34 111.69 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.415 ' HE2' ' HA ' ' A' ' 79' ' ' ASP . 49.6 mtmt -91.08 86.98 6.39 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.14 0.576 . . . . 71.25 109.716 -177.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.77 -179.23 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.26 1.024 . . . . 63.44 109.283 173.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.31 152.15 45.86 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 123.499 0.72 . . . . 73.21 109.554 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -59.09 -53.5 65.71 Favored Pre-proline 0 CA--C 1.569 1.694 0 C-N-CA 123.625 0.77 . . . . 72.44 112.692 -172.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 53.7 Cg_exo -57.29 -43.51 51.74 Favored 'Trans proline' 0 C--N 1.39 2.734 0 C-N-CA 122.163 1.909 . . . . 45.4 112.728 171.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.1 m -57.86 -33.56 68.8 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.595 1.158 . . . . 71.54 112.024 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.44 -45.42 83.9 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.958 0.903 . . . . 72.24 109.239 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -67.38 -31.15 71.19 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.961 -0.563 . . . . 75.11 111.414 177.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 23.5 mm-40 -66.4 -36.65 83.36 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.974 0.51 . . . . 72.25 111.105 175.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.665 HD23 HG23 ' A' ' 50' ' ' ILE . 97.6 mt -68.16 -35.77 78.6 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.487 0.715 . . . . 61.3 110.815 175.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.58 -46.03 90.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.364 0.666 . . . . 63.25 109.977 175.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.39 -38.68 92.09 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.852 0.861 . . . . 61.54 111.022 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.78 -37.52 70.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.685 0.794 . . . . 70.41 111.152 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.513 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -69.16 -29.03 66.97 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.397 0.679 . . . . 52.45 111.719 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' B' ' 105' ' ' ASP . 20.5 t30 -76.22 -50.02 15.6 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.882 0.873 . . . . 60.15 110.336 172.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -61.67 -36.34 80.55 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.34 1.056 . . . . 63.33 111.93 -175.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.8 mt -99.54 -13.01 19.63 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.6 0.76 . . . . 70.14 111.119 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.1 t70 47.11 82.84 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.435 1.494 . . . . 65.24 112.09 -172.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.421 HG12 ' HA ' ' A' ' 24' ' ' SER . 38.5 mt -125.83 103.55 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 107.431 -1.322 . . . . 72.45 107.431 174.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -57.1 -46.64 99.84 Favored Pre-proline 0 CA--C 1.561 1.388 0 C-N-CA 124.095 0.958 . . . . 74.12 113.432 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -57.3 -38.39 94.95 Favored 'Trans proline' 0 C--N 1.397 3.094 0 C-N-CA 122.147 1.898 . . . . 74.15 113.516 174.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.513 HD12 ' HB2' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -70.71 -46.95 62.15 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.914 -0.773 . . . . 71.15 108.914 -179.165 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.3 tp -65.11 -47.91 75.5 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.632 -1.167 . . . . 73.03 111.012 -172.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.509 ' HA ' HD21 ' B' ' 96' ' ' ASN . 34.7 t70 -62.15 -51.01 69.58 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 124.23 0.956 . . . . 72.33 110.736 -175.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 37.6 t -61.09 -52.65 59.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 O-C-N 124.217 0.948 . . . . 70.31 112.373 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.483 HG21 ' HB2' ' A' ' 91' ' ' LEU . 31.1 m -68.96 -41.13 78.41 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 111.976 0.361 . . . . 63.11 111.976 -172.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 85.7 m -70.07 -30.61 67.9 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.039 0.536 . . . . 73.34 110.88 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' A' ' 109' ' ' LYS . 31.9 ttmt -73.52 -32.16 64.09 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.435 0.694 . . . . 74.24 110.068 176.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.1 m -62.91 -49.03 76.41 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.392 0.677 . . . . 64.21 111.399 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 p -65.05 -33.21 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 123.028 0.205 . . . . 54.31 110.453 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.25 -30.3 70.16 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.671 0.788 . . . . 74.03 111.797 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -79.12 -31.08 44.04 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.675 0.79 . . . . 51.21 110.671 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 41.1 mtm -70.53 -43.9 68.65 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.975 0.51 . . . . 71.12 110.472 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 pt -71.78 -32.73 45.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 N-CA-C 109.592 -0.521 . . . . 74.01 109.592 175.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 54.42 82.87 0.08 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.067 1.347 . . . . 73.55 111.703 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.251 0 CA-C-O 118.98 -0.9 . . . . 64.13 113.133 178.019 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.689 0.281 . . . . 75.33 110.436 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 80.5 mt -87.03 121.84 30.04 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.771 -0.65 . . . . 72.2 109.605 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' B' ' 38' ' ' ASP . 12.7 m -87.56 136.09 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 108.985 -0.746 . . . . 65.41 108.985 169.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.587 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 64.1 mttp -83.96 120.23 25.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.581 -0.736 . . . . 71.41 109.656 -179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.468 HD21 HD13 ' B' ' 27' ' ' ILE . 9.2 mp -109.7 95.54 5.67 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.683 0.793 . . . . 55.54 109.265 177.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.64 121.99 26.54 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.017 -0.735 . . . . 73.4 109.017 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -82.51 175.19 10.4 Favored 'General case' 0 C--O 1.241 0.626 0 C-N-CA 123.381 0.673 . . . . 75.12 111.114 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 37.1 t -64.33 -24.28 67.59 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.049 0.94 . . . . 64.44 111.17 172.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -85.63 5.79 30.29 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 123.817 0.847 . . . . 75.23 110.849 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 73.31 6.4 5.16 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 124.785 1.234 . . . . 75.24 112.822 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.06 128.54 37.94 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.029 0.531 . . . . 62.23 109.724 176.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 80.3 t -97.72 123.37 50.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 124.242 1.017 . . . . 71.0 110.334 -174.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -108.92 106.19 16.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.303 1.041 . . . . 73.44 109.171 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.587 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 40.3 mt-10 -77.89 83.13 4.23 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 123.228 0.611 . . . . 75.12 109.498 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.6 tp -90.16 151.92 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.338 -0.846 . . . . 62.51 108.816 178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -60.48 132.42 53.85 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 109.368 -0.604 . . . . 53.34 109.368 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -53.64 -39.82 65.32 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 124.119 0.887 . . . . 72.55 111.454 -175.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.07 -35.92 78.24 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 124.058 0.849 . . . . 71.22 111.862 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 52.1 mt -76.73 -32.52 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 123.769 0.828 . . . . 73.44 110.333 178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.36 -20.58 60.03 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.107 0.563 . . . . 52.12 112.036 176.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 74.4 m -74.05 -22.99 59.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.675 0.79 . . . . 72.33 111.679 175.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 81.9 mtp -61.5 -37.79 84.99 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.454 0.645 . . . . 51.42 110.203 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.432 ' HA ' HG12 ' B' ' 100' ' ' ILE . 48.4 t -73.55 112.97 10.14 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.563 -1.199 . . . . 71.32 108.579 169.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 97.3 t -63.81 -45.3 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 123.285 0.634 . . . . 74.04 111.324 -175.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 38.0 m -64.32 -48.71 74.57 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.202 0.601 . . . . 53.05 112.09 -177.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.468 HD13 HD21 ' B' ' 6' ' ' LEU . 93.5 mt -62.99 -41.51 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 123.235 0.614 . . . . 72.33 110.26 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -56.35 -48.4 76.87 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.195 0.998 . . . . 73.04 110.331 174.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.92 -31.86 73.03 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.496 0.718 . . . . 70.05 111.284 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 60.6 mtt -64.53 -43.7 93.16 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.183 0.593 . . . . 63.21 110.639 177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -67.22 -43.01 88.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.577 -0.738 . . . . 74.3 110.067 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -70.42 -27.9 64.64 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.747 0.819 . . . . 65.31 112.04 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -70.16 -41.22 74.11 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.716 0.806 . . . . 70.14 110.234 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 57.7 mt -77.6 -14.49 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 CA-C-N 114.987 -1.006 . . . . 64.33 109.461 172.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.59 -73.1 0.9 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 110.741 -0.944 . . . . 53.34 110.741 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -137.48 107.13 6.19 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 108.389 -0.967 . . . . 73.14 108.389 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 38.4 p -142.03 106.61 4.85 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.255 0.622 . . . . 73.31 111.073 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.583 ' HA ' HG12 ' B' ' 4' ' ' VAL . 8.8 p-10 -91.54 -12.96 32.95 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.67 0.788 . . . . 73.22 110.045 169.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -58.87 151.91 51.86 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 124.73 1.212 . . . . 50.15 111.593 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.23 106.69 0.15 Allowed 'Trans proline' 0 C--N 1.386 2.504 0 C-N-CA 123.237 2.625 . . . . 44.31 113.777 -174.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 5.0 mp -72.34 108.97 4.92 Favored Pre-proline 0 CA--C 1.555 1.137 0 N-CA-C 108.009 -1.108 . . . . 73.22 108.009 171.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.7 127.61 8.88 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.242 1.961 . . . . 72.12 110.834 179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.1 mt -116.68 88.11 23.74 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.051 0.94 . . . . 73.05 108.666 -177.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -85.73 63.12 5.51 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 123.65 2.9 . . . . 63.54 111.679 -173.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -162.62 -56.8 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.009 -0.996 . . . . 73.33 108.882 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -86.52 128.46 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.911 0 CA-C-N 115.382 -0.826 . . . . 74.13 110.119 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 77.4 p -79.86 174.76 11.26 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.216 0.607 . . . . 72.23 110.617 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 70.5 p -64.75 -48.18 75.5 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.445 0.698 . . . . 50.41 112.233 -173.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -63.32 -39.01 93.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.735 0.814 . . . . 72.21 111.045 -176.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.664 HG23 HD23 ' B' ' 91' ' ' LEU . 50.2 mm -72.95 -46.7 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 115.232 -0.894 . . . . 41.24 109.719 -178.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' B' ' 6' ' ' LEU . 45.2 tp -62.5 -34.83 77.64 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.572 0.749 . . . . 52.34 111.124 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -52.04 66.79 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.997 0.919 . . . . 64.21 109.952 176.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.412 ' HB3' ' HE1' ' B' ' 80' ' ' PHE . 28.4 mtmm -61.93 -41.65 98.19 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.087 -0.961 . . . . 71.2 111.802 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.35 -45.58 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 123.751 0.821 . . . . 72.42 110.86 -178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 94.4 mt -71.4 -36.18 71.28 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 116.108 -0.496 . . . . 65.13 111.179 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' B' ' 59' ' ' ARG . 35.8 t70 -71.21 -35.46 71.52 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.834 0.709 . . . . 73.12 110.717 -177.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -65.52 -45.06 84.96 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 122.937 0.495 . . . . 74.24 109.88 174.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 92.7 m -62.43 -30.45 71.24 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.62 0.768 . . . . 72.43 111.74 177.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' B' ' 56' ' ' ASP . 90.4 mtt-85 -57.23 -53.75 54.62 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.081 0.553 . . . . 73.32 110.507 172.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -59.17 -43.35 92.14 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 123.653 0.596 . . . . 75.43 111.431 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -62.48 -33.65 75.28 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.984 0.803 . . . . 73.25 111.125 -178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -80.95 -46.96 14.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.495 0.718 . . . . 75.41 111.825 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -70.45 -27.94 64.64 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 124.023 0.929 . . . . 73.21 111.003 -174.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -121.05 85.22 40.64 Favored Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 107.2 -1.407 . . . . 74.41 107.2 171.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -53.73 97.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.386 2.504 0 C-N-CA 123.613 2.875 . . . . 70.13 113.203 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.59 -94.03 0.1 OUTLIER Glycine 0 C--N 1.332 0.354 0 N-CA-C 109.789 -1.324 . . . . 74.02 109.789 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 126.59 -140.91 12.32 Favored Glycine 0 C--N 1.348 1.234 0 C-N-CA 122.956 0.313 . . . . 72.53 113.05 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 49.8 m -77.1 103.82 7.25 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 123.574 0.75 . . . . 52.51 110.166 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.65 151.06 51.05 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 115.788 -0.642 . . . . 52.22 112.559 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.03 99.65 0.37 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.076 0.95 . . . . 74.52 109.63 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 26.5 t70 73.94 -5.4 2.04 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 125.829 1.652 . . . . 64.41 111.959 -176.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -73.69 -64.91 0.9 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.797 0.839 . . . . 73.11 109.544 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 37.6 mm 56.7 100.78 0.04 OUTLIER Pre-proline 0 CA--C 1.563 1.467 0 C-N-CA 125.033 1.333 . . . . 75.14 111.778 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.61 148.26 88.31 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.89 2.393 . . . . 62.04 113.19 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.63 -55.75 3.81 Favored 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 124.664 3.576 . . . . 53.05 115.459 -171.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -53.66 -46.87 70.73 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.342 0.657 . . . . 74.5 111.29 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.49 -27.05 63.91 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.647 1.179 . . . . 74.13 110.385 -172.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -74.27 -37.52 63.7 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.041 0.937 . . . . 44.21 110.38 173.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . 0.474 ' HA ' ' HE2' ' B' ' 82' ' ' LYS . 13.7 m-20 -69.31 -30.45 68.52 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.796 0.439 . . . . 72.44 110.671 174.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.412 ' HE1' ' HB3' ' B' ' 53' ' ' LYS . 78.4 t80 -61.82 -36.43 81.13 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.143 0.977 . . . . 62.45 110.451 176.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 58.2 m -65.78 -28.98 69.42 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.644 -0.707 . . . . 63.13 111.653 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' B' ' 79' ' ' ASP . 49.0 mtmt -90.5 89.21 7.47 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.1 0.56 . . . . 73.1 109.515 -178.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -128.1 -179.78 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.436 1.094 . . . . 71.52 109.069 173.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.73 152.63 45.29 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.444 0.698 . . . . 74.15 109.488 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -59.2 -53.81 62.54 Favored Pre-proline 0 CA--C 1.569 1.704 0 CA-C-O 118.257 -0.878 . . . . 63.22 112.799 -172.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.431 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 53.7 Cg_exo -56.76 -43.71 52.05 Favored 'Trans proline' 0 C--N 1.392 2.85 0 C-N-CA 122.163 1.909 . . . . 72.15 112.463 171.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 87.5 m -57.75 -33.46 68.5 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.434 1.093 . . . . 73.3 112.209 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 tt -65.74 -45.0 84.26 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.66 0.784 . . . . 71.54 109.25 178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.411 ' O ' ' HG ' ' B' ' 93' ' ' LEU . 35.0 m-85 -67.73 -31.14 70.85 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.879 -0.601 . . . . 75.54 111.324 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 33.2 mm-40 -66.54 -36.64 83.17 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.021 0.528 . . . . 74.3 111.107 176.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.664 HD23 HG23 ' B' ' 50' ' ' ILE . 97.6 mt -68.15 -35.34 77.93 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.626 0.77 . . . . 64.12 110.899 175.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.81 -46.22 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.452 0.701 . . . . 55.02 110.021 175.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 95.3 mt -63.43 -38.69 92.11 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.808 0.843 . . . . 72.35 110.911 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.72 -37.59 70.6 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.554 0.741 . . . . 51.02 111.077 178.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.521 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -69.28 -29.13 66.94 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.372 0.669 . . . . 51.22 111.65 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . 0.509 HD21 ' HA ' ' A' ' 105' ' ' ASP . 21.2 t30 -76.39 -50.24 14.69 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.57 0.748 . . . . 75.01 110.136 172.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -61.4 -35.82 78.59 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.329 1.052 . . . . 64.31 111.881 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.6 mt -99.92 -12.81 19.49 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.7 0.8 . . . . 73.14 111.223 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 38.2 t70 47.53 81.31 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 125.696 1.598 . . . . 64.23 112.222 -173.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.432 HG12 ' HA ' ' B' ' 24' ' ' SER . 37.5 mt -124.71 103.11 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 N-CA-C 107.445 -1.317 . . . . 74.33 107.445 175.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -56.79 -46.5 99.84 Favored Pre-proline 0 CA--C 1.562 1.406 0 C-N-CA 124.044 0.938 . . . . 74.05 113.472 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.55 -38.29 94.29 Favored 'Trans proline' 0 C--N 1.397 3.131 0 C-N-CA 122.049 1.833 . . . . 62.2 113.535 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' B' ' 95' ' ' ALA . 0.2 OUTLIER -70.75 -46.92 62.1 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.886 -0.783 . . . . 73.31 108.886 -179.145 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 38.8 tp -65.37 -47.69 75.51 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 114.594 -1.184 . . . . 64.04 111.086 -172.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.433 ' HA ' ' ND2' ' A' ' 96' ' ' ASN . 34.1 t70 -61.88 -51.76 66.86 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 124.065 0.853 . . . . 71.3 110.534 -175.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 37.5 t -60.61 -52.94 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 O-C-N 124.274 0.984 . . . . 53.1 112.421 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.491 HG21 ' HB2' ' B' ' 91' ' ' LEU . 31.2 m -68.59 -41.12 80.08 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 111.997 0.369 . . . . 64.53 111.997 -172.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.42 -29.97 66.72 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.961 0.504 . . . . 74.13 111.093 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -73.75 -32.87 64.05 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.599 0.759 . . . . 73.22 109.898 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 98.5 m -62.54 -49.42 75.39 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.711 0.804 . . . . 51.02 111.247 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 p -64.71 -33.18 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 O-C-N 122.997 0.186 . . . . 70.04 110.559 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.42 -28.78 67.37 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.599 0.76 . . . . 70.45 111.611 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -79.38 -31.73 42.92 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.644 0.778 . . . . 72.51 110.738 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 39.7 mtm -70.3 -42.63 71.77 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.051 0.54 . . . . 63.1 110.533 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.1 pt -72.75 -32.74 41.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 N-CA-C 109.679 -0.489 . . . . 64.55 109.679 175.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? 53.54 83.91 0.06 Allowed 'General case' 0 C--N 1.36 1.028 0 C-N-CA 125.08 1.352 . . . . 75.11 111.655 175.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 CA-C-N 115.606 -0.725 . . . . 44.33 113.379 179.28 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 m . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 110.276 -0.268 . . . . 75.1 110.276 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 50.2 mt -91.07 123.42 34.52 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.742 0.817 . . . . 75.31 110.388 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.5 m -91.11 130.71 39.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.723 0 N-CA-C 108.867 -0.79 . . . . 63.43 108.867 166.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.52 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 96.4 mttt -85.33 94.65 9.0 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.639 0.776 . . . . 73.14 109.793 -174.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.422 HD13 HD13 ' A' ' 27' ' ' ILE . 81.8 mt -93.17 92.49 7.79 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.681 -0.488 . . . . 63.21 109.681 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 43.2 tt0 -75.67 135.4 40.42 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.536 -0.756 . . . . 75.14 109.386 175.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.7 p -82.05 175.47 10.32 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 123.561 0.744 . . . . 74.21 110.765 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.0 p -63.98 -25.85 68.32 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.248 0.619 . . . . 73.34 110.532 170.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -83.57 8.67 13.45 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.203 1.001 . . . . 71.03 111.407 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 71.08 5.88 5.63 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.602 1.161 . . . . 71.1 113.72 172.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -92.15 123.49 35.54 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.511 -0.552 . . . . 71.15 109.511 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 46.4 t -87.63 124.02 40.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 123.676 0.791 . . . . 61.24 110.257 -175.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -110.14 101.54 10.32 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.002 0.921 . . . . 74.24 108.906 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.52 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 38.5 mt-10 -81.84 95.24 7.25 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.359 0.664 . . . . 70.24 109.462 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 tp -104.22 152.23 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.047 -1.094 . . . . 43.24 108.047 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.6 142.11 57.59 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.882 -0.414 . . . . 51.13 109.882 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.92 -40.89 97.52 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.461 0.704 . . . . 74.34 111.167 -174.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -56.04 -27.63 54.02 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.515 1.126 . . . . 53.02 112.486 176.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.4 mt -81.55 -45.86 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.012 0 C-N-CA 124.081 0.952 . . . . 64.21 109.611 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.04 -9.44 58.63 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.041 0.936 . . . . 74.44 112.564 -175.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 98.3 m -69.88 -29.64 66.9 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.68 0.792 . . . . 45.15 111.494 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 50.8 mtm -66.09 -26.24 67.39 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.105 0.562 . . . . 74.32 110.486 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.6 t -74.19 102.76 4.38 Favored 'General case' 0 C--N 1.346 0.432 0 N-CA-C 107.937 -1.134 . . . . 73.41 107.937 167.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 74.9 t -59.22 -44.39 91.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.504 0.722 . . . . 50.33 111.129 -176.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 85.1 m -60.44 -51.64 68.6 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.396 0.679 . . . . 55.43 111.834 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.422 HD13 HD13 ' A' ' 6' ' ' LEU . 86.6 mt -64.91 -43.35 96.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 123.106 0.562 . . . . 64.52 110.808 -178.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -58.29 -48.18 81.28 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.614 0.766 . . . . 71.45 110.181 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -64.44 -32.68 74.4 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.796 0.839 . . . . 75.41 111.435 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.9 mtt -67.06 -43.52 82.44 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.935 0.494 . . . . 70.15 110.7 176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.5 -44.37 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.48 0.712 . . . . 61.15 109.929 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -75.41 -25.0 57.22 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.807 0.843 . . . . 62.1 111.734 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -70.34 -40.49 74.07 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 123.738 0.815 . . . . 71.43 109.952 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.412 HG21 ' HB2' ' A' ' 37' ' ' SER . 59.8 mt -76.04 -26.49 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.19 -0.914 . . . . 74.1 109.789 172.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.52 -75.99 0.85 Allowed Glycine 0 C--N 1.346 1.125 0 N-CA-C 110.01 -1.236 . . . . 52.54 110.01 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -137.11 137.5 39.34 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.555 1.142 . . . . 60.22 108.347 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.412 ' HB2' HG21 ' A' ' 34' ' ' ILE . 40.0 t -149.58 107.28 3.67 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.326 0.65 . . . . 75.43 110.347 -176.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -83.58 -20.55 33.57 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.487 0.715 . . . . 63.12 110.27 175.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.5 p -65.17 139.79 97.72 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 123.385 0.674 . . . . 65.42 110.225 175.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -57.56 132.75 52.31 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.886 2.391 . . . . 51.42 112.298 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -87.45 107.23 14.09 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 108.107 -1.071 . . . . 75.21 108.107 176.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -90.0 122.28 1.03 Allowed 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 122.71 2.273 . . . . 73.34 112.021 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -98.95 101.16 11.43 Favored Pre-proline 0 CA--C 1.548 0.891 0 N-CA-C 108.58 -0.896 . . . . 71.5 108.58 175.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -83.77 50.63 3.22 Favored 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 123.107 2.538 . . . . 50.12 112.641 -175.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -148.39 -56.5 0.22 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.84 0.856 . . . . 72.0 109.419 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -80.93 121.12 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 CA-C-N 115.954 -0.567 . . . . 70.53 110.092 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.1 p -75.19 170.97 14.99 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.356 0.663 . . . . 73.42 110.574 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.8 p -65.79 -41.63 91.72 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.213 0.605 . . . . 74.12 111.45 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.1 m -58.34 -41.9 85.68 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.355 1.062 . . . . 62.53 111.16 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.631 HG23 HD23 ' A' ' 91' ' ' LEU . 44.5 mm -80.47 -46.14 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.572 -0.74 . . . . 71.21 110.556 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -62.34 -29.57 70.55 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 124.126 0.97 . . . . 71.44 111.075 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -51.92 -52.33 50.71 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.08 0.952 . . . . 73.33 110.191 171.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -77.75 -33.89 52.69 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.131 0.972 . . . . 71.44 112.574 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.545 HG11 HD12 ' A' ' 98' ' ' LEU . 54.9 t -59.83 -50.9 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 N-CA-C 109.668 -0.493 . . . . 62.23 109.668 178.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.81 -26.11 59.49 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.658 0.783 . . . . 73.22 111.818 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -60.34 -53.13 61.31 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.186 0.594 . . . . 70.43 110.607 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -68.11 -36.46 79.79 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 123.857 0.723 . . . . 63.53 110.491 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.608 ' SG ' HD13 ' A' ' 100' ' ' ILE . 90.7 m -60.43 -42.88 96.99 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.163 0.289 . . . . 65.02 110.83 177.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -65.44 -44.65 86.62 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 109.018 -0.734 . . . . 71.41 109.018 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -57.54 -37.57 73.29 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.604 1.162 . . . . 71.02 111.824 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -79.44 -20.93 46.25 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.662 0.785 . . . . 64.3 110.88 -176.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -81.99 -38.15 25.55 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 116.303 -0.408 . . . . 74.11 109.907 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -71.41 -37.86 71.48 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.513 0.725 . . . . 74.31 110.205 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -126.1 101.39 28.86 Favored Pre-proline 0 N--CA 1.469 0.479 0 C-N-CA 124.647 1.179 . . . . 74.33 107.844 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -49.62 -25.42 11.07 Favored 'Trans proline' 0 C--N 1.387 2.572 0 C-N-CA 124.156 3.238 . . . . 73.23 114.91 -174.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.01 -43.11 0.92 Allowed Glycine 0 C--N 1.342 0.868 0 N-CA-C 111.164 -0.774 . . . . 31.54 111.164 176.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.33 -78.19 0.7 Allowed Glycine 0 C--N 1.352 1.42 0 N-CA-C 110.998 -0.841 . . . . 72.54 110.998 -177.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.6 m 61.41 26.89 16.59 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.84 1.256 . . . . 53.12 112.162 170.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.8 -61.75 5.32 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-N 115.983 -0.553 . . . . 74.31 112.102 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.4 tp -170.53 -55.28 0.02 OUTLIER 'General case' 0 C--N 1.351 0.642 0 C-N-CA 123.923 0.889 . . . . 71.21 110.111 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -94.75 31.43 1.82 Allowed 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.077 0.951 . . . . 63.11 110.443 -171.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.74 59.6 4.23 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.728 0.811 . . . . 62.24 110.526 -173.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.5 mp -117.86 83.35 18.38 Favored Pre-proline 0 CA--C 1.552 1.054 0 N-CA-C 107.17 -1.418 . . . . 70.23 107.17 170.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.92 143.54 45.51 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.107 1.872 . . . . 73.24 111.82 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -53.57 -26.72 38.07 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 123.209 2.606 . . . . 62.12 113.06 173.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -58.43 -52.51 65.33 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.426 1.09 . . . . 62.23 110.269 175.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.47 -28.35 63.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.045 0.938 . . . . 74.14 111.116 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -66.1 -39.38 89.94 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.546 0.738 . . . . 75.4 110.544 174.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.93 -29.26 60.91 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.494 0.718 . . . . 71.23 110.96 174.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -64.88 -39.86 94.21 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.866 0.866 . . . . 64.41 110.433 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.0 m -73.54 -6.25 45.29 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.983 0.913 . . . . 72.5 112.642 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -80.07 77.01 6.79 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.236 0.541 . . . . 74.21 109.984 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.4 m -137.37 175.44 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.933 0.893 . . . . 73.33 109.769 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -75.47 163.48 27.35 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.103 0.561 . . . . 72.13 111.112 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.424 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 56.7 tp60 -62.01 -48.4 88.66 Favored Pre-proline 0 CA--C 1.562 1.425 0 CA-C-O 118.252 -0.88 . . . . 63.51 111.418 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.437 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 31.4 Cg_exo -60.9 -40.82 49.94 Favored 'Trans proline' 0 C--N 1.401 3.332 0 C-N-CA 121.973 1.782 . . . . 43.55 111.928 173.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 26.6 m -60.47 -36.02 77.29 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.12 0.968 . . . . 75.02 111.549 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 mt -55.44 -46.3 76.74 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.422 0.689 . . . . 64.24 110.539 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' B' ' 89' ' ' PHE . 66.7 m-85 -70.8 -34.25 71.55 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.851 -0.613 . . . . 73.45 111.416 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 10.1 mm-40 -64.66 -33.96 77.16 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.011 0.524 . . . . 75.22 110.635 177.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.631 HD23 HG23 ' A' ' 50' ' ' ILE . 96.1 mt -69.16 -38.98 79.04 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.299 0.64 . . . . 74.42 110.512 175.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.46 -43.03 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 C-N-CA 123.727 0.811 . . . . 53.0 110.526 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 91.8 mt -68.27 -40.01 82.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.487 0.715 . . . . 74.52 110.618 -177.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.06 -32.32 66.95 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.401 0.68 . . . . 74.25 111.401 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.473 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.34 -34.7 68.24 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.281 0.632 . . . . 64.05 111.022 178.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -73.98 -37.4 64.46 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.678 0.791 . . . . 54.21 110.024 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -66.39 -40.4 89.63 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.884 0.874 . . . . 64.22 111.009 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.545 HD12 HG11 ' A' ' 54' ' ' VAL . 86.4 mt -95.91 -3.58 45.04 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.274 0.63 . . . . 74.13 111.632 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.54 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 2.9 t70 60.42 30.14 19.56 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.315 1.446 . . . . 72.33 111.825 175.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.608 HD13 ' SG ' ' A' ' 58' ' ' CYS . 46.1 mt -81.79 91.51 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 N-CA-C 108.708 -0.849 . . . . 75.05 108.708 176.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -59.87 -42.62 91.77 Favored Pre-proline 0 CA--C 1.56 1.349 0 CA-C-N 114.517 -1.22 . . . . 73.13 112.436 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.7 -53.18 6.92 Favored 'Trans proline' 0 C--N 1.403 3.432 0 C-N-CA 122.633 2.222 . . . . 72.11 113.35 173.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.4 tm? -68.18 -39.21 82.59 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.042 0.537 . . . . 60.12 110.33 -176.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.594 HD21 HD21 ' B' ' 104' ' ' LEU . 59.9 tp -58.54 -47.49 84.02 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.79 0.836 . . . . 73.23 110.412 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -67.1 -50.85 60.16 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.089 0.868 . . . . 72.22 110.71 -176.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.1 -47.79 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.526 0.73 . . . . 73.12 111.452 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.427 HG21 ' HB2' ' A' ' 91' ' ' LEU . 35.8 m -68.94 -42.35 76.86 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.712 0.405 . . . . 62.41 111.319 -177.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.1 m -65.71 -33.61 76.27 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.665 0.386 . . . . 73.14 111.11 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.42 -37.23 71.49 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.571 0.748 . . . . 75.55 110.017 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -61.83 -45.87 91.93 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.775 0.83 . . . . 74.54 111.015 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 107' ' ' THR . 42.1 t -65.77 -37.53 80.13 Favored 'Isoleucine or valine' 0 C--O 1.245 0.863 0 CA-C-N 115.914 -0.585 . . . . 74.52 109.914 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.22 -35.37 80.26 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.349 -0.842 . . . . 75.32 110.969 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.38 -33.16 75.22 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.73 0.812 . . . . 63.55 111.27 -178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 35.8 mtm -66.84 -38.01 85.57 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.737 -0.665 . . . . 64.13 110.965 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.4 pt -92.92 -8.74 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.856 0.463 . . . . 70.43 111.422 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.01 91.77 1.6 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.243 0.617 . . . . 74.44 110.794 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.186 0 CA-C-N 115.095 -0.957 . . . . 55.11 111.403 170.534 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 110.373 -0.232 . . . . 74.55 110.373 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.0 mt -90.74 122.55 33.59 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.743 0.817 . . . . 70.22 110.514 179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 m -90.49 131.1 38.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.641 0 N-CA-C 108.7 -0.852 . . . . 73.24 108.7 167.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.49 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 96.5 mttt -85.82 94.69 9.21 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.569 0.748 . . . . 72.31 109.976 -174.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.415 HD13 HD13 ' B' ' 27' ' ' ILE . 81.4 mt -93.37 92.72 7.8 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 109.685 -0.487 . . . . 61.3 109.685 -179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.491 ' HA ' ' HA ' ' B' ' 13' ' ' VAL . 43.1 tt0 -75.97 135.8 40.03 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.669 -0.696 . . . . 74.42 109.702 175.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 63.1 p -83.17 175.64 9.8 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.574 0.75 . . . . 74.32 110.561 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 55.9 p -65.21 -23.39 67.07 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.267 0.627 . . . . 74.31 110.777 171.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -85.62 8.25 20.22 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.305 1.042 . . . . 64.34 111.171 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 71.01 7.33 6.18 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 125.061 1.344 . . . . 73.21 113.742 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -92.67 123.46 35.97 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 109.12 -0.696 . . . . 62.44 109.12 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' B' ' 7' ' ' GLU . 47.6 t -87.84 123.34 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.009 0.924 . . . . 51.23 110.229 -175.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -109.2 102.43 11.37 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.013 0.925 . . . . 74.13 108.76 175.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.49 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 37.6 mt-10 -81.79 94.94 7.14 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.3 0.64 . . . . 70.23 109.955 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 tp -104.5 152.17 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.061 -1.089 . . . . 52.51 108.061 178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.11 143.19 57.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.995 -0.372 . . . . 71.42 109.995 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.37 -40.95 96.84 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.71 0.804 . . . . 73.12 110.841 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.46 -27.65 57.5 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.478 1.111 . . . . 73.44 112.115 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -81.69 -45.63 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.906 0.882 . . . . 75.03 109.722 175.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.26 -9.36 58.53 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.13 0.972 . . . . 74.02 112.617 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 95.4 m -71.16 -27.03 63.26 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.545 0.738 . . . . 74.32 111.545 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 50.2 mtm -66.71 -29.31 69.27 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.075 0.55 . . . . 71.42 110.19 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -71.41 103.02 2.78 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.121 -1.066 . . . . 70.44 108.121 167.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 88.3 t -59.89 -43.78 92.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 123.361 0.664 . . . . 75.41 111.099 -175.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.8 m -60.87 -51.37 69.57 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.337 0.655 . . . . 74.43 111.766 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.415 HD13 HD13 ' B' ' 6' ' ' LEU . 85.8 mt -64.83 -43.77 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 123.189 0.596 . . . . 63.0 110.848 -178.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -57.98 -48.33 80.31 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.017 0.823 . . . . 74.55 110.364 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -64.45 -32.21 73.74 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.812 0.845 . . . . 75.12 111.4 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 60.3 mtt -67.57 -43.3 80.96 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.985 0.514 . . . . 73.43 110.533 176.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.51 -45.54 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 123.473 0.709 . . . . 72.05 109.786 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -73.48 -26.33 60.86 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.025 0.93 . . . . 62.21 111.726 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.08 -41.54 77.38 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.49 0.716 . . . . 65.03 110.092 176.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.402 HG21 ' HB2' ' B' ' 37' ' ' SER . 61.7 mt -75.48 -26.15 18.21 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 CA-C-N 115.189 -0.914 . . . . 72.34 109.872 173.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.87 -77.07 0.9 Allowed Glycine 0 C--N 1.348 1.23 0 N-CA-C 109.865 -1.294 . . . . 65.35 109.865 -173.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -137.12 136.14 38.03 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.233 1.013 . . . . 72.45 108.598 174.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.402 ' HB2' HG21 ' B' ' 34' ' ' ILE . 31.5 t -147.79 109.24 4.35 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.253 0.621 . . . . 62.54 109.804 -176.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -84.81 -20.91 30.21 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.569 0.748 . . . . 74.31 110.396 174.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.3 p -63.9 140.37 97.83 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.51 0.724 . . . . 63.32 110.455 175.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -58.27 131.67 44.4 Favored 'Trans proline' 0 C--N 1.381 2.247 0 C-N-CA 122.709 2.273 . . . . 53.34 112.236 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -86.53 107.38 13.47 Favored Pre-proline 0 CA--C 1.554 1.102 0 N-CA-C 108.222 -1.029 . . . . 75.24 108.222 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -90.21 122.44 0.98 Allowed 'Trans proline' 0 C--N 1.376 2.0 0 C-N-CA 122.568 2.179 . . . . 71.44 111.827 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -98.76 101.64 12.62 Favored Pre-proline 0 CA--C 1.55 0.953 0 C-N-CA 123.953 0.901 . . . . 62.4 108.611 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -84.58 51.26 3.19 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 123.14 2.56 . . . . 64.54 112.33 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -149.0 -56.47 0.2 Allowed 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.728 0.811 . . . . 72.4 109.445 -177.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -81.14 121.24 34.3 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.051 0 CA-C-N 116.1 -0.5 . . . . 71.12 110.242 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 80.4 p -74.62 170.63 15.4 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.768 0.827 . . . . 64.2 110.628 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 84.7 p -67.09 -40.65 86.99 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.993 0.517 . . . . 74.41 111.296 -176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 61.9 m -58.73 -41.48 86.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.142 0.977 . . . . 71.42 111.08 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.611 HG23 HD23 ' B' ' 91' ' ' LEU . 44.5 mm -80.66 -45.81 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 115.784 -0.643 . . . . 72.24 110.421 -176.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 tp -62.41 -29.29 70.39 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.005 0.922 . . . . 73.11 111.226 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -52.1 -52.49 51.1 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.155 0.982 . . . . 72.04 110.147 171.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -77.56 -34.04 53.84 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.029 0.932 . . . . 72.03 112.567 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.568 HG11 HD12 ' B' ' 98' ' ' LEU . 54.1 t -59.6 -50.73 78.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 N-CA-C 109.734 -0.469 . . . . 63.23 109.734 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 86.9 mt -75.0 -26.43 59.54 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.667 0.787 . . . . 74.43 111.784 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.79 -51.67 67.34 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.239 0.615 . . . . 74.35 110.491 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -67.69 -37.33 82.17 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 116.051 -0.522 . . . . 73.31 110.564 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.61 ' SG ' HD13 ' B' ' 100' ' ' ILE . 90.4 m -60.29 -42.82 96.27 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 123.072 0.232 . . . . 63.11 110.792 178.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -64.76 -45.2 87.38 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.045 -0.724 . . . . 72.43 109.045 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -57.83 -37.37 73.7 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.53 1.132 . . . . 64.13 111.71 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -79.36 -20.9 46.61 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.737 0.815 . . . . 74.12 110.854 -175.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -81.65 -38.79 25.37 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 109.817 -0.438 . . . . 64.44 109.817 174.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -71.39 -38.05 71.53 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.665 0.786 . . . . 60.52 110.015 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -125.42 101.34 31.05 Favored Pre-proline 0 N--CA 1.471 0.609 0 C-N-CA 124.914 1.286 . . . . 75.02 107.9 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -49.91 -25.53 12.35 Favored 'Trans proline' 0 C--N 1.387 2.569 0 C-N-CA 124.171 3.247 . . . . 74.13 114.808 -175.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.5 -43.61 0.87 Allowed Glycine 0 C--N 1.339 0.696 0 N-CA-C 111.163 -0.775 . . . . 61.23 111.163 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.01 -77.55 0.82 Allowed Glycine 0 C--N 1.351 1.37 0 N-CA-C 110.991 -0.844 . . . . 62.55 110.991 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.2 m 60.63 27.53 17.24 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.926 1.29 . . . . 63.3 112.531 170.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -65.6 -63.33 4.14 Favored Glycine 0 C--N 1.346 1.119 0 CA-C-N 115.757 -0.656 . . . . 74.3 112.308 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 66.6 tp -169.41 -55.56 0.02 OUTLIER 'General case' 0 C--N 1.351 0.631 0 C-N-CA 123.647 0.779 . . . . 61.34 109.886 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -95.13 35.63 1.27 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.249 1.02 . . . . 73.31 110.119 -172.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -92.99 57.89 2.86 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.565 0.746 . . . . 71.24 110.94 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 3.5 mp -116.87 83.24 14.17 Favored Pre-proline 0 CA--C 1.551 0.991 0 N-CA-C 107.226 -1.398 . . . . 73.14 107.226 170.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -70.43 143.07 46.57 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.057 1.838 . . . . 72.12 111.728 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.01 -26.82 33.45 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 123.219 2.613 . . . . 73.43 112.879 172.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -58.53 -52.32 66.14 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.432 1.093 . . . . 65.03 110.5 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.45 -28.27 63.84 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.971 0.908 . . . . 71.45 111.343 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -65.83 -40.22 91.57 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.624 0.77 . . . . 75.31 110.634 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.04 -30.66 62.53 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.483 0.713 . . . . 74.1 110.808 174.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.96 -39.71 95.49 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.485 0.714 . . . . 74.44 110.493 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 71.9 m -73.86 -6.73 48.95 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.117 -0.947 . . . . 71.22 112.377 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -79.75 76.3 6.42 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.022 0.529 . . . . 75.4 110.093 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 30.3 m -137.08 173.64 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.967 0.907 . . . . 71.44 109.787 176.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -73.23 164.44 26.68 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.203 0.601 . . . . 71.11 110.89 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.419 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 54.1 tp60 -63.01 -48.35 84.72 Favored Pre-proline 0 CA--C 1.557 1.232 0 CA-C-O 118.229 -0.891 . . . . 72.31 111.571 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 32.3 Cg_exo -60.17 -40.99 55.2 Favored 'Trans proline' 0 C--N 1.403 3.399 0 C-N-CA 122.061 1.84 . . . . 72.03 111.988 173.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 24.7 m -61.09 -35.84 78.05 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.368 1.067 . . . . 71.44 111.549 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 37.4 mt -55.73 -46.39 77.8 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.358 0.663 . . . . 62.14 110.568 173.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.462 ' HE2' ' HE2' ' A' ' 89' ' ' PHE . 66.6 m-85 -70.58 -34.44 72.18 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.693 0.621 . . . . 70.32 111.376 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 17.2 mm-40 -64.07 -34.54 78.26 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.139 0.576 . . . . 72.52 110.803 177.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.611 HD23 HG23 ' B' ' 50' ' ' ILE . 96.1 mt -68.99 -38.82 79.53 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.404 0.681 . . . . 74.44 110.421 175.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 86.1 mt -65.62 -42.92 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 123.666 0.786 . . . . 63.21 110.524 177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' B' ' 89' ' ' PHE . 90.5 mt -68.28 -40.24 81.87 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.487 0.715 . . . . 74.23 110.637 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.79 -32.29 67.48 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.54 0.736 . . . . 43.0 111.381 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.482 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -72.55 -34.08 67.27 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.339 0.656 . . . . 73.44 111.083 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -73.96 -38.95 64.05 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.657 0.783 . . . . 74.23 110.122 175.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -65.07 -40.91 95.35 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.106 0.962 . . . . 73.41 111.059 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.568 HD12 HG11 ' B' ' 54' ' ' VAL . 86.0 mt -95.58 -4.61 44.31 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.51 0.724 . . . . 74.35 111.623 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.54 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 1.8 t70 62.06 29.26 17.6 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 125.28 1.432 . . . . 44.43 111.734 174.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.61 HD13 ' SG ' ' B' ' 58' ' ' CYS . 45.5 mt -81.51 92.32 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 108.801 -0.814 . . . . 73.53 108.801 176.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -60.54 -42.53 88.85 Favored Pre-proline 0 CA--C 1.56 1.342 0 CA-C-N 114.654 -1.157 . . . . 64.1 112.477 -177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.06 -52.63 7.92 Favored 'Trans proline' 0 C--N 1.403 3.415 0 C-N-CA 122.605 2.204 . . . . 75.53 113.353 173.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.4 tm? -68.37 -39.67 81.69 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 122.965 0.506 . . . . 53.22 110.301 -176.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.594 HD21 HD21 ' A' ' 104' ' ' LEU . 59.3 tp -58.06 -47.51 82.94 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.834 0.853 . . . . 73.04 110.527 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -67.2 -50.82 59.46 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 124.103 0.877 . . . . 71.13 110.73 -176.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.13 -48.05 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.539 0.736 . . . . 70.2 111.394 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.425 HG21 ' HB2' ' B' ' 91' ' ' LEU . 36.1 m -68.59 -42.57 78.02 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 122.723 0.409 . . . . 73.01 111.361 -176.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 94.2 m -65.32 -34.15 77.66 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 122.742 0.417 . . . . 74.44 111.089 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -71.1 -36.47 72.2 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.616 0.767 . . . . 62.53 110.234 175.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 99.8 m -62.59 -46.0 90.34 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.698 0.799 . . . . 60.51 110.896 178.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 107' ' ' THR . 42.7 t -65.56 -36.98 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 123.142 0.577 . . . . 71.21 110.055 177.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.84 81.2 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 115.289 -0.869 . . . . 64.03 110.924 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -64.55 -32.45 74.11 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 123.554 0.742 . . . . 72.42 111.185 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 34.9 mtm -67.49 -38.35 84.22 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.944 -0.571 . . . . 74.43 110.782 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.2 pt -91.42 -10.24 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 122.81 0.444 . . . . 61.21 111.468 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.86 93.24 1.31 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.092 0.557 . . . . 73.32 110.847 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.378 0 CA-C-N 114.848 -1.069 . . . . 71.03 111.879 170.572 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.05 0.452 . . . . 75.42 110.338 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.2 mt -102.49 119.26 38.53 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.021 0.928 . . . . 61.43 110.342 -174.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.6 m -70.32 111.37 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 108.458 -0.941 . . . . 75.4 108.458 168.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.538 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 93.4 mttt -81.75 81.57 7.74 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.964 -1.016 . . . . 70.42 109.481 -174.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.416 HD23 ' HB ' ' A' ' 41' ' ' ILE . 85.8 mt -79.06 84.84 5.02 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 114.618 -1.173 . . . . 73.21 110.205 -176.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 13' ' ' VAL . 42.8 tt0 -75.27 118.93 18.72 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.126 -0.943 . . . . 63.53 108.978 177.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 p -67.45 175.52 2.76 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.724 0.81 . . . . 41.43 111.748 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 p -65.41 -25.1 67.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.416 0.686 . . . . 64.03 110.738 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.05 0.37 32.14 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.246 1.018 . . . . 72.32 111.187 175.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 73.39 10.7 4.99 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.133 1.373 . . . . 73.34 113.164 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -84.54 123.21 30.04 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 109.474 -0.565 . . . . 72.54 109.474 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 40.6 t -88.2 109.08 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 123.784 0.834 . . . . 74.23 110.375 -172.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -92.23 90.89 7.48 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.584 0.754 . . . . 75.53 109.521 177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 35.5 mt-10 -77.58 86.13 3.92 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 114.924 -1.034 . . . . 64.42 109.106 177.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.446 HD11 HG21 ' A' ' 20' ' ' ILE . 17.7 tt -110.74 152.6 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 115.066 -0.97 . . . . 73.4 108.854 -177.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HB2' HG13 ' A' ' 20' ' ' ILE . 38.2 mt-10 -61.7 137.39 58.24 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.944 0.498 . . . . 63.41 110.36 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -65.69 -31.35 72.31 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.399 0.437 . . . . 64.33 110.868 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.85 -23.98 67.57 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.563 0.745 . . . . 61.53 112.152 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.539 HG13 ' HB2' ' A' ' 17' ' ' GLU . 46.2 mt -80.16 -44.05 22.38 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 121.41 0.624 . . . . 74.41 109.39 172.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.62 8.31 4.55 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.243 1.017 . . . . 53.54 112.625 -178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 78.0 m -75.26 -28.03 59.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.183 0.593 . . . . 74.1 110.978 168.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.47 -25.3 65.82 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.037 0.535 . . . . 74.01 110.224 173.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.0 m -73.39 101.8 3.57 Favored 'General case' 0 C--O 1.244 0.815 0 CA-C-N 115.345 -0.843 . . . . 63.12 108.828 163.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.455 HG13 ' HE3' ' A' ' 28' ' ' LYS . 97.6 t -67.12 -34.86 72.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 116.011 -0.54 . . . . 73.35 110.241 176.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.1 m -64.02 -48.22 77.2 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.646 0.378 . . . . 75.22 110.679 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.81 -48.36 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 123.576 0.547 . . . . 74.41 110.54 -177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.556 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 17.2 pttp -60.12 -43.51 95.58 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 123.626 0.579 . . . . 61.35 109.667 -178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -58.86 -44.77 91.09 Favored 'General case' 0 C--N 1.37 1.475 0 C-N-CA 123.627 0.771 . . . . 72.4 111.061 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 71.5 mtm -60.55 -43.01 97.72 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 124.123 0.889 . . . . 74.41 110.573 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.5 mt -66.44 -32.88 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 123.634 0.774 . . . . 64.23 110.653 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 47.0 mt-10 -76.26 -33.93 59.16 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.327 0.651 . . . . 72.45 111.202 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -71.52 -44.18 65.1 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 121.188 0.518 . . . . 73.15 110.241 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.9 mt -71.58 -30.33 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 CA-C-N 115.035 -0.984 . . . . 70.23 109.823 176.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.51 -60.09 1.84 Allowed Glycine 0 C--N 1.343 0.924 0 N-CA-C 110.901 -0.88 . . . . 75.43 110.901 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -136.29 98.09 3.76 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.158 0.983 . . . . 73.11 109.458 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.601 ' HB3' HD11 ' A' ' 41' ' ' ILE . 44.0 m -95.45 68.59 2.99 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.61 0.764 . . . . 74.11 110.043 177.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -73.11 -28.2 62.13 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 115.503 -0.771 . . . . 72.13 110.458 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.7 m -65.38 150.48 95.74 Favored Pre-proline 0 CA--C 1.559 1.325 0 C-N-CA 124.189 0.996 . . . . 45.41 111.714 176.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.26 130.3 35.42 Favored 'Trans proline' 0 C--N 1.383 2.382 0 C-N-CA 122.882 2.388 . . . . 63.11 111.369 175.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.601 HD11 ' HB3' ' A' ' 37' ' ' SER . 50.7 mm -91.4 107.94 25.33 Favored Pre-proline 0 CA--C 1.547 0.84 0 C-N-CA 123.412 0.685 . . . . 61.03 109.69 -177.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.46 142.54 21.02 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 121.831 1.688 . . . . 64.42 110.98 173.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -123.59 84.71 53.14 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 106.88 -1.526 . . . . 43.1 106.88 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -83.48 52.34 3.83 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 123.55 2.833 . . . . 75.21 112.595 -170.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -149.5 -58.32 0.2 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.482 1.113 . . . . 61.03 108.549 -177.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -84.15 129.02 38.31 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 115.397 -0.82 . . . . 64.11 110.695 -176.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.8 p -77.37 171.08 15.44 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.296 1.038 . . . . 72.32 110.789 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.2 p -69.59 -41.94 75.11 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.565 0.346 . . . . 70.24 111.852 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.6 m -57.57 -43.79 84.83 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.045 0.938 . . . . 62.31 111.011 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.501 HG23 HD23 ' A' ' 91' ' ' LEU . 48.1 mm -79.91 -44.99 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 CA-C-N 115.151 -0.931 . . . . 71.23 110.453 -174.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.4 -30.08 70.86 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.313 0.645 . . . . 73.24 110.774 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.33 -48.96 79.49 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.405 0.682 . . . . 72.11 109.621 175.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.611 ' HD2' HD21 ' A' ' 91' ' ' LEU . 58.5 mttm -61.71 -51.94 66.31 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.107 0.879 . . . . 62.42 111.163 -178.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 50' ' ' ILE . 48.3 t -61.2 -45.48 98.51 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 CA-C-N 115.516 -0.766 . . . . 73.42 110.544 -173.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' HB3' HD12 ' A' ' 16' ' ' ILE . 73.5 mt -74.06 -29.11 61.73 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.294 0.638 . . . . 72.14 112.413 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -72.59 -36.8 68.23 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.694 0.398 . . . . 73.04 110.206 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -71.36 -36.55 71.52 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.027 -0.533 . . . . 75.42 110.038 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.654 ' SG ' HD13 ' A' ' 100' ' ' ILE . 98.8 m -61.39 -40.48 94.51 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.493 0.496 . . . . 54.1 110.615 174.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 48.5 ttp180 -61.6 -46.96 87.64 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.626 -0.715 . . . . 74.0 110.022 176.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -59.17 -43.48 92.12 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.158 0.983 . . . . 73.23 111.885 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -74.62 -21.01 59.68 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.886 0.874 . . . . 74.32 110.878 -178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.41 ' CG ' HG12 ' A' ' 20' ' ' ILE . 75.6 t60 -80.61 -36.03 33.29 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 110.053 -0.351 . . . . 71.42 110.053 174.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 65.5 mt-30 -70.93 -34.43 71.49 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.802 0.841 . . . . 73.03 110.301 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -137.74 85.69 19.8 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.207 1.003 . . . . 75.23 109.415 177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.08 -77.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.546 2.164 . . . . 73.03 111.101 173.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.91 -128.57 21.54 Favored Glycine 0 C--N 1.359 1.828 0 C-N-CA 123.976 0.798 . . . . 55.4 113.84 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.26 -0.62 56.99 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.714 -0.555 . . . . 74.13 111.714 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.8 m 68.06 -151.38 0.16 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 124.999 1.32 . . . . 73.04 110.451 -176.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -62.04 -29.78 73.67 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-O 119.537 -0.59 . . . . 64.33 113.778 -176.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.9 mt 58.17 -86.2 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 125.131 1.372 . . . . 64.2 111.387 -178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -141.96 -16.64 0.77 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.024 1.33 . . . . 70.44 109.866 175.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.85 -56.59 19.83 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.813 1.245 . . . . 71.41 110.466 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.8 mm 60.07 96.63 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 125.017 1.327 . . . . 72.12 110.562 -176.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -58.53 153.76 46.39 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.815 2.343 . . . . 55.4 112.602 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -51.8 -48.36 21.84 Favored 'Trans proline' 0 C--N 1.38 2.208 0 C-N-CA 123.999 3.133 . . . . 71.53 113.104 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -54.14 -50.95 65.79 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.766 0.666 . . . . 74.53 111.247 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.67 -32.97 74.13 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.07 0.856 . . . . 72.11 111.431 -173.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 82' ' ' LYS . 52.7 ttp180 -74.78 -55.09 6.21 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 116.321 -0.4 . . . . 71.14 110.177 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.3 -33.07 67.3 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 123.999 0.919 . . . . 71.34 111.622 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -61.29 -51.67 67.91 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.494 1.117 . . . . 75.1 110.292 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 81.8 m -76.58 -13.55 60.07 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 115.433 -0.803 . . . . 44.24 111.663 -175.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 78' ' ' ARG . 31.8 mmmt -75.17 84.69 2.38 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 109.106 -0.702 . . . . 65.04 109.106 172.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -125.37 171.13 14.55 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 C-N-CA 124.64 1.176 . . . . 73.53 109.386 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.83 167.03 21.78 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 123.37 0.668 . . . . 74.1 110.384 -174.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.423 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 55.7 tp60 -59.56 -51.28 82.28 Favored Pre-proline 0 CA--C 1.567 1.623 0 N-CA-C 113.391 0.886 . . . . 73.25 113.391 -169.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.423 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 23.9 Cg_exo -65.29 -32.98 50.07 Favored 'Trans proline' 0 C--N 1.391 2.808 0 C-N-CA 121.998 1.799 . . . . 65.5 112.075 174.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.6 m -66.04 -32.43 73.89 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.954 0.902 . . . . 71.33 111.213 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 85' ' ' GLN . 79.2 mt -56.33 -49.67 73.65 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.963 0.905 . . . . 72.03 109.729 172.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -69.48 -34.33 74.18 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.091 -0.958 . . . . 74.45 111.443 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -61.32 -40.75 95.37 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.081 0.553 . . . . 65.11 111.202 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.611 HD21 ' HD2' ' A' ' 53' ' ' LYS . 83.7 mt -73.47 -32.89 64.57 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.58 0.752 . . . . 73.42 111.437 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.95 -43.94 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 123.373 0.669 . . . . 61.24 109.794 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.4 -40.2 77.49 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.746 0.818 . . . . 65.12 110.901 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.86 76.51 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.863 0.865 . . . . 33.13 111.719 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.558 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -68.36 -40.38 81.48 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.381 -0.827 . . . . 75.31 111.008 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -70.37 -32.72 70.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.225 0.61 . . . . 72.33 110.385 176.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -62.45 -44.0 97.47 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.253 1.021 . . . . 74.35 111.178 179.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.7 mt -98.61 -4.73 33.31 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.944 0.497 . . . . 63.0 111.887 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.9 t0 51.58 50.17 19.36 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.185 1.394 . . . . 70.44 111.593 -173.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.654 HD13 ' SG ' ' A' ' 58' ' ' CYS . 58.6 mt -88.05 91.7 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 CA-C-N 114.595 -1.184 . . . . 62.14 108.215 171.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 102' ' ' PRO . 53.4 mttm -62.5 -43.04 83.17 Favored Pre-proline 0 CA--C 1.557 1.249 0 CA-C-N 114.35 -1.296 . . . . 74.33 112.997 -177.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 9.6 Cg_endo -52.49 -41.37 68.16 Favored 'Trans proline' 0 C--N 1.4 3.282 0 C-N-CA 122.363 2.042 . . . . 53.12 113.469 174.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.558 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.6 tm? -81.06 -42.0 21.72 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.674 0.39 . . . . 73.24 110.106 -178.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.656 HD21 HD21 ' B' ' 104' ' ' LEU . 48.7 tp -58.5 -48.62 80.21 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.813 0.845 . . . . 74.31 110.888 -176.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -60.52 -51.7 68.34 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.316 1.01 . . . . 71.03 110.407 -178.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.98 -40.82 90.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 115.674 -0.694 . . . . 74.22 111.865 -176.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 28.4 m -70.3 -36.2 74.18 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-O 120.918 0.39 . . . . 65.11 110.976 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 71.3 m -69.62 -29.25 66.71 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.181 0.592 . . . . 73.35 110.697 174.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.64 -31.5 59.85 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.249 0.62 . . . . 72.01 110.597 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.5 m -65.67 -45.75 81.72 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.473 0.709 . . . . 65.52 110.936 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -68.7 -32.15 53.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 116.216 -0.447 . . . . 52.42 110.322 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.63 -25.21 62.92 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.294 0.638 . . . . 50.54 111.592 173.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HA ' ' HB2' ' A' ' 116' ' ' ARG . 14.3 m-80 -67.73 -26.6 66.22 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.799 0.44 . . . . 74.15 111.025 176.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 69.3 mtm -72.6 -29.05 63.17 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.845 0.458 . . . . 75.15 111.108 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 37.5 pt -101.88 -1.92 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.507 0.723 . . . . 63.33 111.62 176.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.48 ' HB2' ' HA ' ' A' ' 113' ' ' ASN . 32.2 tpt180 -59.41 99.86 0.07 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.191 0.997 . . . . 52.31 111.212 -176.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.144 0 CA-C-O 118.814 -0.992 . . . . 53.41 112.145 176.058 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.026 0.441 . . . . 71.44 110.477 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 39.4 mt -99.1 119.08 37.25 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.27 -0.877 . . . . 74.4 110.354 -174.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.5 m -70.01 110.99 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 108.485 -0.932 . . . . 73.25 108.485 168.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.547 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 92.6 mttt -81.38 81.84 7.4 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.876 -1.056 . . . . 74.45 109.3 -174.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 89.0 mt -79.42 84.99 5.25 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 114.728 -1.123 . . . . 64.23 110.19 -176.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.472 ' HA ' ' HA ' ' B' ' 13' ' ' VAL . 39.9 tt0 -75.55 119.15 19.21 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.245 -0.889 . . . . 50.13 108.97 178.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.9 p -67.8 174.4 3.67 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.845 0.858 . . . . 61.33 111.597 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 61.8 p -64.52 -25.67 68.09 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.537 0.735 . . . . 63.25 110.794 172.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.73 -1.3 33.9 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.363 1.065 . . . . 75.22 111.478 175.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 74.7 11.92 3.78 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.293 1.437 . . . . 74.43 113.142 173.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -85.75 123.7 31.42 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.488 -0.56 . . . . 65.25 109.488 172.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.472 ' HA ' ' HA ' ' B' ' 7' ' ' GLU . 40.1 t -88.36 109.34 19.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.047 0.939 . . . . 60.21 110.193 -172.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -92.49 91.61 7.69 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.385 0.674 . . . . 74.43 109.443 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.547 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 36.1 mt-10 -78.56 84.98 4.65 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.177 -0.92 . . . . 73.42 109.541 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.455 HD11 HG21 ' B' ' 20' ' ' ILE . 17.6 tt -109.91 152.19 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.072 0.949 . . . . 73.45 108.924 -176.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.518 ' HB2' HG13 ' B' ' 20' ' ' ILE . 40.5 mt-10 -61.61 136.81 58.15 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.901 0.48 . . . . 63.43 110.289 -178.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -65.19 -30.87 71.81 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 123.468 0.48 . . . . 70.43 110.826 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.93 -22.99 67.17 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.387 0.675 . . . . 62.12 112.246 176.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.518 HG13 ' HB2' ' B' ' 17' ' ' GLU . 46.8 mt -80.53 -43.71 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.376 0.67 . . . . 73.35 109.526 171.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.03 8.22 5.06 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.235 1.014 . . . . 60.54 112.438 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 71.2 m -74.82 -29.79 61.18 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.073 0.549 . . . . 74.22 110.808 168.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 71.0 mtm -65.8 -25.7 67.36 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 122.994 0.517 . . . . 74.25 110.407 173.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 72.4 m -72.99 101.68 3.29 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 108.855 -0.794 . . . . 74.05 108.855 163.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.463 HG13 ' HE3' ' B' ' 28' ' ' LYS . 91.7 t -67.44 -33.95 65.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 116.064 -0.516 . . . . 72.4 110.074 176.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 87.0 m -64.39 -48.5 75.21 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.612 0.365 . . . . 51.2 110.606 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 73.6 mt -62.97 -48.28 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.048 0.539 . . . . 74.12 110.472 -177.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' B' ' 32' ' ' GLU . 16.7 pttp -59.97 -43.58 95.01 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 123.587 0.554 . . . . 73.32 109.844 -179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.49 -44.53 93.04 Favored 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 123.577 0.751 . . . . 72.32 110.944 -177.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 72.0 mtm -60.25 -42.68 95.83 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.005 0.816 . . . . 64.13 110.32 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 69.2 mt -67.09 -33.49 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.491 0.716 . . . . 74.24 110.665 178.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' B' ' 28' ' ' LYS . 47.5 mt-10 -74.91 -33.88 62.08 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.316 0.646 . . . . 72.53 111.009 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -72.43 -43.19 64.18 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.233 0.613 . . . . 72.01 110.722 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 80.2 mt -72.98 -28.69 27.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 115.034 -0.984 . . . . 42.14 109.868 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.44 -59.33 2.61 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 115.671 -0.695 . . . . 73.24 111.412 -176.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -135.93 96.73 3.47 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.962 0.905 . . . . 73.2 109.428 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.591 ' HB3' HD11 ' B' ' 41' ' ' ILE . 30.6 m -94.78 73.01 3.59 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.342 0.592 . . . . 70.42 109.815 176.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.38 -28.72 56.86 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.161 -0.927 . . . . 74.45 110.35 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.9 m -66.52 149.45 98.08 Favored Pre-proline 0 CA--C 1.558 1.27 0 C-N-CA 123.999 0.919 . . . . 74.11 111.46 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.57 131.01 39.98 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.926 2.417 . . . . 71.43 111.012 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' B' ' 37' ' ' SER . 50.4 mm -91.7 107.77 24.74 Favored Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 123.3 0.64 . . . . 75.1 109.503 -176.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.97 142.28 21.95 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 121.784 1.656 . . . . 74.52 110.975 174.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.7 mt -123.64 85.63 53.03 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 106.971 -1.492 . . . . 73.23 106.971 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -83.83 49.85 2.98 Favored 'Trans proline' 0 C--N 1.377 2.064 0 C-N-CA 123.651 2.901 . . . . 72.24 112.722 -170.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -147.07 -58.75 0.27 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.586 1.154 . . . . 75.43 108.857 -177.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.65 128.64 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 CA-C-N 115.235 -0.893 . . . . 70.11 110.653 -177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 82.5 p -76.83 171.57 14.53 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.189 0.996 . . . . 64.11 110.603 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.5 p -69.64 -43.48 72.54 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.766 0.426 . . . . 73.23 111.838 -175.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 91.3 m -56.83 -42.71 80.11 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.116 0.967 . . . . 74.4 111.248 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.501 HG23 HD23 ' B' ' 91' ' ' LEU . 48.0 mm -80.47 -45.18 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-N 115.126 -0.943 . . . . 44.11 110.528 -174.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 27.3 tp -65.16 -30.23 71.13 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.384 0.674 . . . . 75.34 110.83 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -60.01 -48.43 81.73 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.513 0.725 . . . . 43.54 109.733 175.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.6 ' HD2' HD21 ' B' ' 91' ' ' LEU . 58.0 mttm -62.13 -52.08 65.28 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 124.157 0.911 . . . . 72.14 111.208 -179.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 50' ' ' ILE . 48.2 t -61.32 -45.12 99.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 115.284 -0.871 . . . . 74.41 110.437 -172.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 70.6 mt -74.37 -29.38 61.53 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.33 0.652 . . . . 74.12 112.438 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -73.28 -36.24 66.29 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-O 120.925 0.393 . . . . 72.31 110.425 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -70.87 -36.6 72.86 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 115.927 -0.579 . . . . 73.55 109.928 174.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.659 ' SG ' HD13 ' B' ' 100' ' ' ILE . 99.8 m -61.56 -40.39 94.54 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.883 0.473 . . . . 64.3 110.663 174.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -62.0 -46.03 90.99 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.485 0.714 . . . . 63.0 110.308 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -59.98 -42.86 95.11 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.148 0.979 . . . . 72.54 111.675 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -75.53 -21.25 58.1 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.703 0.801 . . . . 62.34 110.875 -177.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . 0.417 ' CG ' HG12 ' B' ' 20' ' ' ILE . 75.9 t60 -80.48 -35.04 35.33 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.826 -0.435 . . . . 74.24 109.826 174.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -70.57 -36.59 73.69 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.94 0.896 . . . . 73.42 110.795 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -137.04 85.57 22.3 Favored Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 124.171 0.988 . . . . 71.21 108.977 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.98 -76.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 122.482 2.121 . . . . 71.05 111.188 172.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 47.99 -130.89 18.42 Favored Glycine 0 C--N 1.362 1.999 0 O-C-N 123.993 0.808 . . . . 74.13 113.609 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -97.43 0.11 59.73 Favored Glycine 0 CA--C 1.531 1.085 0 N-CA-C 111.61 -0.596 . . . . 64.11 111.61 168.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 15.1 m 68.14 -151.46 0.16 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.781 1.232 . . . . 62.35 110.458 -177.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -61.53 -28.96 70.51 Favored Glycine 0 CA--C 1.543 1.807 0 CA-C-O 119.283 -0.731 . . . . 64.14 114.061 -176.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 95.5 mt 57.32 -88.15 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 125.19 1.396 . . . . 73.25 111.265 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -142.01 -14.6 0.81 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 125.221 1.408 . . . . 55.22 109.855 175.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -60.59 -57.4 12.89 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.699 1.199 . . . . 61.35 110.661 176.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 43.1 mm 61.25 96.89 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.185 0 C-N-CA 125.371 1.468 . . . . 54.53 110.698 -176.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -58.63 152.53 55.23 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.934 2.423 . . . . 75.24 112.714 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.81 -47.24 27.43 Favored 'Trans proline' 0 C--N 1.381 2.268 0 C-N-CA 123.944 3.096 . . . . 42.1 113.111 -176.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -54.67 -51.53 65.19 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.804 0.69 . . . . 73.24 111.276 176.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.09 -33.42 74.4 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 124.104 0.877 . . . . 73.52 111.288 -173.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' B' ' 82' ' ' LYS . 52.3 ttp180 -74.32 -55.1 6.4 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.26 -0.427 . . . . 74.25 110.196 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.71 -31.85 68.64 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.762 0.825 . . . . 74.34 111.721 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -61.29 -51.48 68.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.208 1.003 . . . . 62.44 110.333 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 83.8 m -76.74 -13.04 60.07 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 115.643 -0.708 . . . . 63.33 111.796 -175.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 78' ' ' ARG . 31.9 mmmt -74.91 85.53 2.24 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 109.159 -0.682 . . . . 75.33 109.159 171.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 29.1 m -126.75 168.68 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.746 1.218 . . . . 74.55 109.729 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -70.47 166.52 20.29 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.114 0.565 . . . . 74.01 110.816 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.466 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 51.6 tp60 -58.3 -52.47 74.37 Favored Pre-proline 0 N--CA 1.49 1.548 0 N-CA-C 113.673 0.99 . . . . 64.04 113.673 -169.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.466 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 22.8 Cg_exo -65.34 -32.48 50.62 Favored 'Trans proline' 0 C--N 1.387 2.585 0 C-N-CA 121.94 1.76 . . . . 61.42 111.968 175.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 8.0 m -65.39 -32.9 74.78 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.771 0.828 . . . . 73.01 111.248 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 85' ' ' GLN . 78.5 mt -56.0 -49.26 74.14 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.033 0.933 . . . . 71.1 109.825 172.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -69.62 -34.91 74.75 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.082 -0.963 . . . . 53.11 111.573 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -61.03 -40.6 94.21 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.154 0.582 . . . . 62.31 111.007 176.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.6 HD21 ' HD2' ' B' ' 53' ' ' LYS . 84.6 mt -73.21 -33.23 65.25 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.462 0.705 . . . . 73.34 111.522 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.72 -44.06 89.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.335 0.654 . . . . 74.42 109.933 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.53 -39.87 77.26 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.718 0.807 . . . . 64.4 110.859 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.85 -39.21 76.52 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.824 0.849 . . . . 73.53 111.685 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.555 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -68.31 -40.41 81.71 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 115.474 -0.784 . . . . 71.43 111.003 177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.27 -32.22 69.94 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.111 0.564 . . . . 72.41 110.459 176.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -62.33 -44.6 96.12 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.201 1.0 . . . . 74.21 111.213 178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 80.9 mt -98.3 -4.76 34.4 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.948 0.499 . . . . 51.34 112.004 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 24.7 t0 51.93 49.89 19.76 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.104 1.362 . . . . 61.11 111.608 -173.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.659 HD13 ' SG ' ' B' ' 58' ' ' CYS . 58.9 mt -88.2 91.79 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 114.565 -1.198 . . . . 71.55 108.225 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' B' ' 102' ' ' PRO . 53.1 mttm -62.13 -43.49 86.2 Favored Pre-proline 0 CA--C 1.559 1.319 0 CA-C-N 114.174 -1.376 . . . . 74.12 113.021 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' B' ' 101' ' ' LYS . 9.3 Cg_endo -52.43 -41.42 67.38 Favored 'Trans proline' 0 C--N 1.401 3.308 0 C-N-CA 122.378 2.052 . . . . 73.44 113.435 174.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.6 tm? -80.84 -41.74 22.71 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 110.103 -0.332 . . . . 74.3 110.103 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 104' ' ' LEU . 48.7 tp -58.76 -48.2 82.02 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.87 0.868 . . . . 64.31 110.831 -176.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.58 -51.51 68.23 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 124.417 1.073 . . . . 72.34 110.42 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 80.5 t -62.57 -41.03 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 C-N-CA 123.298 0.639 . . . . 71.24 111.936 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 29.0 m -70.05 -36.05 74.7 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 120.961 0.41 . . . . 53.44 111.158 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 71.0 m -69.57 -29.41 66.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 115.883 -0.598 . . . . 63.05 110.742 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.9 -31.49 59.21 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.237 0.615 . . . . 72.24 110.589 173.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 92.0 m -65.94 -45.39 81.98 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.472 0.709 . . . . 74.3 111.097 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -68.61 -31.91 52.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-N 116.299 -0.41 . . . . 72.44 110.457 175.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.19 -24.97 62.33 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.403 0.681 . . . . 70.3 111.501 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . 0.444 ' HA ' ' HB2' ' B' ' 116' ' ' ARG . 13.1 m-80 -67.81 -25.72 65.71 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.004 0.522 . . . . 63.23 111.25 176.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 70.7 mtm -73.08 -30.06 63.4 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.953 0.501 . . . . 70.35 110.988 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 37.3 pt -101.96 -1.51 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 C-N-CA 123.613 0.765 . . . . 73.22 111.721 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . 0.444 ' HB2' ' HA ' ' B' ' 113' ' ' ASN . 31.7 tpt180 -59.61 99.27 0.06 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.282 1.033 . . . . 74.2 111.307 -176.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.946 -0.919 . . . . 62.21 111.683 176.006 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 109.259 -0.645 . . . . 52.22 109.259 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.426 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 53.4 mt -111.94 119.59 39.04 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.026 0.53 . . . . 72.24 110.92 -172.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -99.26 148.31 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 N-CA-C 108.25 -1.018 . . . . 71.52 108.25 166.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.574 ' HG2' ' HG2' ' A' ' 15' ' ' GLU . 95.9 mttt -95.02 132.78 39.51 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 122.824 0.45 . . . . 74.02 110.94 -171.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.0 mt -122.54 107.36 11.92 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.93 0.892 . . . . 75.12 109.534 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.409 ' HG3' HG22 ' A' ' 13' ' ' VAL . 4.3 mt-10 -83.64 119.67 25.04 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 109.385 -0.598 . . . . 63.24 109.385 175.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 p -74.38 -177.19 2.96 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.419 0.688 . . . . 70.41 111.173 175.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -60.99 -22.56 64.63 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.407 0.683 . . . . 72.41 111.708 173.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -95.2 12.03 30.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.959 0.904 . . . . 72.1 111.436 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 66.1 16.1 10.32 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.198 0.999 . . . . 72.15 112.256 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -82.04 121.76 26.96 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 123.169 0.587 . . . . 64.12 109.682 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.426 HG13 ' HB3' ' A' ' 5' ' ' LYS . 68.1 t -83.13 94.66 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.061 0.945 . . . . 63.11 110.21 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -84.2 93.31 8.15 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 109.359 -0.608 . . . . 72.42 109.359 172.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 44.7 mt-10 -71.78 93.81 1.33 Allowed 'General case' 0 C--O 1.237 0.423 0 N-CA-C 108.346 -0.983 . . . . 74.34 108.346 174.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 55' ' ' LEU . 10.4 tp -98.31 152.92 4.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-N 115.231 -0.895 . . . . 75.22 109.416 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -61.44 141.52 57.61 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 120.995 0.426 . . . . 55.32 110.793 174.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HE3' HD13 ' A' ' 31' ' ' ILE . 22.5 tptm -61.43 -39.17 89.79 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 114.636 -1.165 . . . . 75.44 110.952 -176.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.16 -39.5 90.33 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 123.871 0.732 . . . . 73.34 110.795 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.533 HG23 ' HB3' ' A' ' 58' ' ' CYS . 76.1 mt -68.0 -44.1 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.245 1.018 . . . . 73.22 110.448 178.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.63 -25.7 66.72 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.254 -0.884 . . . . 62.14 111.57 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.5 m -75.45 -35.97 60.8 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.568 0.747 . . . . 71.13 111.175 172.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 42.5 mtm -62.36 -34.44 76.67 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.323 0.582 . . . . 72.35 110.291 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.468 ' HA ' HG12 ' A' ' 100' ' ' ILE . 34.2 t -72.44 104.22 3.72 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.748 -1.115 . . . . 70.31 108.233 169.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 57.5 t -63.31 -40.35 88.72 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 123.118 0.567 . . . . 75.25 111.703 -171.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.1 m -63.69 -46.69 84.34 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.569 0.748 . . . . 73.35 112.242 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.97 -42.03 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 109.827 -0.434 . . . . 75.45 109.827 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -55.58 -44.42 76.9 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.028 0.931 . . . . 71.55 110.827 172.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -64.76 -38.48 91.12 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.469 0.708 . . . . 74.12 111.008 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -46.4 90.78 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.289 0.635 . . . . 74.12 110.248 176.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.414 HD13 ' HE3' ' A' ' 18' ' ' LYS . 95.1 mt -59.97 -49.8 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 124.006 0.816 . . . . 74.2 110.161 178.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.71 -35.1 79.79 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.805 0.842 . . . . 75.54 111.928 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.53 -38.23 65.34 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.614 0.765 . . . . 52.14 110.967 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.7 mt -83.37 -6.02 9.75 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 CA-C-N 115.663 -0.698 . . . . 63.21 109.838 174.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.96 -58.75 1.04 Allowed Glycine 0 C--N 1.349 1.254 0 N-CA-C 111.061 -0.816 . . . . 70.45 111.061 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -167.98 137.82 2.62 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.5 1.12 . . . . 65.25 108.659 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.6 m -147.77 115.51 6.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.889 0.475 . . . . 62.44 110.884 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -95.55 -13.25 24.61 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.887 0.875 . . . . 73.44 110.004 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 p -56.94 158.66 8.66 Favored Pre-proline 0 CA--C 1.561 1.394 0 C-N-CA 125.858 1.663 . . . . 62.3 112.817 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -61.49 93.72 0.12 Allowed 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.358 2.039 . . . . 44.32 112.451 176.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.4 mm -71.62 111.36 10.08 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.833 0.853 . . . . 74.51 109.347 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -77.49 127.25 8.83 Favored 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 122.18 1.92 . . . . 75.01 111.99 -177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.9 mt -118.04 86.43 25.94 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 125.25 1.42 . . . . 72.12 108.165 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.99 -26.87 18.01 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 122.976 2.451 . . . . 63.35 114.128 -171.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -86.07 14.99 5.46 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.188 0.595 . . . . 75.31 112.307 -173.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 p -145.55 131.21 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 123.148 0.579 . . . . 61.1 109.565 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.5 p -75.63 166.65 23.24 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.192 0.597 . . . . 72.41 110.392 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.0 p -63.47 -38.83 92.65 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.329 0.652 . . . . 44.22 111.744 -179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.8 p -64.38 -47.36 79.54 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.705 0.802 . . . . 75.34 111.951 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.408 HG23 HD23 ' A' ' 91' ' ' LEU . 48.9 mm -71.6 -46.0 64.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.069 0.548 . . . . 73.52 109.754 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.2 -36.71 78.26 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.618 0.767 . . . . 74.01 111.136 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -56.06 -50.23 71.57 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 124.08 0.862 . . . . 65.03 109.907 176.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -70.93 -36.98 72.86 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 124.488 1.117 . . . . 73.53 112.197 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.444 HG13 HD13 ' A' ' 103' ' ' LEU . 79.6 t -64.25 -42.62 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 122.927 0.491 . . . . 72.4 110.017 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 97.5 mt -73.8 -32.31 63.69 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.582 -0.736 . . . . 63.43 111.095 176.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.54 -44.26 82.88 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.682 1.193 . . . . 60.15 111.551 -176.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.452 ' OH ' HG21 ' A' ' 106' ' ' VAL . 84.3 t80 -60.59 -42.41 96.66 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.278 0.631 . . . . 72.24 110.309 174.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.533 ' HB3' HG23 ' A' ' 20' ' ' ILE . 72.4 m -67.78 -28.43 67.59 Favored 'General case' 0 CA--C 1.557 1.221 0 CA-C-N 115.243 -0.89 . . . . 75.51 111.87 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 52.4 mtt180 -59.31 -40.1 85.15 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.208 0.603 . . . . 65.4 110.692 171.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -59.71 -36.42 76.5 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.685 0.794 . . . . 74.42 111.196 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -78.88 -19.84 50.94 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.28 0.632 . . . . 63.45 111.96 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -82.43 -46.19 13.81 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 122.91 0.484 . . . . 73.3 110.829 174.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -76.21 -31.01 58.21 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.713 0.805 . . . . 73.21 110.682 -177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -131.47 90.6 37.09 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 108.061 -1.089 . . . . 75.53 108.061 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -54.8 94.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.379 2.132 0 C-N-CA 123.017 2.478 . . . . 32.42 112.135 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.03 -47.99 3.6 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-N 115.126 -0.943 . . . . 74.22 112.27 -176.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.55 -95.31 1.21 Allowed Glycine 0 C--N 1.351 1.392 0 N-CA-C 110.234 -1.146 . . . . 63.51 110.234 -172.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m 61.46 -178.69 0.12 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.754 1.222 . . . . 54.41 114.082 170.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 159.07 -143.21 8.99 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 115.58 -0.736 . . . . 31.2 111.327 174.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.6 tp -82.1 -38.79 24.3 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.914 -0.773 . . . . 72.13 108.914 172.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -111.83 108.54 17.97 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 114.848 -1.069 . . . . 52.45 108.202 172.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.44 27.51 1.68 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.059 0.944 . . . . 74.04 112.298 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 32.5 mm -118.4 84.38 23.2 Favored Pre-proline 0 CA--C 1.55 0.975 0 N-CA-C 108.782 -0.822 . . . . 45.12 108.782 171.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -73.7 146.29 38.25 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.38 2.054 . . . . 60.14 111.031 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -48.5 -36.84 32.34 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 123.145 2.563 . . . . 50.24 113.762 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -57.22 -56.66 18.89 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.274 1.03 . . . . 64.01 111.24 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.38 -28.41 62.01 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.376 1.071 . . . . 64.04 110.527 -174.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -66.89 -41.84 86.54 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.094 0.958 . . . . 72.43 110.489 175.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -77.19 -24.49 51.37 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.918 0.487 . . . . 73.24 111.33 177.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.76 -36.28 82.56 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.091 0.556 . . . . 65.44 110.212 172.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 73.2 m -69.66 -8.88 51.45 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 115.173 -0.921 . . . . 54.44 112.448 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -70.99 88.51 0.76 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-O 121.41 0.624 . . . . 72.33 109.642 170.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.493 HG11 HD11 ' A' ' 91' ' ' LEU . 3.0 m -139.95 145.35 26.6 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 C-N-CA 125.001 1.32 . . . . 74.24 108.857 174.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -66.53 158.9 28.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.868 0.867 . . . . 51.03 109.591 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -52.86 -50.69 80.02 Favored Pre-proline 0 CA--C 1.573 1.828 0 CA-C-O 118.419 -0.8 . . . . 75.13 112.887 -169.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -62.02 -32.29 84.06 Favored 'Trans proline' 0 C--N 1.39 2.734 0 C-N-CA 122.033 1.822 . . . . 73.41 113.377 171.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.4 m -68.16 -28.53 67.37 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.757 0.823 . . . . 65.12 112.028 -175.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 mp -55.01 -46.45 75.22 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.914 -0.402 . . . . 54.25 109.914 169.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.43 ' HE1' ' HE1' ' B' ' 89' ' ' PHE . 42.5 m-85 -69.34 -31.47 69.94 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.484 0.714 . . . . 73.44 111.544 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -64.77 -36.02 82.97 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.811 0.444 . . . . 70.02 110.81 176.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.493 HD11 HG11 ' A' ' 83' ' ' VAL . 71.4 mt -71.06 -38.82 72.47 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.215 0.606 . . . . 75.3 110.921 174.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.43 -43.45 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 C-N-CA 123.314 0.645 . . . . 72.55 110.628 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.11 -41.36 90.67 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.858 0.863 . . . . 72.05 110.845 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.58 -32.51 62.41 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.42 0.688 . . . . 52.21 111.749 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.512 ' HB2' HD22 ' A' ' 103' ' ' LEU . . . -73.32 -34.7 65.82 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.991 0.516 . . . . 70.35 110.976 177.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -76.54 -35.8 58.04 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.337 0.655 . . . . 74.22 110.133 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -64.93 -45.7 84.7 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.585 0.754 . . . . 70.5 110.886 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.428 HD12 HG11 ' A' ' 54' ' ' VAL . 85.6 mt -88.3 -8.77 54.64 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.534 0.733 . . . . 71.14 111.143 179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.424 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 36.1 t0 60.46 32.41 20.54 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.122 1.369 . . . . 72.23 111.112 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.468 HG12 ' HA ' ' A' ' 24' ' ' SER . 23.4 mt -80.94 82.15 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 107.837 -1.172 . . . . 72.52 107.837 171.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.457 ' HA ' ' HB3' ' A' ' 104' ' ' LEU . 48.1 mtpt -63.54 -34.19 12.19 Favored Pre-proline 0 CA--C 1.563 1.473 0 CA-C-N 114.409 -1.269 . . . . 71.15 113.727 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -48.17 -52.06 8.97 Favored 'Trans proline' 0 C--N 1.398 3.164 0 C-N-CA 122.19 1.927 . . . . 63.01 113.287 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.512 HD22 ' HB2' ' A' ' 95' ' ' ALA . 7.3 tt -68.42 -43.14 77.83 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.939 0.496 . . . . 54.22 110.217 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.457 ' HB3' ' HA ' ' A' ' 101' ' ' LYS . 61.3 tp -54.21 -49.25 69.84 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.059 0.944 . . . . 64.32 111.316 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.47 -39.85 92.45 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 124.072 0.857 . . . . 61.4 111.578 -177.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.452 HG21 ' OH ' ' A' ' 57' ' ' TYR . 77.1 t -66.34 -41.29 88.69 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 C-N-CA 123.239 0.615 . . . . 50.44 111.222 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 17.9 m -71.2 -29.64 65.41 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.917 0.487 . . . . 70.45 110.662 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' B' ' 93' ' ' LEU . 85.8 m -68.45 -32.24 72.12 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.281 0.632 . . . . 74.33 110.541 172.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -69.74 -40.68 76.01 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.93 0.492 . . . . 74.5 110.022 172.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.8 m -60.54 -46.98 88.16 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.648 0.779 . . . . 75.3 111.667 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.0 m -69.7 -33.75 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.681 0.392 . . . . 70.15 111.0 178.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.61 -31.66 70.99 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.302 0.641 . . . . 54.11 111.178 176.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -67.64 -36.55 80.97 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.4 0.68 . . . . 61.32 110.972 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 49.8 mtm -62.68 -45.13 94.19 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.885 0.474 . . . . 73.41 110.686 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.501 ' HB ' ' HB3' ' B' ' 86' ' ' PRO . 36.4 pt -86.67 -11.55 11.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 115.713 -0.676 . . . . 54.32 112.122 -175.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -65.98 -40.82 91.54 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.522 0.729 . . . . 72.44 111.007 -176.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 CA-C-O 119.634 -0.536 . . . . 71.13 111.816 177.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 109.674 -0.491 . . . . 63.24 109.674 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.41 ' HB3' ' HB3' ' B' ' 15' ' ' GLU . 47.5 mt -113.56 120.16 39.99 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.802 0.441 . . . . 74.53 111.025 -172.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.9 m -99.77 147.4 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.393 -0.965 . . . . 73.12 108.393 166.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.563 ' HG2' ' HG2' ' B' ' 15' ' ' GLU . 95.9 mttt -94.05 132.97 38.01 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 122.773 0.429 . . . . 73.24 111.208 -171.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.6 mt -122.59 107.83 12.43 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.935 0.894 . . . . 75.42 109.504 175.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.404 ' HG3' HG22 ' B' ' 13' ' ' VAL . 4.3 mt-10 -84.64 119.48 25.28 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 109.569 -0.53 . . . . 72.4 109.569 175.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 44.5 p -74.65 -177.42 3.18 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.38 0.672 . . . . 73.32 111.235 175.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.2 t -61.05 -22.83 64.95 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 123.602 0.761 . . . . 74.23 111.476 174.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -94.38 13.19 24.48 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.924 0.889 . . . . 74.3 111.584 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 65.38 13.7 8.98 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 124.212 1.005 . . . . 60.24 112.5 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -80.48 122.08 26.55 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.003 0.521 . . . . 72.41 109.711 -178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.422 HG13 ' HB3' ' B' ' 5' ' ' LYS . 73.4 t -83.26 93.93 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 C-N-CA 123.971 0.908 . . . . 54.33 110.482 -177.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -83.58 92.97 7.76 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 123.267 0.627 . . . . 65.44 109.481 172.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.563 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 43.3 mt-10 -71.32 92.6 1.06 Allowed 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.594 -0.891 . . . . 74.32 108.594 173.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.44 HD13 ' HB3' ' B' ' 55' ' ' LEU . 10.5 tp -97.56 152.64 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-N 115.445 -0.798 . . . . 64.14 109.762 -176.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -61.07 141.19 57.59 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 122.635 0.374 . . . . 71.0 110.617 174.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.452 ' HE3' HD13 ' B' ' 31' ' ' ILE . 22.8 tptm -61.15 -38.97 88.33 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.466 1.107 . . . . 75.42 111.175 -176.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.9 -40.22 92.24 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.83 0.706 . . . . 75.34 110.705 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.532 HG23 ' HB3' ' B' ' 58' ' ' CYS . 76.2 mt -67.14 -44.2 88.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 115.168 -0.924 . . . . 74.35 110.369 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.46 -25.48 66.74 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.322 -0.854 . . . . 74.4 111.666 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 72.3 m -75.8 -34.85 60.19 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.606 0.762 . . . . 74.24 111.154 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 44.4 mtm -63.39 -35.02 79.01 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.386 0.612 . . . . 73.43 110.14 175.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.476 ' HA ' HG12 ' B' ' 100' ' ' ILE . 33.9 t -71.89 104.67 3.55 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.844 -1.071 . . . . 74.34 108.31 169.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.423 ' HA ' ' HE3' ' B' ' 28' ' ' LYS . 61.5 t -64.03 -39.96 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 122.921 0.489 . . . . 55.42 111.631 -171.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 94.4 m -64.04 -46.61 83.67 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.363 0.665 . . . . 75.52 112.132 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.8 -41.76 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 122.759 0.424 . . . . 55.42 109.878 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' B' ' 25' ' ' VAL . 16.0 ttpp -56.13 -44.29 79.02 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 124.002 0.921 . . . . 75.01 110.695 172.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -65.14 -37.4 87.29 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.473 0.709 . . . . 61.34 111.121 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -46.53 88.87 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.41 0.684 . . . . 65.45 110.302 176.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.452 HD13 ' HE3' ' B' ' 18' ' ' LYS . 96.0 mt -59.65 -49.91 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.751 0.82 . . . . 75.22 110.177 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.77 -37.35 87.32 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.685 0.794 . . . . 63.52 111.968 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -71.82 -37.78 70.28 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.758 0.823 . . . . 75.34 111.293 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.4 mt -84.05 -5.33 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.441 0 C-N-CA 123.651 0.78 . . . . 73.24 109.948 174.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.55 -58.59 1.11 Allowed Glycine 0 C--N 1.346 1.098 0 N-CA-C 110.917 -0.873 . . . . 73.21 110.917 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -167.59 138.48 2.94 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.288 1.035 . . . . 73.54 108.504 174.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 60.3 m -148.36 113.53 5.53 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.053 0.541 . . . . 74.3 111.412 -177.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -94.51 -11.91 28.69 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.688 0.795 . . . . 61.2 110.063 167.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 27.2 p -57.7 158.19 12.56 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 125.046 1.338 . . . . 74.11 112.454 -178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -60.79 95.12 0.11 Allowed 'Trans proline' 0 C--N 1.38 2.204 0 C-N-CA 122.103 1.869 . . . . 73.02 111.984 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.1 mm -72.41 111.43 10.95 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.828 0.851 . . . . 72.0 109.217 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -77.49 126.14 8.1 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.181 1.92 . . . . 73.41 112.242 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 68.3 mt -117.16 87.33 23.14 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 125.143 1.377 . . . . 75.34 108.246 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.55 -29.64 16.01 Favored 'Trans proline' 0 C--N 1.374 1.89 0 C-N-CA 123.07 2.513 . . . . 55.01 113.904 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -84.03 14.96 3.7 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.217 0.607 . . . . 74.14 112.46 -173.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 12.9 p -145.34 131.15 13.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.928 0 C-N-CA 123.232 0.613 . . . . 62.01 109.744 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 66.4 p -75.45 166.8 23.04 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.116 0.566 . . . . 72.53 110.293 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 53.1 p -64.34 -37.59 88.04 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.595 0.758 . . . . 72.43 111.707 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 31.4 p -64.35 -48.94 73.64 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.604 0.762 . . . . 74.25 111.383 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.406 ' O ' HG23 ' B' ' 54' ' ' VAL . 49.0 mm -70.34 -46.39 71.41 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 C-N-CA 122.914 0.486 . . . . 73.52 109.733 -178.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 46.3 tp -59.84 -36.87 77.74 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.585 0.754 . . . . 64.21 111.318 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -56.33 -49.86 73.15 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.98 0.8 . . . . 75.41 109.861 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -71.01 -37.19 72.63 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.389 1.056 . . . . 72.55 112.101 -175.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.444 HG13 HD13 ' B' ' 103' ' ' LEU . 81.6 t -63.88 -43.16 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.053 0.541 . . . . 62.3 110.048 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' B' ' 59' ' ' ARG . 97.8 mt -73.44 -32.12 64.19 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.603 -0.726 . . . . 72.42 110.991 176.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.71 -44.58 81.25 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 124.646 1.178 . . . . 64.23 111.68 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . 0.455 ' OH ' HG21 ' B' ' 106' ' ' VAL . 85.0 t80 -60.37 -41.86 94.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.202 0.601 . . . . 75.02 110.357 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.532 ' HB3' HG23 ' B' ' 20' ' ' ILE . 72.4 m -68.41 -28.46 67.1 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-N 115.332 -0.849 . . . . 51.23 111.951 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 55' ' ' LEU . 56.0 mtt180 -59.24 -39.84 84.03 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 122.975 0.51 . . . . 72.13 110.5 171.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -59.94 -36.28 76.73 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.66 0.784 . . . . 64.53 111.272 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -78.99 -19.5 51.47 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.463 0.705 . . . . 73.34 111.958 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -82.69 -46.53 13.1 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.034 0.534 . . . . 72.12 110.907 174.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.15 -29.93 57.96 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.848 0.859 . . . . 74.3 110.904 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -132.84 90.71 31.37 Favored Pre-proline 0 CA--C 1.547 0.856 0 N-CA-C 107.802 -1.184 . . . . 74.42 107.802 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.11 95.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 123.073 2.515 . . . . 75.34 112.181 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.25 -48.56 3.82 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 115.144 -0.934 . . . . 72.3 112.373 -175.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.36 -93.77 1.24 Allowed Glycine 0 C--N 1.35 1.336 0 N-CA-C 110.37 -1.092 . . . . 65.53 110.37 -173.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 50.4 m 59.64 -179.17 0.09 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 114.442 1.275 . . . . 75.54 114.442 170.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 159.21 -143.44 9.2 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 115.421 -0.809 . . . . 44.14 111.453 174.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 67.7 tp -81.9 -37.9 26.14 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.729 -0.841 . . . . 70.23 108.729 172.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -112.23 109.47 19.16 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.474 -0.936 . . . . 63.31 108.474 171.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.34 27.54 1.91 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.033 0.933 . . . . 60.53 112.32 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 33.7 mm -118.0 82.78 17.91 Favored Pre-proline 0 CA--C 1.552 1.024 0 N-CA-C 108.976 -0.75 . . . . 73.22 108.976 171.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -72.88 145.74 41.01 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.412 2.075 . . . . 74.32 111.062 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -48.07 -36.78 29.02 Favored 'Trans proline' 0 C--N 1.375 1.938 0 C-N-CA 123.217 2.611 . . . . 52.33 114.051 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -57.65 -56.3 23.69 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.772 1.229 . . . . 74.34 111.236 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.71 -28.24 61.62 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.42 1.088 . . . . 61.15 110.613 -174.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -67.54 -41.57 84.1 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.208 1.003 . . . . 61.42 110.251 176.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -77.28 -24.44 50.99 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 115.606 -0.724 . . . . 70.04 111.189 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -63.08 -35.8 81.45 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.168 0.587 . . . . 51.11 110.111 172.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.3 -7.57 43.58 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 115.277 -0.874 . . . . 73.11 112.597 179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -72.43 87.04 1.16 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 121.525 0.679 . . . . 63.25 109.865 170.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.491 HG11 HD11 ' B' ' 91' ' ' LEU . 3.1 m -137.98 145.29 29.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 124.651 1.18 . . . . 74.13 108.827 174.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -66.03 158.16 29.06 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.674 0.79 . . . . 60.23 109.537 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -52.7 -49.63 85.36 Favored Pre-proline 0 CA--C 1.572 1.805 0 CA-C-O 118.679 -0.677 . . . . 74.44 112.772 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.501 ' HB3' ' HB ' ' A' ' 115' ' ' ILE . 22.0 Cg_endo -62.08 -33.27 83.0 Favored 'Trans proline' 0 C--N 1.388 2.619 0 C-N-CA 122.092 1.862 . . . . 75.14 113.576 171.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 8.5 m -67.78 -28.62 67.76 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.834 0.853 . . . . 63.51 111.998 -175.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 6.3 mp -54.57 -46.87 73.79 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 109.905 -0.405 . . . . 74.33 109.905 169.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.43 ' HE1' ' HE1' ' A' ' 89' ' ' PHE . 40.9 m-85 -69.35 -31.63 70.18 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.59 -0.732 . . . . 73.24 111.563 -179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -64.65 -35.95 82.69 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.724 0.41 . . . . 74.13 110.733 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.491 HD11 HG11 ' B' ' 83' ' ' VAL . 74.7 mt -71.15 -38.28 72.24 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.12 0.568 . . . . 65.54 110.958 174.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.67 -43.63 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 C-N-CA 123.303 0.641 . . . . 75.02 110.571 175.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.414 HD23 ' HB3' ' A' ' 108' ' ' CYS . 84.6 mt -65.56 -41.65 92.71 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.874 0.87 . . . . 73.2 110.87 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.86 -32.48 61.91 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.475 0.71 . . . . 60.21 111.698 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.504 ' HB2' HD22 ' B' ' 103' ' ' LEU . . . -73.21 -33.92 65.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.009 0.524 . . . . 61.54 111.158 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -77.43 -35.42 54.11 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.447 0.699 . . . . 74.31 110.074 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -65.14 -46.1 82.28 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.894 0.878 . . . . 74.44 110.624 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.435 HD12 HG11 ' B' ' 54' ' ' VAL . 85.6 mt -88.51 -8.46 54.8 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.581 0.752 . . . . 75.54 111.117 179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.411 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 38.5 t0 59.95 33.13 21.42 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.153 1.381 . . . . 72.04 111.198 178.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.476 HG12 ' HA ' ' B' ' 24' ' ' SER . 23.0 mt -81.35 81.96 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.628 0 N-CA-C 107.939 -1.134 . . . . 62.41 107.939 171.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.419 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 49.4 mtpt -63.34 -34.09 12.26 Favored Pre-proline 0 CA--C 1.564 1.495 0 CA-C-N 114.225 -1.352 . . . . 74.31 113.592 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.3 -52.17 8.85 Favored 'Trans proline' 0 C--N 1.399 3.233 0 C-N-CA 122.284 1.989 . . . . 74.13 113.252 166.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.504 HD22 ' HB2' ' B' ' 95' ' ' ALA . 7.2 tt -68.55 -42.63 78.11 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 122.784 0.433 . . . . 74.04 110.302 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.419 ' HB3' ' HA ' ' B' ' 101' ' ' LYS . 63.9 tp -54.46 -49.03 71.02 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.931 0.892 . . . . 75.13 111.302 -178.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.49 -40.06 92.64 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.331 1.02 . . . . 63.4 111.601 -176.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.455 HG21 ' OH ' ' B' ' 57' ' ' TYR . 72.6 t -66.08 -41.63 89.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.899 0 C-N-CA 123.321 0.648 . . . . 71.34 111.38 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 17.6 m -71.14 -29.39 65.17 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.921 0.488 . . . . 52.04 110.596 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 85.8 m -68.84 -32.01 71.4 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.276 0.63 . . . . 73.21 110.481 173.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.95 -40.82 75.22 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.819 0.448 . . . . 74.44 110.073 172.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 40.4 m -60.15 -47.01 87.74 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.677 0.791 . . . . 65.31 111.602 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.71 -33.74 57.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 122.58 0.352 . . . . 53.33 111.005 178.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.19 -32.19 72.24 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.308 0.643 . . . . 70.03 111.132 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -68.13 -35.1 77.58 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.602 0.761 . . . . 55.05 111.051 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 49.5 mtm -64.27 -44.52 91.44 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.071 0.548 . . . . 61.23 110.686 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 34.5 pt -86.68 -13.21 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 115.912 -0.586 . . . . 62.22 112.056 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -64.09 -40.88 97.18 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.564 0.746 . . . . 73.04 111.482 -176.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.329 0 CA-C-O 119.538 -0.59 . . . . 54.4 112.672 178.889 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 m . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.401 0.143 . . . . 53.0 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 mt -110.3 115.66 30.09 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.357 -0.608 . . . . 52.52 109.357 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m -86.9 107.53 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 N-CA-C 108.913 -0.773 . . . . 74.05 108.913 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.572 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 93.9 mttt -75.77 108.39 8.6 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 114.997 -1.001 . . . . 51.51 109.969 -177.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.6 mt -100.56 92.5 5.15 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.511 0.724 . . . . 75.15 109.978 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.528 ' HG3' HG22 ' A' ' 13' ' ' VAL . 3.0 mp0 -69.12 108.72 3.7 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.848 -0.797 . . . . 75.33 108.848 170.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.7 p -62.11 -179.12 0.2 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.292 0.637 . . . . 74.2 111.298 176.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.6 t -66.98 -17.1 64.76 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 123.084 0.553 . . . . 72.31 110.635 174.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 48' ' ' SER . 36.3 t70 -96.73 8.16 44.92 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 124.602 1.161 . . . . 55.5 110.35 175.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 68.53 9.66 7.43 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 125.843 1.657 . . . . 52.43 113.434 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.511 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 9.8 mmpt? -73.08 122.58 22.03 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 109.623 -0.51 . . . . 73.34 109.623 177.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.528 HG22 ' HG3' ' A' ' 7' ' ' GLU . 42.1 t -81.37 101.66 6.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 123.971 0.908 . . . . 75.21 109.785 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -93.35 88.83 6.12 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.657 0.783 . . . . 73.31 109.481 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.53 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 23.5 mt-10 -76.63 76.19 3.31 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.456 -0.793 . . . . 41.13 109.062 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 55' ' ' LEU . 12.3 tt -92.49 149.14 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-N 115.407 -0.815 . . . . 60.12 109.342 -175.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -67.34 135.3 53.05 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.325 0.65 . . . . 52.32 109.975 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.543 ' HE2' HG21 ' A' ' 31' ' ' ILE . 56.6 tttm -63.42 -31.26 72.37 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.716 1.207 . . . . 63.22 111.752 -173.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -60.37 -32.5 71.35 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.589 0.756 . . . . 74.14 111.805 176.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.9 mt -76.26 -41.34 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-N 115.38 -0.827 . . . . 75.44 109.356 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.7 -1.07 14.96 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.796 -1.093 . . . . 64.14 112.699 -178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 62.5 m -74.48 -29.87 61.61 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.33 0.652 . . . . 60.4 111.353 171.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.6 mtm -68.29 -30.11 69.04 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.824 0.45 . . . . 73.12 110.003 174.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.1 m -71.37 102.57 2.65 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.205 -0.907 . . . . 71.2 109.112 166.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.7 t -65.65 -31.51 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 N-CA-C 109.965 -0.383 . . . . 75.14 109.965 177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.8 m -64.46 -50.54 67.09 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 122.622 0.369 . . . . 61.14 111.009 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.451 ' O ' HG13 ' A' ' 31' ' ' ILE . 68.4 mt -65.23 -43.16 95.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 109.087 -0.708 . . . . 62.33 109.087 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 61.4 tttp -55.1 -52.23 63.89 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 124.354 1.034 . . . . 63.35 111.153 176.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -58.18 -36.83 73.63 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 123.575 0.75 . . . . 63.55 111.107 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 77.6 mtm -70.92 -38.55 72.93 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.807 -0.633 . . . . 74.33 110.987 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.543 HG21 ' HE2' ' A' ' 18' ' ' LYS . 81.5 mt -66.38 -40.07 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 122.865 0.466 . . . . 73.41 109.963 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 64.4 mm-40 -66.36 -42.05 88.59 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.924 0.49 . . . . 74.2 109.974 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.26 -40.53 81.89 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.471 1.108 . . . . 73.34 111.492 -176.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.6 mt -80.2 -18.63 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.871 0.868 . . . . 75.45 109.9 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.85 -63.65 2.15 Favored Glycine 0 C--N 1.343 0.951 0 N-CA-C 110.615 -0.994 . . . . 51.32 110.615 -176.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -136.23 127.84 28.85 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 107.83 -1.174 . . . . 71.25 107.83 173.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 p -74.46 76.39 1.93 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.276 0.63 . . . . 73.43 111.251 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -75.89 -36.62 59.41 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.133 0.973 . . . . 74.24 109.949 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.4 p -83.84 135.28 42.94 Favored Pre-proline 0 C--O 1.247 0.963 0 CA-C-N 115.008 -0.997 . . . . 74.3 109.716 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.572 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 31.6 Cg_exo -59.85 143.78 99.55 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.471 2.114 . . . . 54.35 111.088 171.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.2 mm -96.76 103.96 16.58 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 122.911 0.484 . . . . 74.54 110.274 -175.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.404 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 85.1 Cg_endo -82.12 111.25 2.14 Favored 'Trans proline' 0 C--N 1.373 1.816 0 C-N-CA 122.242 1.961 . . . . 75.35 111.783 175.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -89.27 96.8 0.8 Allowed Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 124.306 1.042 . . . . 72.21 109.645 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 39.0 Cg_endo -87.17 25.18 0.68 Allowed 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 123.038 2.492 . . . . 51.42 113.4 -170.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -125.02 -59.27 1.42 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.92 0.888 . . . . 71.1 110.057 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.38 126.73 37.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 116.12 -0.491 . . . . 73.11 110.553 -178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 p -74.58 166.89 22.8 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.965 0.906 . . . . 72.13 110.869 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.515 ' HB3' ' HB3' ' A' ' 10' ' ' ASP . 61.5 p -64.39 -46.36 83.66 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.405 0.682 . . . . 61.34 112.382 -173.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.4 p -60.1 -48.49 81.51 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.611 0.764 . . . . 70.4 111.116 -176.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.465 HG23 HD23 ' A' ' 91' ' ' LEU . 49.4 mm -67.54 -46.95 82.09 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 115.477 -0.783 . . . . 74.32 110.415 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.58 -35.3 80.05 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.339 0.656 . . . . 63.33 110.996 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -59.3 -51.27 70.65 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.889 0.876 . . . . 75.35 110.361 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -64.69 -49.51 70.63 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 114.809 -1.087 . . . . 72.54 111.283 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.1 -44.89 99.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 123.357 0.411 . . . . 71.03 110.532 -175.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.568 ' HB3' HD12 ' A' ' 16' ' ' ILE . 71.5 mt -68.66 -30.3 68.96 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.116 0.566 . . . . 63.53 112.012 178.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.62 -42.61 77.83 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.122 0.569 . . . . 61.31 109.621 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -68.57 -36.44 78.76 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.26 -0.882 . . . . 60.24 110.233 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.687 ' SG ' HD13 ' A' ' 100' ' ' ILE . 73.8 m -62.33 -40.38 96.17 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.83 0.452 . . . . 65.54 110.57 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 35.2 ttt180 -66.29 -42.39 88.41 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.988 -0.551 . . . . 72.14 109.78 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -54.49 -43.15 71.54 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.968 0.907 . . . . 71.14 111.213 174.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -74.44 -26.93 60.36 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.273 -0.876 . . . . 72.31 111.583 -177.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -80.2 -39.25 29.57 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.577 0.227 . . . . 74.23 110.872 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 13.7 mm100 -71.36 -38.18 71.59 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.424 0.69 . . . . 74.12 110.039 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -127.23 86.89 57.71 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.069 0.948 . . . . 73.35 108.539 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -77.64 70.46 6.9 Favored 'Trans proline' 0 C--N 1.375 1.937 0 C-N-CA 122.848 2.366 . . . . 44.04 111.915 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.45 125.06 25.82 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.57 -0.741 . . . . 34.4 111.578 177.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.41 -39.38 95.74 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.968 0.451 . . . . 74.32 113.445 -176.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.0 p -156.28 101.07 2.03 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.336 0.654 . . . . 61.44 109.802 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.27 1.22 57.34 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.962 -0.563 . . . . 54.51 112.9 176.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.4 tp -84.5 73.4 10.53 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.8 0.84 . . . . 63.3 109.519 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.1 t70 174.09 -53.36 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.819 1.648 . . . . 70.35 107.855 178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.76 -50.5 72.11 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 114.734 -1.121 . . . . 73.01 109.318 172.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.6 mt 60.11 84.6 0.2 Allowed Pre-proline 0 CA--C 1.551 1.007 0 O-C-N 124.98 1.425 . . . . 62.2 109.46 -178.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.0 138.28 47.32 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.562 2.175 . . . . 61.23 111.429 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -49.24 -45.5 29.7 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.84 3.027 . . . . 72.41 113.866 -176.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -58.16 -55.5 34.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 123.3 0.375 . . . . 73.33 110.646 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.83 -30.15 71.27 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.566 1.146 . . . . 75.41 111.113 -174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -72.94 -55.04 7.15 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.465 1.106 . . . . 74.42 110.96 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -72.63 -21.84 61.04 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.028 -0.987 . . . . 75.34 111.261 -174.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.419 ' HE2' HD21 ' A' ' 103' ' ' LEU . 59.3 t80 -57.51 -43.3 84.11 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.848 0.859 . . . . 75.24 110.739 174.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 73.6 m -74.43 -11.57 60.27 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.393 -0.822 . . . . 73.12 112.329 -176.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -78.7 79.05 5.13 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.32 0.648 . . . . 70.2 110.687 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -130.23 173.15 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 124.195 0.998 . . . . 71.13 109.121 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.15 160.89 20.26 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.784 0.434 . . . . 73.53 110.337 175.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -49.28 92.49 Favored Pre-proline 0 CA--C 1.565 1.537 0 CA-C-O 118.475 -0.774 . . . . 74.42 111.798 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.411 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 27.5 Cg_endo -60.11 -40.83 57.18 Favored 'Trans proline' 0 C--N 1.393 2.916 0 C-N-CA 121.499 1.466 . . . . 54.13 111.92 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.4 m -65.71 -30.63 71.33 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.847 0.859 . . . . 64.14 111.356 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 tt -70.98 -46.35 62.47 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.115 0.966 . . . . 72.01 108.595 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -62.06 -32.84 73.41 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.766 0.666 . . . . 73.14 110.906 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 40.7 mm-40 -64.25 -38.6 91.63 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.054 0.542 . . . . 74.35 111.438 175.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.465 HD23 HG23 ' A' ' 50' ' ' ILE . 87.4 mt -67.7 -36.89 81.47 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.931 0.492 . . . . 73.4 110.716 176.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.01 -46.39 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 C-N-CA 123.57 0.748 . . . . 64.43 109.813 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.81 -38.09 82.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.814 0.845 . . . . 55.3 111.159 -176.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.0 -41.17 71.29 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.501 0.72 . . . . 61.31 111.08 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -69.13 -35.09 76.02 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.029 -0.987 . . . . 74.52 111.049 177.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -74.59 -35.4 62.99 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.494 0.718 . . . . 73.22 109.924 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -65.52 -37.13 85.88 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 124.368 1.067 . . . . 74.21 111.05 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.5 mt -102.78 -7.48 21.59 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 115.755 -0.657 . . . . 74.5 112.11 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 64.96 30.98 11.65 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.617 1.167 . . . . 72.13 111.933 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.687 HD13 ' SG ' ' A' ' 58' ' ' CYS . 65.8 mt -74.98 83.87 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 123.61 0.764 . . . . 65.25 108.978 171.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 102' ' ' PRO . 0.7 OUTLIER -64.1 -40.67 55.71 Favored Pre-proline 0 CA--C 1.559 1.297 0 CA-C-O 117.841 -1.076 . . . . 74.12 112.494 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 101' ' ' LYS . 4.4 Cg_endo -46.29 -49.28 11.85 Favored 'Trans proline' 0 C--N 1.396 3.047 0 C-N-CA 122.593 2.196 . . . . 74.22 114.131 175.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.469 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.3 tm? -75.93 -44.95 37.71 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.779 0.432 . . . . 75.24 109.991 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.691 HD21 HD21 ' B' ' 104' ' ' LEU . 54.0 tp -53.25 -42.47 66.48 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.364 1.066 . . . . 75.43 112.028 -177.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.72 -51.24 63.43 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.695 0.798 . . . . 54.42 110.069 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.2 t -57.8 -42.36 81.83 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 O-C-N 124.179 0.924 . . . . 70.11 111.085 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.5 m -73.11 -32.65 65.09 Favored 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 123.884 0.874 . . . . 75.43 111.375 -176.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 76.7 m -75.72 -28.97 58.78 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.314 0.646 . . . . 52.24 110.689 175.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.26 -30.36 62.09 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.163 0.585 . . . . 63.22 110.325 174.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.9 m -60.56 -49.79 76.15 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.102 0.561 . . . . 53.03 110.9 175.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.5 -32.21 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 122.572 0.349 . . . . 65.21 111.6 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.43 93.76 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.659 0.599 . . . . 73.44 111.137 176.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -65.23 -32.23 73.8 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.493 0.717 . . . . 61.12 111.301 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 44.7 mtm -67.36 -36.14 80.78 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 123.5 0.5 . . . . 62.14 111.286 -178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.8 pt -94.03 -13.59 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 122.662 0.385 . . . . 72.33 111.522 177.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -80.71 91.67 5.91 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 107.899 -1.148 . . . . 70.24 107.899 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.248 0 CA-C-O 118.942 -0.921 . . . . 64.03 111.386 -179.785 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.236 0.065 . . . . 35.24 110.843 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 49.4 mt -110.38 116.55 31.64 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.445 -0.576 . . . . 62.53 109.445 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.8 m -88.1 107.61 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 CA-C-O 121.744 0.783 . . . . 72.34 108.919 173.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 93.7 mttt -75.94 108.51 8.87 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.882 -1.054 . . . . 73.43 109.912 -177.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 68.8 mt -100.43 92.88 5.36 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 123.582 0.753 . . . . 63.34 109.948 -178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.503 ' HG3' HG22 ' B' ' 13' ' ' VAL . 2.9 mp0 -69.52 109.29 4.18 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 108.711 -0.848 . . . . 63.05 108.711 170.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.9 p -62.3 -178.17 0.17 Allowed 'General case' 0 CA--C 1.553 1.083 0 CA-C-O 121.396 0.617 . . . . 53.41 111.354 176.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 14.0 t -66.64 -18.12 65.2 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 123.065 0.546 . . . . 70.4 110.467 173.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.53 ' HB3' ' HB3' ' B' ' 48' ' ' SER . 35.4 t70 -96.14 8.17 44.5 Favored 'General case' 0 CA--C 1.563 1.478 0 C-N-CA 124.513 1.125 . . . . 72.04 110.487 175.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 67.81 9.68 7.27 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 125.743 1.617 . . . . 73.44 113.669 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 10.4 mmpt? -73.25 122.13 21.45 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.434 -0.58 . . . . 70.01 109.434 178.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.503 HG22 ' HG3' ' B' ' 7' ' ' GLU . 42.7 t -81.0 100.35 5.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 124.197 0.999 . . . . 61.43 109.929 -174.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -92.57 88.35 6.29 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.454 0.702 . . . . 72.1 109.548 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.556 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 27.6 mt-10 -75.46 76.07 2.51 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.693 0.797 . . . . 73.12 109.232 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.569 HD12 ' HB3' ' B' ' 55' ' ' LEU . 12.4 tt -92.44 149.22 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-N 115.774 -0.648 . . . . 74.31 109.431 -175.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -66.73 135.48 54.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.229 0.612 . . . . 61.52 110.014 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.536 ' HE2' HG21 ' B' ' 31' ' ' ILE . 56.1 tttm -63.54 -30.68 71.76 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.434 1.094 . . . . 73.25 111.795 -173.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.15 -32.16 71.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.456 0.702 . . . . 52.33 111.987 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 40.1 mt -76.32 -41.36 36.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 123.8 0.84 . . . . 75.04 109.43 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.49 -1.15 14.77 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.789 -1.096 . . . . 73.15 112.788 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 67.3 m -74.39 -29.82 61.69 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.425 0.69 . . . . 65.32 111.408 171.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 61.2 mtm -68.29 -30.18 69.13 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 122.975 0.51 . . . . 75.33 110.045 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.6 m -71.61 102.75 2.83 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.177 -0.92 . . . . 54.11 108.982 166.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.9 -31.9 55.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 N-CA-C 109.919 -0.4 . . . . 75.03 109.919 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 97.9 m -64.24 -50.05 69.52 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.578 0.351 . . . . 61.24 111.003 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.441 ' O ' HG13 ' B' ' 31' ' ' ILE . 68.5 mt -65.41 -43.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 109.263 -0.643 . . . . 73.42 109.263 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' B' ' 32' ' ' GLU . 61.2 tttp -55.11 -51.97 64.72 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 124.444 1.09 . . . . 74.44 111.103 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -58.43 -36.6 73.88 Favored 'General case' 0 N--CA 1.49 1.568 0 C-N-CA 123.613 0.765 . . . . 74.24 111.065 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 76.1 mtm -71.11 -38.82 72.32 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.764 0.665 . . . . 72.24 110.725 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.536 HG21 ' HE2' ' B' ' 18' ' ' LYS . 80.7 mt -65.97 -39.58 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 122.767 0.427 . . . . 75.25 110.058 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' B' ' 28' ' ' LYS . 60.7 mm-40 -66.59 -41.53 88.34 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.011 0.524 . . . . 75.01 110.249 179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -68.99 -42.09 76.96 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.178 -0.919 . . . . 73.12 110.973 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 78.8 mt -77.63 -19.3 14.0 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 123.871 0.868 . . . . 61.22 110.111 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.93 -63.99 2.09 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 110.384 -1.086 . . . . 45.03 110.384 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -136.44 129.37 31.04 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 107.833 -1.173 . . . . 64.11 107.833 172.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 22.9 p -75.01 79.29 2.2 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.271 0.629 . . . . 72.33 110.631 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -77.64 -37.93 48.99 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.83 0.852 . . . . 71.53 109.658 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 62.3 p -81.67 134.28 50.99 Favored Pre-proline 0 C--O 1.245 0.856 0 CA-C-N 115.211 -0.904 . . . . 70.42 109.804 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.59 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 33.1 Cg_exo -59.35 144.63 99.34 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.376 2.051 . . . . 70.34 110.727 171.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -97.28 105.5 25.5 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 122.582 0.353 . . . . 72.05 110.089 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -82.9 113.0 2.13 Favored 'Trans proline' 0 C--N 1.371 1.734 0 C-N-CA 122.125 1.883 . . . . 73.02 111.412 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 65.2 mt -90.8 96.3 0.94 Allowed Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 124.318 1.047 . . . . 70.5 109.613 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -88.37 29.77 0.45 Allowed 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 123.253 2.635 . . . . 52.03 112.889 -171.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -128.19 -59.91 1.15 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.855 0.862 . . . . 63.45 109.573 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.47 127.15 37.67 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.935 -0.575 . . . . 74.5 110.563 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p -74.98 166.71 23.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.053 0.941 . . . . 71.54 110.696 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.53 ' HB3' ' HB3' ' B' ' 10' ' ' ASP . 50.9 p -63.54 -47.55 81.16 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.569 0.748 . . . . 63.22 112.515 -173.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 38.8 p -59.56 -49.64 77.0 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.985 0.914 . . . . 73.23 111.139 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.454 HG23 HD23 ' B' ' 91' ' ' LEU . 49.0 mm -65.97 -47.06 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 115.656 -0.702 . . . . 70.22 110.33 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.84 -35.17 79.74 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.312 0.645 . . . . 61.23 111.114 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.75 -51.23 70.66 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.852 0.861 . . . . 70.32 110.375 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.13 -49.7 71.13 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.92 -1.036 . . . . 74.54 111.314 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.09 -45.38 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 O-C-N 123.394 0.434 . . . . 73.24 110.455 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.569 ' HB3' HD12 ' B' ' 16' ' ' ILE . 70.4 mt -67.93 -30.89 70.32 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.144 0.578 . . . . 65.21 112.148 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.79 -42.18 77.74 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 109.624 -0.51 . . . . 73.3 109.624 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -68.31 -36.51 79.42 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 115.345 -0.843 . . . . 54.22 110.161 176.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.698 ' SG ' HD13 ' B' ' 100' ' ' ILE . 73.4 m -62.41 -40.71 97.41 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.861 0.464 . . . . 54.44 110.513 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 36.2 ttt180 -66.04 -42.27 89.8 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.145 -0.48 . . . . 73.14 109.857 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -54.67 -43.12 72.15 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.034 0.934 . . . . 71.13 111.306 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -74.22 -27.43 60.78 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.175 -0.92 . . . . 70.41 111.515 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -78.99 -39.59 33.77 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.54 0.209 . . . . 75.2 110.633 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 12.8 mm100 -71.34 -38.42 71.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.651 0.78 . . . . 72.34 110.198 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -127.01 87.32 56.95 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 123.918 0.887 . . . . 75.3 108.645 178.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -77.92 71.7 6.49 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.931 2.421 . . . . 74.53 111.758 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.72 125.2 22.45 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 115.177 -0.92 . . . . 52.01 111.719 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.92 -39.64 96.65 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 123.913 0.419 . . . . 65.32 113.478 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 40.5 p -157.42 99.96 1.79 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.391 0.677 . . . . 65.42 110.076 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -97.64 1.21 59.88 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 116.154 -0.476 . . . . 75.44 112.776 175.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 54.0 tp -84.07 72.96 10.44 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 123.691 0.796 . . . . 71.23 109.753 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 24.7 t70 174.49 -53.91 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.752 1.621 . . . . 70.4 107.739 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.33 -50.39 71.83 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.308 -1.314 . . . . 73.14 109.715 172.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 59.4 mt 59.78 84.66 0.2 Allowed Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 124.883 1.273 . . . . 61.05 109.74 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.88 138.18 47.53 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.564 2.176 . . . . 72.33 111.455 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -49.15 -44.47 33.19 Favored 'Trans proline' 0 C--N 1.378 2.117 0 C-N-CA 124.109 3.206 . . . . 62.54 113.9 -176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -59.28 -55.55 33.36 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 123.265 0.353 . . . . 74.04 111.024 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.6 -29.93 70.97 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.479 1.112 . . . . 35.14 111.063 -175.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -73.42 -55.01 6.92 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.493 1.117 . . . . 73.42 110.886 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -72.64 -21.56 61.08 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.101 -0.954 . . . . 72.24 111.243 -174.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.406 ' HE2' HD21 ' B' ' 103' ' ' LEU . 58.0 t80 -57.27 -43.69 83.28 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.948 0.899 . . . . 74.11 110.604 173.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 70.5 m -75.01 -11.07 60.02 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.842 0.857 . . . . 74.54 112.275 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -78.73 79.94 5.12 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.187 0.595 . . . . 72.45 110.491 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 20.8 m -132.23 170.28 20.22 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 C-N-CA 124.409 1.083 . . . . 63.21 108.998 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.68 160.32 14.4 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.006 0.522 . . . . 71.13 110.404 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -49.48 91.05 Favored Pre-proline 0 CA--C 1.562 1.416 0 CA-C-O 118.476 -0.773 . . . . 74.43 111.822 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 27.4 Cg_endo -60.09 -40.36 61.51 Favored 'Trans proline' 0 C--N 1.392 2.838 0 CA-C-N 120.953 1.376 . . . . 73.04 111.941 173.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 10.2 m -65.69 -30.62 71.34 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.693 0.797 . . . . 74.41 111.295 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 tt -71.24 -46.41 61.13 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.273 1.029 . . . . 62.3 108.509 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -61.94 -33.06 73.58 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.819 0.699 . . . . 73.11 110.83 175.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 29.6 mm-40 -64.05 -38.66 91.87 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.956 0.502 . . . . 73.45 111.427 175.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.454 HD23 HG23 ' B' ' 50' ' ' ILE . 87.3 mt -67.54 -36.82 81.73 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.037 0.535 . . . . 72.52 110.776 176.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.16 -46.21 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.538 0.735 . . . . 63.11 109.778 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.91 -38.12 82.55 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.849 0.86 . . . . 62.22 111.074 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.08 -41.44 70.68 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.577 0.751 . . . . 62.33 111.057 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.485 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -68.74 -35.24 76.85 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.074 -0.966 . . . . 62.14 110.975 177.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . 0.413 ' ND2' ' HG ' ' A' ' 104' ' ' LEU . 41.6 t-20 -74.22 -35.69 63.89 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.475 0.71 . . . . 55.2 110.001 176.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -65.95 -35.57 80.96 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.233 1.013 . . . . 73.54 111.067 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 84.9 mt -103.87 -7.3 20.58 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.094 0.558 . . . . 72.54 112.448 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 64.92 30.83 11.81 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.585 1.154 . . . . 70.4 111.699 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.698 HD13 ' SG ' ' B' ' 58' ' ' CYS . 65.8 mt -74.93 83.81 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 109.006 -0.739 . . . . 74.4 109.006 171.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.484 ' N ' ' HD2' ' B' ' 102' ' ' PRO . 0.7 OUTLIER -64.21 -40.4 52.3 Favored Pre-proline 0 CA--C 1.559 1.321 0 CA-C-O 117.747 -1.12 . . . . 65.44 112.577 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' B' ' 101' ' ' LYS . 4.2 Cg_endo -46.14 -49.51 11.31 Favored 'Trans proline' 0 C--N 1.395 3.026 0 C-N-CA 122.472 2.114 . . . . 73.23 114.215 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.485 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.3 tm? -75.87 -44.97 38.08 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 122.743 0.417 . . . . 73.23 109.974 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.691 HD21 HD21 ' A' ' 104' ' ' LEU . 54.2 tp -53.29 -42.67 66.82 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.384 1.074 . . . . 75.55 112.041 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -64.6 -51.12 64.37 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.899 0.749 . . . . 70.01 110.05 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 94.1 t -57.6 -42.7 81.86 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 O-C-N 124.079 0.862 . . . . 54.12 111.031 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 21.2 m -72.95 -32.64 65.38 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.056 0.942 . . . . 62.51 111.318 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 78.4 m -75.85 -28.71 58.32 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.319 0.648 . . . . 65.33 110.741 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.51 -30.27 61.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.178 0.591 . . . . 64.13 110.306 174.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 55.3 m -60.43 -50.02 75.26 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.193 0.597 . . . . 71.24 110.749 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 27.3 m -69.68 -32.02 50.81 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 C-N-CA 122.602 0.361 . . . . 72.21 111.437 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.8 -39.58 94.69 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.071 0.548 . . . . 53.14 111.048 176.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.62 -33.11 75.16 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.663 0.785 . . . . 75.31 111.252 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 53.8 mtm -66.59 -36.03 81.64 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.836 0.455 . . . . 71.53 111.679 -178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 39.1 pt -94.28 -13.1 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 122.738 0.415 . . . . 64.52 111.267 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -80.92 91.48 6.02 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 107.807 -1.183 . . . . 64.43 107.807 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.382 0 CA-C-O 119.01 -0.883 . . . . 54.4 111.365 -179.891 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 110.543 -0.169 . . . . 71.21 110.543 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.7 mt -112.79 119.08 36.79 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.31 0.644 . . . . 74.14 110.079 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.2 m -93.03 137.46 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 N-CA-C 108.948 -0.76 . . . . 64.41 108.948 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.58 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 92.9 mttt -94.32 121.52 35.93 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 108.538 -0.912 . . . . 75.44 108.538 -177.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.668 HD13 HD13 ' A' ' 27' ' ' ILE . 80.1 mt -120.21 100.67 7.32 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.978 0.511 . . . . 72.01 109.859 -176.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 2.7 mp0 -75.05 144.46 42.99 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.097 0.475 . . . . 74.33 109.962 173.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 p -82.83 -176.68 6.42 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.422 -0.808 . . . . 71.11 110.215 171.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -63.69 -27.4 69.19 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.535 0.734 . . . . 61.24 110.236 169.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -83.78 1.78 41.21 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.392 1.077 . . . . 64.25 111.367 176.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 70.92 13.5 7.02 Favored 'General case' 0 N--CA 1.491 1.582 0 C-N-CA 125.231 1.412 . . . . 75.15 113.253 171.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 7' ' ' GLU . 45.1 mmtm -77.53 126.07 30.33 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.65 -0.5 . . . . 73.51 109.65 176.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.2 t -72.44 122.63 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.818 0.847 . . . . 71.12 109.611 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.486 ' CD1' HD12 ' A' ' 51' ' ' LEU . 95.6 m-85 -117.09 91.6 3.62 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.624 0.77 . . . . 74.41 108.944 174.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.576 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 43.5 mt-10 -72.19 103.53 3.37 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.214 -0.903 . . . . 71.44 109.651 176.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' A' ' 55' ' ' LEU . 14.5 tt -119.37 147.68 22.81 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 C-N-CA 124.497 1.119 . . . . 75.31 108.079 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HB3' HG13 ' A' ' 20' ' ' ILE . 32.6 tt0 -66.04 136.95 56.71 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.381 -0.599 . . . . 73.12 109.381 178.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HG3' HD13 ' A' ' 31' ' ' ILE . 38.2 ttpt -59.27 -34.13 71.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.706 0.802 . . . . 64.42 111.474 -174.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -59.95 -37.67 80.23 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.112 0.965 . . . . 64.13 111.614 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.506 HG13 ' HB3' ' A' ' 17' ' ' GLU . 10.2 mt -79.76 -29.97 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 C-N-CA 123.123 0.569 . . . . 74.12 109.998 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.21 -18.59 60.74 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.528 0.731 . . . . 71.11 111.596 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 94.5 m -73.14 -22.45 60.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.506 0.722 . . . . 63.12 111.604 173.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 85.6 mtp -63.04 -32.3 73.64 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.58 0.705 . . . . 73.45 110.433 173.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.545 ' HA ' HG12 ' A' ' 100' ' ' ILE . 35.9 t -81.92 111.26 17.94 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 114.623 -1.172 . . . . 53.11 108.204 170.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' ' 99' ' ' ASP . 46.5 t -64.91 -39.25 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 123.126 0.266 . . . . 73.34 110.764 -176.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' ' 30' ' ' MET . 98.4 m -60.65 -51.56 68.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.183 0.593 . . . . 75.13 111.757 177.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.668 HD13 HD13 ' A' ' 6' ' ' LEU . 82.2 mt -69.43 -35.21 65.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 123.153 0.581 . . . . 73.43 110.405 -177.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -58.38 -46.89 85.46 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.102 0.961 . . . . 71.11 110.067 173.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -63.87 -35.65 81.34 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.87 0.868 . . . . 74.41 111.187 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 26' ' ' THR . 25.3 mmt -63.57 -47.0 83.31 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.007 0.523 . . . . 65.54 110.697 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.473 HD13 ' HG3' ' A' ' 18' ' ' LYS . 77.5 mt -66.04 -43.68 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.797 0.839 . . . . 72.22 110.54 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -71.58 -29.25 64.5 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.256 0.622 . . . . 54.12 111.901 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.6 -43.38 72.91 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.561 0.744 . . . . 72.25 110.614 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.4 mt -75.45 -21.38 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-N 114.96 -1.018 . . . . 74.1 109.734 173.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.73 -74.76 2.47 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 110.053 -1.219 . . . . 63.03 110.053 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.21 93.86 4.48 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 108.182 -1.044 . . . . 70.43 108.182 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -78.27 82.98 4.54 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-O 121.345 0.593 . . . . 45.32 110.155 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -73.41 -32.44 64.43 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.149 -0.932 . . . . 64.54 109.35 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.2 m -73.99 138.05 76.11 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 115.157 -0.929 . . . . 72.31 109.046 176.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.58 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.1 Cg_endo -68.88 143.55 55.61 Favored 'Trans proline' 0 C--N 1.361 1.204 0 C-N-CA 121.94 1.76 . . . . 71.53 110.957 175.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.6 mm -96.95 105.62 25.09 Favored Pre-proline 0 CA--C 1.547 0.849 0 N-CA-C 109.35 -0.611 . . . . 74.22 109.35 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -81.33 145.68 15.17 Favored 'Trans proline' 0 C--N 1.376 1.988 0 C-N-CA 122.029 1.82 . . . . 63.13 111.329 173.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' HB3' ' HE1' ' A' ' 97' ' ' TYR . 3.0 mm? -117.37 87.82 26.08 Favored Pre-proline 0 CA--C 1.552 1.05 0 N-CA-C 108.29 -1.004 . . . . 74.24 108.29 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -80.11 63.8 8.79 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 123.339 2.693 . . . . 71.25 112.553 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -159.23 -58.55 0.07 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.331 1.052 . . . . 73.12 109.137 -177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.425 HG11 HD23 ' A' ' 51' ' ' LEU . 7.2 p -84.32 130.14 36.46 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 C-N-CA 123.324 0.65 . . . . 73.32 110.696 -177.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 p -72.92 168.45 18.93 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.864 0.866 . . . . 65.15 111.167 -177.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 p -62.18 -47.58 83.85 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 112.965 0.728 . . . . 74.1 112.965 -173.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 35.5 p -65.25 -42.66 93.06 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.524 0.73 . . . . 71.41 111.363 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.478 HG23 HD23 ' A' ' 91' ' ' LEU . 51.2 mm -72.18 -42.76 66.73 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 123.157 0.583 . . . . 72.42 110.527 -177.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.486 HD12 ' CD1' ' A' ' 14' ' ' PHE . 3.2 tm? -63.19 -37.53 87.59 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.972 0.909 . . . . 61.41 109.867 177.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.49 -51.17 71.02 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 123.951 0.782 . . . . 72.45 109.737 176.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.476 ' HE2' HG11 ' A' ' 83' ' ' VAL . 26.8 mtpp -59.09 -52.53 65.35 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.223 0.952 . . . . 73.01 111.507 -177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.471 HG12 HD12 ' A' ' 100' ' ' ILE . 97.4 t -60.94 -42.12 91.61 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.09 0 C-N-CA 123.152 0.581 . . . . 71.41 111.137 -174.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.456 ' HB3' HD12 ' A' ' 16' ' ' ILE . 43.9 mt -75.17 -28.51 60.09 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 112.52 0.563 . . . . 74.02 112.52 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.95 -32.89 65.55 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.173 0.589 . . . . 74.41 110.735 -178.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.92 -41.85 99.6 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.444 0.698 . . . . 75.44 109.758 170.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 75.7 m -64.02 -35.8 81.91 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 115.169 -0.923 . . . . 71.32 111.255 178.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.65 -44.57 95.93 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.36 0.664 . . . . 55.33 110.434 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -60.14 -47.69 84.87 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.125 -0.943 . . . . 64.15 111.195 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -77.2 -18.01 58.07 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 116.071 -0.513 . . . . 74.22 111.134 -175.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.7 t-80 -69.08 -48.44 62.67 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.874 0.87 . . . . 71.35 110.863 173.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -90.89 -18.85 24.09 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.061 -0.972 . . . . 72.35 110.905 -172.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -131.75 88.07 43.47 Favored Pre-proline 0 C--O 1.242 0.705 0 N-CA-C 107.809 -1.182 . . . . 73.15 107.809 175.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.6 89.51 0.28 Allowed 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.173 1.915 . . . . 61.11 110.764 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.72 -177.41 51.37 Favored Glycine 0 C--N 1.346 1.09 0 CA-C-N 115.093 -0.958 . . . . 74.21 113.897 -176.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 132.66 -40.81 1.56 Allowed Glycine 0 C--N 1.342 0.896 0 N-CA-C 110.735 -0.946 . . . . 72.22 110.735 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.5 m -75.35 84.17 2.48 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 121.66 0.743 . . . . 54.31 109.124 173.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.16 57.29 0.03 OUTLIER Glycine 0 C--O 1.24 0.486 0 N-CA-C 109.827 -1.309 . . . . 34.31 109.827 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.79 119.69 7.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.647 0.779 . . . . 65.2 110.655 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.9 t70 67.78 1.11 2.53 Favored 'General case' 0 CA--C 1.565 1.532 0 C-N-CA 125.042 1.337 . . . . 63.35 112.722 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -106.02 90.59 3.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.062 0.945 . . . . 72.33 109.418 -176.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.0 mt -91.35 119.22 68.73 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 123.476 0.71 . . . . 73.41 109.178 179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.39 151.8 82.37 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.519 2.146 . . . . 75.22 111.706 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -45.42 -38.61 15.93 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 124.323 3.349 . . . . 64.0 115.422 -177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.9 -57.6 12.17 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 117.694 0.224 . . . . 64.24 110.879 178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -66.64 -27.92 68.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.84 0.856 . . . . 64.32 111.026 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.52 -55.97 8.68 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.225 0.61 . . . . 72.43 110.289 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.49 -24.31 64.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.717 0.807 . . . . 73.33 111.536 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.458 ' HE1' HD21 ' A' ' 103' ' ' LEU . 54.5 t80 -61.64 -51.93 66.44 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.691 0.796 . . . . 54.42 110.151 175.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 80.8 m -82.69 -26.8 31.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.224 -0.898 . . . . 65.14 111.177 -175.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -80.39 84.63 5.99 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.078 -0.712 . . . . 75.41 109.078 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.476 HG11 ' HE2' ' A' ' 53' ' ' LYS . 16.1 m -124.12 -178.8 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.315 1.046 . . . . 75.21 109.482 178.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -65.13 154.28 38.42 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.274 0.63 . . . . 73.54 110.21 -176.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.555 ' HA ' HD12 ' A' ' 88' ' ' LEU . 54.2 tp60 -55.06 -50.11 88.34 Favored Pre-proline 0 CA--C 1.566 1.575 0 N-CA-C 113.438 0.903 . . . . 74.33 113.438 -171.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.478 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 34.4 Cg_exo -63.02 -37.04 55.74 Favored 'Trans proline' 0 C--N 1.387 2.561 0 C-N-CA 122.162 1.908 . . . . 73.13 113.0 172.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.0 m -63.26 -31.51 72.67 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.808 0.843 . . . . 61.5 111.202 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 85' ' ' GLN . 61.9 mt -60.54 -48.82 80.07 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.012 0.925 . . . . 70.43 110.767 173.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.439 ' CD2' HD13 ' B' ' 115' ' ' ILE . 56.6 m-85 -67.1 -30.97 71.14 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.682 -0.69 . . . . 75.21 111.293 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -64.6 -38.35 90.69 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.833 0.453 . . . . 74.14 111.34 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.478 HD23 HG23 ' A' ' 50' ' ' ILE . 97.4 mt -70.26 -34.45 72.83 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.063 0.545 . . . . 72.33 110.905 176.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 80.6 mt -66.7 -45.36 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.303 0.641 . . . . 73.12 110.178 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.75 -41.37 95.96 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.891 0.876 . . . . 71.52 110.793 179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.59 -42.2 74.76 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.481 0.713 . . . . 55.35 111.489 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.507 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.53 -29.06 63.25 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.912 0.485 . . . . 74.05 111.524 -178.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -70.38 -44.35 68.21 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.935 0.894 . . . . 35.24 109.539 173.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.45 ' HE1' ' HB3' ' A' ' 43' ' ' LEU . 73.9 t80 -70.18 -36.73 74.87 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 124.578 1.151 . . . . 73.11 111.96 -177.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 27' ' ' ILE . 96.5 mt -92.0 -7.67 48.22 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.618 0.767 . . . . 61.14 110.8 179.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.517 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER 66.4 22.61 10.73 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 124.538 1.135 . . . . 73.2 111.037 175.153 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.545 HG12 ' HA ' ' A' ' 24' ' ' SER . 33.6 mt -83.65 85.29 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 108.543 -0.91 . . . . 75.23 108.543 177.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -64.06 -37.96 31.33 Favored Pre-proline 0 CA--C 1.557 1.245 0 CA-C-N 114.238 -1.346 . . . . 73.23 112.804 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.446 ' O ' HG23 ' A' ' 106' ' ' VAL . 71.2 Cg_exo -47.85 -48.01 17.23 Favored 'Trans proline' 0 C--N 1.399 3.205 0 C-N-CA 122.362 2.042 . . . . 70.43 113.88 169.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.507 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.7 tm? -76.51 -41.21 47.74 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 123.175 0.59 . . . . 62.11 110.068 -178.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.542 HD21 HD21 ' B' ' 104' ' ' LEU . 64.0 tp -56.64 -43.93 80.78 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.354 1.062 . . . . 71.32 111.047 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.0 -48.48 78.63 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.135 0.897 . . . . 72.3 110.356 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 102' ' ' PRO . 87.0 t -60.2 -45.22 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.257 0.623 . . . . 74.31 111.216 -178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.1 m -68.64 -37.92 80.09 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 123.118 0.567 . . . . 53.32 111.386 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 82.8 m -67.79 -31.23 70.97 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.237 0.615 . . . . 71.13 110.919 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.33 -36.65 61.01 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.077 0.551 . . . . 75.33 110.481 175.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 85.5 m -64.6 -46.96 80.42 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.077 0.551 . . . . 45.33 110.957 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.0 m -67.28 -33.09 60.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.932 -0.576 . . . . 62.33 110.863 178.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.41 -31.3 67.09 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 123.199 0.6 . . . . 63.23 110.966 175.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.88 -36.91 83.38 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.036 0.534 . . . . 70.15 111.219 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 38.4 mtm -62.16 -34.33 76.19 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.576 0.75 . . . . 74.42 111.793 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 24.5 pt -94.75 -35.19 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 116.089 -0.505 . . . . 73.33 111.061 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 173.11 88.89 0.0 OUTLIER 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.699 1.599 . . . . 73.1 109.008 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 CA-C-O 119.431 -0.65 . . . . 63.14 112.868 169.107 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.294 -0.261 . . . . 31.42 110.294 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 75.4 mt -112.25 118.76 36.19 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.21 0.604 . . . . 73.2 110.105 -178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.1 m -93.08 137.83 21.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 109.066 -0.716 . . . . 74.53 109.066 171.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.595 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 92.2 mttt -95.09 121.85 37.16 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 108.658 -0.868 . . . . 61.24 108.658 -176.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.678 HD13 HD13 ' B' ' 27' ' ' ILE . 79.0 mt -120.62 100.75 7.31 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.008 0.523 . . . . 74.3 109.702 -175.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' B' ' 12' ' ' LYS . 1.7 mp0 -75.51 144.58 41.92 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.02 0.438 . . . . 71.42 109.849 173.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 33.9 p -83.11 -176.53 6.38 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.415 -0.811 . . . . 62.05 110.15 172.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.9 t -63.28 -28.2 69.86 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.567 0.747 . . . . 71.22 110.143 169.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.98 3.74 32.92 Favored 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 124.578 1.151 . . . . 73.14 111.198 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 68.65 14.29 9.0 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 125.13 1.372 . . . . 74.31 113.415 170.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' B' ' 7' ' ' GLU . 45.7 mmtm -77.97 126.9 31.52 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.785 0.434 . . . . 71.13 109.91 175.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 47.2 t -74.27 120.2 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.782 0.833 . . . . 74.45 110.003 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.48 ' CD1' HD12 ' B' ' 51' ' ' LEU . 96.6 m-85 -114.7 90.96 3.47 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.739 0.816 . . . . 75.33 109.067 174.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.575 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 41.3 mt-10 -71.61 104.7 3.4 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-N 115.169 -0.923 . . . . 70.11 109.279 176.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.447 HD12 ' HB3' ' B' ' 55' ' ' LEU . 14.9 tt -120.03 147.61 23.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 124.781 1.232 . . . . 60.41 108.345 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.499 ' HB3' HG13 ' B' ' 20' ' ' ILE . 31.9 tt0 -66.01 136.97 56.76 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 109.361 -0.607 . . . . 75.43 109.361 177.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.478 ' HG3' HD13 ' B' ' 31' ' ' ILE . 38.1 ttpt -59.45 -34.02 72.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.774 0.829 . . . . 73.14 111.59 -175.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -60.07 -36.81 78.18 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.238 1.015 . . . . 34.32 111.566 175.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.499 HG13 ' HB3' ' B' ' 17' ' ' GLU . 9.5 mt -80.94 -30.15 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 123.104 0.562 . . . . 65.03 110.055 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.67 -19.37 60.85 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.585 0.754 . . . . 72.32 111.414 177.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 93.0 m -73.01 -22.5 60.65 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.587 0.755 . . . . 74.53 111.519 173.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 83.1 mtp -62.89 -32.62 73.92 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 121.623 0.725 . . . . 71.32 110.284 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.568 ' HA ' HG12 ' B' ' 100' ' ' ILE . 37.5 t -81.55 112.24 18.59 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.027 -0.988 . . . . 75.02 108.413 171.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' B' ' 99' ' ' ASP . 41.9 t -64.85 -39.52 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.05 0.386 . . . . 62.22 110.765 -176.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' B' ' 30' ' ' MET . 97.2 m -60.96 -51.94 67.13 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.298 0.639 . . . . 74.54 111.44 178.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.678 HD13 HD13 ' B' ' 6' ' ' LEU . 82.4 mt -68.94 -35.47 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 123.25 0.62 . . . . 73.11 110.44 -177.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -58.34 -47.21 84.49 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.181 0.992 . . . . 75.21 110.192 173.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.39 -35.4 80.27 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.914 0.886 . . . . 73.3 111.183 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' B' ' 26' ' ' THR . 24.8 mmt -63.67 -47.61 80.56 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.828 0.451 . . . . 40.24 110.486 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.478 HD13 ' HG3' ' B' ' 18' ' ' LYS . 78.0 mt -65.83 -43.15 93.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 115.367 -0.833 . . . . 75.32 110.701 -177.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -71.79 -30.35 65.45 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.603 0.761 . . . . 74.05 111.878 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.45 -44.85 73.98 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.332 0.653 . . . . 60.43 110.623 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 64.2 mt -73.72 -21.87 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.927 0 CA-C-N 115.021 -0.991 . . . . 75.54 109.828 173.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.89 -73.96 2.56 Favored Glycine 0 C--N 1.347 1.157 0 N-CA-C 109.912 -1.275 . . . . 64.34 109.912 -175.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -115.75 96.67 5.72 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.9 -1.148 . . . . 75.53 107.9 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.413 ' HB2' ' HA ' ' B' ' 31' ' ' ILE . 26.3 t -79.79 82.04 5.95 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.009 0.433 . . . . 55.54 110.05 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.83 -32.42 65.49 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.513 -0.767 . . . . 71.53 109.143 173.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 43.4 m -74.22 138.81 75.34 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 114.92 -1.036 . . . . 61.33 109.091 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.595 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 59.2 Cg_endo -69.57 143.6 52.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 C-N-CA 122.031 1.821 . . . . 65.42 111.258 174.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -97.19 105.17 22.89 Favored Pre-proline 0 CA--C 1.547 0.846 0 N-CA-C 109.479 -0.563 . . . . 71.43 109.479 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -80.82 145.86 16.18 Favored 'Trans proline' 0 C--N 1.375 1.949 0 C-N-CA 122.184 1.922 . . . . 60.21 111.17 173.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.465 ' HB3' ' HE1' ' B' ' 97' ' ' TYR . 3.0 mm? -117.54 87.91 27.31 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 124.284 1.034 . . . . 63.05 108.318 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -80.45 63.99 8.83 Favored 'Trans proline' 0 C--N 1.38 2.236 0 C-N-CA 123.337 2.691 . . . . 74.32 112.384 -175.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -158.37 -60.07 0.08 Allowed 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 114.868 -1.06 . . . . 72.3 108.862 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.44 HG11 HD23 ' B' ' 51' ' ' LEU . 6.9 p -83.28 130.43 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 CA-C-N 115.515 -0.766 . . . . 74.32 110.704 -176.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 76.0 p -73.3 168.5 19.05 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.781 0.832 . . . . 73.42 111.188 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.8 p -62.72 -46.58 87.44 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.907 0.706 . . . . 75.55 112.907 -172.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 39.4 p -65.41 -43.28 91.09 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.668 0.787 . . . . 64.55 111.525 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.481 HG23 HD23 ' B' ' 91' ' ' LEU . 51.1 mm -71.51 -42.85 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 115.908 -0.587 . . . . 71.32 110.572 -177.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.48 HD12 ' CD1' ' B' ' 14' ' ' PHE . 3.2 tm? -63.23 -37.56 87.71 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.921 0.888 . . . . 64.44 109.771 177.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -58.92 -51.79 68.53 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.927 0.767 . . . . 44.21 109.967 176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.458 ' HE2' HG11 ' B' ' 83' ' ' VAL . 26.9 mtpp -58.83 -52.49 65.49 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.605 1.191 . . . . 74.02 111.595 -177.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.474 HG12 HD12 ' B' ' 100' ' ' ILE . 97.5 t -61.04 -41.88 90.95 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 123.079 0.552 . . . . 73.45 110.971 -174.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.447 ' HB3' HD12 ' B' ' 16' ' ' ILE . 43.2 mt -75.14 -28.71 60.28 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.387 0.514 . . . . 64.15 112.387 176.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.02 -33.44 65.75 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.179 0.592 . . . . 50.41 110.518 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -62.41 -41.77 98.94 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.166 0.587 . . . . 63.54 109.836 171.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.07 -35.98 82.52 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 115.218 -0.901 . . . . 75.23 111.215 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.05 -45.5 93.28 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 123.485 0.714 . . . . 64.31 110.376 174.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -59.24 -48.07 83.0 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.063 -0.972 . . . . 75.44 111.041 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -77.21 -18.62 57.58 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 123.547 0.53 . . . . 74.1 111.295 -174.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -68.3 -48.62 64.46 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.851 0.86 . . . . 72.1 110.559 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.11 -18.97 24.87 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.194 -0.912 . . . . 75.11 110.979 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -132.76 88.1 39.01 Favored Pre-proline 0 C--O 1.242 0.678 0 C-N-CA 124.838 1.255 . . . . 75.1 107.864 176.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.71 89.75 0.29 Allowed 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.397 2.065 . . . . 42.44 110.817 176.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.25 -177.28 51.6 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-N 114.752 -1.113 . . . . 51.13 113.723 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.64 -39.36 1.81 Allowed Glycine 0 C--N 1.341 0.855 0 N-CA-C 110.971 -0.852 . . . . 73.44 110.971 -174.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 21.9 m -74.34 85.68 1.97 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 108.571 -0.9 . . . . 53.11 108.571 170.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 163.67 57.24 0.02 OUTLIER Glycine 0 C--N 1.337 0.615 0 N-CA-C 110.152 -1.179 . . . . 61.52 110.152 -174.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 pp -60.2 118.95 6.99 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.687 0.795 . . . . 70.41 110.285 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 33.9 t70 66.17 3.07 2.55 Favored 'General case' 0 CA--C 1.564 1.51 0 C-N-CA 124.918 1.287 . . . . 74.24 112.749 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -106.4 91.24 3.62 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.71 0.804 . . . . 71.52 109.061 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 60.4 mt -91.76 118.58 68.37 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 123.69 0.796 . . . . 52.52 108.978 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.8 151.55 84.01 Favored 'Trans proline' 0 C--N 1.378 2.088 0 C-N-CA 122.596 2.198 . . . . 72.23 112.001 177.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -45.24 -38.5 14.83 Favored 'Trans proline' 0 C--N 1.385 2.481 0 C-N-CA 124.431 3.421 . . . . 63.31 115.555 -177.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -59.94 -57.82 11.23 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 117.701 0.228 . . . . 75.42 110.785 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.2 -28.18 68.56 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.8 0.84 . . . . 72.23 111.021 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -69.28 -56.28 8.01 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.837 -0.62 . . . . 75.32 110.152 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.07 -23.94 64.1 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.757 0.823 . . . . 62.3 111.626 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.468 ' HE1' HD21 ' B' ' 103' ' ' LEU . 54.3 t80 -61.3 -51.91 66.89 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.821 0.848 . . . . 74.41 110.123 174.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 80.8 m -83.05 -26.74 30.85 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.08 -0.964 . . . . 70.14 111.102 -175.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -80.38 84.49 6.01 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.554 0.692 . . . . 65.21 109.207 175.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.458 HG11 ' HE2' ' B' ' 53' ' ' LYS . 16.7 m -123.44 -178.48 1.77 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 114.657 -1.156 . . . . 70.11 109.607 177.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -65.04 153.35 40.98 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.604 0.761 . . . . 75.31 110.261 -177.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.567 ' HA ' HD12 ' B' ' 88' ' ' LEU . 57.0 tp60 -54.79 -50.15 87.58 Favored Pre-proline 0 CA--C 1.567 1.609 0 C-N-CA 123.827 0.851 . . . . 71.24 113.23 -171.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.492 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 32.7 Cg_exo -63.26 -36.7 55.32 Favored 'Trans proline' 0 C--N 1.387 2.576 0 C-N-CA 122.339 2.026 . . . . 73.14 113.452 172.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 15.8 m -63.82 -31.56 72.77 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.825 0.85 . . . . 72.11 111.126 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' B' ' 85' ' ' GLN . 61.4 mt -60.22 -48.9 79.77 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.165 0.986 . . . . 74.04 110.54 173.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -66.75 -31.11 71.54 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 115.604 -0.726 . . . . 72.31 111.265 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -64.6 -38.41 90.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.964 0.506 . . . . 71.51 111.422 175.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.481 HD23 HG23 ' B' ' 50' ' ' ILE . 97.5 mt -70.39 -34.25 72.34 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.183 0.593 . . . . 63.43 111.017 176.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.03 -45.41 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.254 0.622 . . . . 71.42 110.24 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.76 -40.59 95.54 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.714 0.806 . . . . 71.13 110.773 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.05 -42.1 73.34 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.475 0.71 . . . . 65.24 111.423 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.508 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -73.08 -29.34 62.87 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.875 0.47 . . . . 73.23 111.522 -178.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -68.95 -45.83 69.73 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 123.832 0.853 . . . . 72.11 109.442 172.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . 0.465 ' HE1' ' HB3' ' B' ' 43' ' ' LEU . 71.3 t80 -69.3 -37.28 77.72 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.49 1.116 . . . . 65.12 111.92 -177.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.492 HD22 HD11 ' B' ' 27' ' ' ILE . 96.0 mt -91.46 -8.25 48.28 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.455 0.702 . . . . 73.05 110.767 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.521 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 0.7 OUTLIER 67.72 22.25 8.99 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.42 1.088 . . . . 70.0 110.947 174.366 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.568 HG12 ' HA ' ' B' ' 24' ' ' SER . 33.2 mt -84.17 85.54 2.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 108.552 -0.907 . . . . 70.44 108.552 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.89 -37.96 32.32 Favored Pre-proline 0 CA--C 1.562 1.415 0 CA-C-N 114.052 -1.431 . . . . 73.24 112.764 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . 0.439 ' O ' HG23 ' B' ' 106' ' ' VAL . 70.6 Cg_exo -48.25 -46.65 22.18 Favored 'Trans proline' 0 C--N 1.398 3.17 0 C-N-CA 122.601 2.201 . . . . 62.11 114.042 169.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.508 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.6 tm? -77.93 -41.19 37.19 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.23 0.612 . . . . 73.52 109.83 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.542 HD21 HD21 ' A' ' 104' ' ' LEU . 62.9 tp -57.2 -43.05 82.37 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.42 1.088 . . . . 75.21 111.027 -178.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.405 ' O ' ' HD3' ' B' ' 109' ' ' LYS . 25.7 t70 -63.01 -49.0 76.35 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 124.112 0.882 . . . . 64.31 110.427 -179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 102' ' ' PRO . 97.3 t -60.56 -44.84 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.286 0.634 . . . . 72.31 111.287 -178.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 19.2 m -68.78 -37.92 79.66 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 123.102 0.561 . . . . 51.43 111.366 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 97.2 m -67.49 -31.96 72.46 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.159 0.584 . . . . 72.45 110.743 177.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' B' ' 105' ' ' ASP . 1.0 OUTLIER -74.76 -36.53 62.57 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.073 0.549 . . . . 75.42 110.446 175.569 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.4 m -64.67 -46.76 81.08 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.03 0.532 . . . . 73.04 110.844 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 31.6 m -67.43 -32.97 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 116.154 -0.476 . . . . 63.15 110.902 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.22 -31.69 67.89 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.365 0.666 . . . . 61.12 110.863 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -33.74 75.54 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.107 0.563 . . . . 75.33 111.766 -179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 38.6 mtm -65.47 -33.52 76.14 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 123.827 0.704 . . . . 34.11 111.612 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.439 HD13 ' CD2' ' A' ' 89' ' ' PHE . 25.8 pt -94.76 -35.17 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 116.264 -0.426 . . . . 64.34 111.193 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 172.89 87.34 0.0 OUTLIER 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.852 1.661 . . . . 74.32 108.773 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.291 0 CA-C-O 118.974 -0.903 . . . . 37.59 112.483 166.127 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 120.913 0.387 . . . . 73.35 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.3 mt -81.47 117.77 22.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.054 0.542 . . . . 75.22 110.613 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.8 m -85.3 131.83 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 N-CA-C 108.748 -0.834 . . . . 74.43 108.748 168.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 40' ' ' PRO . 85.5 mttt -103.38 125.21 49.86 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.961 -0.755 . . . . 74.34 108.961 -172.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -119.78 96.9 5.37 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.311 0.644 . . . . 74.52 109.596 -172.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -75.14 109.08 8.33 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.28 -0.637 . . . . 63.25 109.28 174.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.9 p -63.64 -175.22 0.12 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 124.013 0.925 . . . . 74.43 112.044 175.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.2 t -57.27 -30.73 64.92 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.751 0.821 . . . . 53.21 111.055 172.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.54 ' HB2' ' HB3' ' A' ' 48' ' ' SER . 6.3 m-20 -89.58 9.4 26.92 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.265 1.026 . . . . 74.21 111.77 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 62.19 20.6 11.84 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.33 1.052 . . . . 71.33 112.415 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -79.34 120.97 24.53 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.697 -0.853 . . . . 63.42 108.697 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.1 t -76.89 96.31 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.065 0.946 . . . . 51.11 109.708 -176.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -85.97 89.62 7.85 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.396 0.617 . . . . 74.34 110.473 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -77.5 101.94 6.69 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.73 -1.123 . . . . 53.44 108.862 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.576 HD12 ' HB3' ' A' ' 55' ' ' LEU . 19.4 tt -131.84 151.89 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 108.901 -0.777 . . . . 63.43 108.901 -178.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -59.57 136.74 58.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 122.985 0.514 . . . . 74.23 111.11 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 18' ' ' LYS . 31.7 ttpt -56.97 -39.77 75.23 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.426 1.09 . . . . 74.01 111.224 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -52.34 -37.86 57.15 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.532 1.133 . . . . 75.41 111.567 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.519 HG21 HD11 ' A' ' 16' ' ' ILE . 32.6 mt -74.56 -42.12 48.77 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 114.555 -1.202 . . . . 72.13 109.903 -177.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.3 -10.16 59.19 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.739 0.816 . . . . 73.44 112.499 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.7 m -73.36 -25.85 60.76 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.276 0.63 . . . . 63.44 111.529 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.483 ' SD ' ' ND1' ' A' ' 61' ' ' HIS . 46.0 mtm -69.84 -33.58 72.5 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-O 121.203 0.525 . . . . 73.42 110.097 175.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.7 t -69.25 108.18 3.55 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 114.744 -1.116 . . . . 60.0 108.303 168.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.437 ' HB ' ' HB2' ' A' ' 99' ' ' ASP . 65.5 t -59.44 -41.6 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 123.577 0.751 . . . . 52.35 110.476 -178.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 m -65.09 -52.5 55.15 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.914 0.885 . . . . 64.14 112.28 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.409 HG13 HD22 ' A' ' 98' ' ' LEU . 83.0 mt -63.52 -42.73 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 109.979 -0.378 . . . . 63.0 109.979 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -60.38 -44.84 95.26 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.484 0.714 . . . . 74.25 110.8 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -67.8 -30.59 70.06 Favored 'General case' 0 N--CA 1.482 1.16 0 O-C-N 123.47 0.482 . . . . 70.24 111.473 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 63.6 mtt -66.84 -42.01 86.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.053 0.541 . . . . 71.03 110.627 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.9 mt -63.21 -47.97 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 123.525 0.73 . . . . 64.14 109.754 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -64.42 -36.06 82.93 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.884 0.873 . . . . 43.34 111.803 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.84 -43.05 80.44 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.793 0.837 . . . . 74.01 110.753 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.7 mt -70.55 -28.55 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 CA-C-N 115.398 -0.819 . . . . 73.52 109.707 174.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.1 14.93 53.68 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 116.129 -0.487 . . . . 61.11 112.172 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 70.46 97.84 0.06 Allowed 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.733 1.613 . . . . 74.11 110.742 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.4 p -114.91 -177.95 3.25 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 124.133 0.973 . . . . 61.41 109.2 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -82.18 -11.29 58.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.189 0.596 . . . . 75.4 110.368 173.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.1 m -60.33 130.24 89.5 Favored Pre-proline 0 C--N 1.357 0.932 0 C-N-CA 123.976 0.91 . . . . 71.13 110.368 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.545 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.0 Cg_endo -68.86 160.03 51.4 Favored 'Trans proline' 0 C--N 1.365 1.434 0 C-N-CA 122.734 2.29 . . . . 62.02 111.609 175.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mp -107.98 94.04 11.98 Favored Pre-proline 0 CA--C 1.55 0.975 0 N-CA-C 107.769 -1.196 . . . . 73.44 107.769 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -71.82 128.41 14.14 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.592 2.195 . . . . 65.42 110.943 178.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.3 mt -109.4 83.81 2.69 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 124.06 0.944 . . . . 52.23 108.55 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -79.79 -3.13 12.64 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 122.585 2.19 . . . . 72.22 112.791 -172.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -78.96 -50.2 11.53 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.191 0.996 . . . . 73.45 109.672 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.18 137.1 22.22 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 123.369 0.668 . . . . 75.13 110.467 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 82.8 p -76.08 171.25 14.78 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.787 0.835 . . . . 73.23 111.04 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.54 ' HB3' ' HB2' ' A' ' 10' ' ' ASP . 67.5 p -70.49 -48.16 57.07 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.817 0.673 . . . . 34.41 112.817 -171.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 55.1 p -62.72 -38.96 92.51 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.277 0.631 . . . . 73.43 110.859 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.432 HG23 HD23 ' A' ' 91' ' ' LEU . 49.7 mm -73.54 -47.79 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.592 -0.731 . . . . 60.23 110.218 -178.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 44.0 tp -61.49 -34.19 75.06 Favored 'General case' 0 N--CA 1.479 1.001 0 O-C-N 123.899 0.749 . . . . 55.43 110.548 178.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.93 -53.63 56.24 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.458 0.703 . . . . 65.21 109.812 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -62.86 -40.51 97.71 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.544 -0.753 . . . . 72.33 111.349 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.453 ' HA ' HD11 ' A' ' 103' ' ' LEU . 56.0 t -57.77 -40.25 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 123.292 0.637 . . . . 75.02 110.225 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.576 ' HB3' HD12 ' A' ' 16' ' ' ILE . 71.0 mt -74.67 -31.62 61.97 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.166 -0.925 . . . . 75.02 111.954 179.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -70.8 -37.56 73.27 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.187 0.595 . . . . 75.15 111.918 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -67.18 -40.98 86.66 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 121.128 0.49 . . . . 72.23 109.993 173.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.637 ' SG ' HD13 ' A' ' 100' ' ' ILE . 99.1 m -64.71 -34.88 79.34 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.639 -0.71 . . . . 53.1 111.093 177.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -64.48 -41.09 96.69 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.39 0.676 . . . . 73.5 109.945 173.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -56.59 -39.17 73.07 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.648 0.779 . . . . 65.34 110.955 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.483 ' ND1' ' SD ' ' A' ' 23' ' ' MET . 58.6 t-80 -74.47 -29.24 61.37 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.607 0.567 . . . . 73.04 111.641 179.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -79.11 -27.72 42.92 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 122.151 -0.343 . . . . 54.13 110.842 177.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -80.53 -36.24 33.4 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.504 0.722 . . . . 74.04 110.222 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -137.22 92.05 14.1 Favored Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 124.6 1.16 . . . . 73.13 107.963 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.48 -37.54 96.94 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 123.27 2.647 . . . . 74.54 112.952 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.3 -92.89 0.59 Allowed Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.747 -0.66 . . . . 65.02 112.012 -177.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.46 -52.63 4.73 Favored Glycine 0 C--N 1.349 1.256 0 N-CA-C 112.228 -0.349 . . . . 72.05 112.228 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.4 p -79.6 177.25 9.02 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.174 0.99 . . . . 64.34 111.201 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.4 88.07 1.45 Allowed Glycine 0 C--N 1.341 0.845 0 N-CA-C 111.296 -0.721 . . . . 44.41 111.296 173.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.22 94.05 0.1 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.615 0.766 . . . . 73.43 109.751 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -79.99 72.31 6.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.79 0.805 . . . . 74.25 109.741 177.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -171.17 119.01 0.48 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 114.41 -1.268 . . . . 73.22 107.857 -177.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 67.0 mt -85.48 112.13 42.02 Favored Pre-proline 0 CA--C 1.547 0.862 0 N-CA-C 109.141 -0.688 . . . . 54.23 109.141 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -77.85 130.63 10.62 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.611 2.207 . . . . 74.43 110.955 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -48.55 -38.57 36.03 Favored 'Trans proline' 0 C--N 1.38 2.186 0 C-N-CA 123.784 2.989 . . . . 71.44 114.055 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -58.31 -55.21 37.94 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.662 0.785 . . . . 72.24 111.58 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.27 -27.42 65.41 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.471 0.708 . . . . 75.0 111.441 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -66.91 -49.12 66.57 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.122 0.569 . . . . 71.42 110.451 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -67.54 -24.94 65.6 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.333 0.653 . . . . 65.13 111.694 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -63.15 -44.48 95.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.774 0.829 . . . . 63.54 110.494 176.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 64.7 m -74.78 -12.84 60.5 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.309 -0.86 . . . . 61.22 111.838 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -79.16 83.23 5.24 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 121.257 0.551 . . . . 63.34 109.995 176.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 m -132.42 169.51 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.604 1.161 . . . . 74.42 108.877 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -75.82 170.08 16.91 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.826 0.45 . . . . 74.43 110.046 -177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -61.29 -52.1 73.3 Favored Pre-proline 0 CA--C 1.562 1.409 0 N-CA-C 113.544 0.942 . . . . 74.31 113.544 -172.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.421 ' O ' ' HG2' ' A' ' 90' ' ' GLU . 31.3 Cg_endo -60.43 -35.41 90.91 Favored 'Trans proline' 0 C--N 1.391 2.782 0 C-N-CA 121.716 1.611 . . . . 75.2 111.583 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.4 m -66.96 -32.15 73.21 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.374 1.07 . . . . 70.21 111.487 -177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.4 mt -60.4 -48.85 79.97 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.878 0.871 . . . . 74.43 110.12 172.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -66.16 -31.53 72.43 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 115.5 -0.773 . . . . 74.32 111.643 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 86' ' ' PRO . 37.4 mm-40 -66.12 -37.84 86.71 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.12 0.568 . . . . 74.35 111.049 176.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.448 ' HB2' HG21 ' A' ' 107' ' ' THR . 95.7 mt -70.75 -34.77 72.19 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.148 0.579 . . . . 44.22 110.924 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.02 -48.54 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.357 0.663 . . . . 53.54 109.685 173.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.58 -44.21 94.74 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.754 0.822 . . . . 74.34 111.057 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.1 -44.1 73.14 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.504 0.722 . . . . 72.12 111.773 -176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.479 ' HB2' HD22 ' A' ' 103' ' ' LEU . . . -68.4 -37.68 80.59 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.986 0.514 . . . . 70.43 111.258 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -69.65 -38.52 77.17 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.496 0.718 . . . . 75.04 110.781 175.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -64.66 -33.4 75.86 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 124.348 1.059 . . . . 75.2 111.187 177.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.417 HD12 HG11 ' A' ' 54' ' ' VAL . 85.7 mt -99.5 -5.54 29.11 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.319 0.648 . . . . 74.12 111.764 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.437 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 3.1 m-20 59.13 30.06 19.75 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.636 1.174 . . . . 73.11 112.05 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.637 HD13 ' SG ' ' A' ' 58' ' ' CYS . 66.1 mt -78.84 87.94 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.585 0 N-CA-C 108.176 -1.046 . . . . 51.15 108.176 173.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.04 -44.2 99.59 Favored Pre-proline 0 CA--C 1.563 1.478 0 CA-C-O 117.746 -1.121 . . . . 73.15 113.551 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -52.79 -52.94 7.71 Favored 'Trans proline' 0 C--N 1.392 2.849 0 C-N-CA 122.111 1.874 . . . . 55.11 113.447 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 95' ' ' ALA . 5.2 tt -65.49 -46.2 80.64 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.369 0.668 . . . . 61.41 110.364 -177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.869 HD21 HD21 ' B' ' 104' ' ' LEU . 57.2 tp -59.79 -41.42 91.14 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.997 0.919 . . . . 73.05 111.486 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.453 ' HA ' HD21 ' B' ' 96' ' ' ASN . 20.7 t70 -60.53 -50.67 72.62 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.19 0.996 . . . . 71.32 110.231 178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.94 -50.69 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.374 -0.83 . . . . 63.54 111.362 -178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.448 HG21 ' HB2' ' A' ' 91' ' ' LEU . 25.3 m -70.68 -35.79 73.0 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 112.353 0.501 . . . . 70.32 112.353 -171.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 72.5 m -65.02 -35.37 80.96 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.734 0.414 . . . . 62.24 110.295 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -76.01 -31.39 58.9 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.121 0.569 . . . . 52.42 111.657 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -63.78 -47.2 81.88 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.326 0.65 . . . . 73.24 110.579 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.0 m -65.44 -32.52 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 116.098 -0.501 . . . . 63.53 110.684 176.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.58 -26.96 62.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.408 0.683 . . . . 45.44 111.968 176.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 116' ' ' ARG . 33.6 m-80 -70.55 -25.3 63.04 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.938 0.495 . . . . 63.41 111.781 177.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 54.4 mtm -71.83 -36.73 70.29 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.299 0.571 . . . . 65.03 110.966 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 43.2 pt -100.21 3.79 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.055 0.942 . . . . 51.02 111.467 -178.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.467 ' HB2' ' HA ' ' A' ' 113' ' ' ASN . 63.8 ttt-85 -51.89 71.25 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 126.828 2.051 . . . . 72.13 114.734 -169.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 2.255 0 C-N-CA 124.943 1.259 . . . . 75.23 115.697 179.429 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.986 0.422 . . . . 54.04 110.543 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.8 mt -83.43 117.35 23.0 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.779 0.432 . . . . 74.52 110.579 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 26.1 m -85.16 131.27 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 108.746 -0.835 . . . . 60.1 108.746 168.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.483 ' HB2' ' HB3' ' B' ' 40' ' ' PRO . 87.0 mttt -103.09 125.6 49.88 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.11 -0.7 . . . . 62.2 109.11 -172.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 46.1 mt -119.85 97.21 5.51 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.527 0.731 . . . . 74.42 109.707 -172.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -75.13 109.55 8.71 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.374 -0.602 . . . . 62.41 109.374 174.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 34.9 p -64.33 -175.17 0.15 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 123.987 0.915 . . . . 74.33 112.095 176.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 32.6 t -58.16 -29.92 65.98 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.788 0.835 . . . . 75.51 111.015 172.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.554 ' HB2' ' HB3' ' B' ' 48' ' ' SER . 4.6 m-20 -89.46 9.62 25.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.272 1.029 . . . . 75.0 111.929 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 62.95 18.39 10.82 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.568 1.147 . . . . 64.15 112.907 175.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -77.86 121.39 24.05 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.754 -0.832 . . . . 74.4 108.754 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -78.06 95.58 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 O-C-N 124.18 0.925 . . . . 70.33 109.935 -176.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -85.62 89.56 7.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.421 0.689 . . . . 73.0 110.509 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -78.42 100.33 6.77 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.616 -1.175 . . . . 55.44 109.079 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.559 HD12 ' HB3' ' B' ' 55' ' ' LEU . 19.6 tt -129.97 151.77 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 108.962 -0.755 . . . . 65.13 108.962 -178.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -59.68 136.65 58.06 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.153 0.581 . . . . 63.43 111.078 -178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' B' ' 18' ' ' LYS . 31.1 ttpt -56.51 -39.76 73.85 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.37 1.068 . . . . 71.44 111.541 -178.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -52.49 -38.79 60.25 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.493 1.117 . . . . 64.13 111.382 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.518 HG21 HD11 ' B' ' 16' ' ' ILE . 33.8 mt -73.24 -42.26 58.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-N 114.515 -1.221 . . . . 71.3 110.017 -177.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.16 -10.78 59.68 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 115.352 -0.84 . . . . 73.43 112.59 178.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 83.1 m -73.34 -25.17 60.51 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.1 0.56 . . . . 74.12 111.484 175.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . 0.478 ' SD ' ' ND1' ' B' ' 61' ' ' HIS . 50.1 mtm -70.38 -33.34 71.29 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-O 121.281 0.562 . . . . 72.45 110.12 175.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.2 t -69.16 108.06 3.46 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.736 -1.12 . . . . 32.32 108.132 168.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' B' ' 99' ' ' ASP . 66.5 t -59.44 -41.07 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.578 0.751 . . . . 72.42 110.495 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 32.6 m -65.34 -52.74 51.84 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.711 0.804 . . . . 71.22 112.232 -176.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.403 HG13 HD22 ' B' ' 98' ' ' LEU . 83.1 mt -63.46 -42.73 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 122.712 0.405 . . . . 71.42 109.949 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -60.29 -45.04 94.74 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.381 0.673 . . . . 63.12 110.68 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -66.57 -32.0 73.06 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.483 0.49 . . . . 75.02 111.816 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 63.5 mtt -66.54 -41.63 88.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.654 0.596 . . . . 70.21 110.457 175.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.03 -48.43 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 C-N-CA 123.364 0.666 . . . . 62.02 109.839 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.58 -35.58 81.45 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.915 0.886 . . . . 50.25 111.684 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.47 -43.45 80.97 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.164 0.986 . . . . 72.3 110.746 -177.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -71.3 -27.35 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.283 -0.871 . . . . 65.32 109.91 174.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.16 18.43 49.99 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 116.021 -0.536 . . . . 42.44 112.078 -176.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 68.4 97.02 0.06 Allowed 'General case' 0 C--N 1.351 0.655 0 C-N-CA 125.717 1.607 . . . . 65.01 111.224 177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 59.4 p -113.69 -178.78 3.46 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 124.452 1.101 . . . . 73.22 109.204 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -83.0 -11.5 58.06 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 115.969 -0.559 . . . . 75.34 110.378 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 59.0 m -60.23 132.69 90.31 Favored Pre-proline 0 C--N 1.358 0.935 0 C-N-CA 124.073 0.949 . . . . 62.54 110.557 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.483 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 60.9 Cg_endo -70.7 161.19 46.93 Favored 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 122.943 2.428 . . . . 73.13 111.74 176.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.65 93.54 12.25 Favored Pre-proline 0 CA--C 1.551 0.982 0 N-CA-C 107.635 -1.246 . . . . 71.21 107.635 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.83 127.17 12.69 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.564 2.176 . . . . 52.22 111.056 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.8 mt -108.39 84.28 2.27 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 124.055 0.942 . . . . 73.05 108.794 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -79.95 -3.18 12.61 Favored 'Trans proline' 0 C--N 1.383 2.372 0 C-N-CA 122.564 2.176 . . . . 65.23 112.841 -173.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -78.1 -50.8 11.33 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.123 0.969 . . . . 71.44 109.414 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -90.25 136.83 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.533 0.733 . . . . 73.11 110.534 -176.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 70.6 p -75.83 171.45 14.37 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.774 0.83 . . . . 65.23 111.192 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.554 ' HB3' ' HB2' ' B' ' 10' ' ' ASP . 61.4 p -69.94 -48.5 58.19 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.236 0.614 . . . . 71.2 112.635 -171.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 55.1 p -63.24 -38.3 90.61 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.184 0.593 . . . . 75.24 110.958 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.425 HG23 HD23 ' B' ' 91' ' ' LEU . 50.7 mm -74.03 -47.66 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 115.398 -0.819 . . . . 74.23 110.092 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' B' ' 55' ' ' LEU . 44.5 tp -61.65 -33.95 74.85 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.964 0.79 . . . . 63.3 110.652 178.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.93 -53.86 53.68 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.399 0.68 . . . . 63.31 109.688 177.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -62.67 -40.59 97.55 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 123.909 0.756 . . . . 64.22 111.387 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.459 ' HA ' HD11 ' B' ' 103' ' ' LEU . 55.7 t -57.67 -40.37 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.219 0.608 . . . . 74.43 110.275 178.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.559 ' HB3' HD12 ' B' ' 16' ' ' ILE . 71.3 mt -74.48 -31.54 62.26 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.293 -0.867 . . . . 63.13 111.91 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -70.66 -37.62 73.71 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.222 0.609 . . . . 74.33 111.901 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -67.41 -40.78 85.59 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.061 0.544 . . . . 71.42 110.025 173.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' B' ' 100' ' ' ILE . 98.3 m -64.8 -35.17 80.23 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 115.576 -0.738 . . . . 74.02 110.95 177.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.55 -40.79 96.23 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.417 0.687 . . . . 71.54 110.072 173.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -56.91 -39.23 74.06 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.54 0.736 . . . . 64.42 110.842 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.478 ' ND1' ' SD ' ' B' ' 23' ' ' MET . 57.0 t-80 -74.29 -29.94 61.86 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.979 -0.555 . . . . 72.24 111.565 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -78.27 -29.11 47.84 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 120.937 0.398 . . . . 43.51 111.033 178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -78.5 -36.92 44.34 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.668 0.787 . . . . 74.3 110.376 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -137.36 92.64 13.42 Favored Pre-proline 0 CA--C 1.547 0.838 0 N-CA-C 108.05 -1.093 . . . . 74.42 108.05 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.83 -37.58 95.86 Favored 'Trans proline' 0 C--N 1.381 2.288 0 C-N-CA 123.304 2.67 . . . . 72.43 112.931 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.21 -91.77 0.47 Allowed Glycine 0 C--N 1.346 1.096 0 CA-C-N 115.51 -0.768 . . . . 53.13 112.117 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.23 -51.97 4.64 Favored Glycine 0 C--N 1.35 1.331 0 N-CA-C 112.166 -0.374 . . . . 60.45 112.166 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 51.3 p -79.84 178.59 8.09 Favored 'General case' 0 C--O 1.245 0.817 0 C-N-CA 124.112 0.965 . . . . 62.33 111.102 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -83.73 86.68 1.51 Allowed Glycine 0 C--N 1.342 0.894 0 N-CA-C 111.45 -0.66 . . . . 64.41 111.45 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.03 94.38 0.07 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.829 0.852 . . . . 74.14 109.868 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -80.83 72.22 7.8 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.833 0.825 . . . . 63.3 109.232 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -171.67 116.89 0.4 Allowed 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.294 -1.321 . . . . 73.22 108.065 -177.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 69.3 mt -84.85 111.56 36.29 Favored Pre-proline 0 N--CA 1.476 0.839 0 N-CA-C 108.981 -0.748 . . . . 71.41 108.981 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -77.36 130.66 11.11 Favored 'Trans proline' 0 C--N 1.371 1.711 0 C-N-CA 122.56 2.174 . . . . 72.42 111.108 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -48.57 -39.42 37.17 Favored 'Trans proline' 0 C--N 1.381 2.241 0 C-N-CA 123.782 2.988 . . . . 72.14 113.713 176.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -58.0 -54.83 42.51 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.718 0.807 . . . . 63.32 111.645 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.75 -27.6 66.06 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.372 0.669 . . . . 63.13 111.549 -175.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 52.1 ttt-85 -67.14 -49.54 64.45 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.024 0.53 . . . . 73.32 110.213 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.72 -24.0 65.33 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.527 0.731 . . . . 74.14 111.442 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -63.92 -45.5 88.98 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.736 0.815 . . . . 75.32 110.398 176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.51 -13.17 61.0 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 115.179 -0.919 . . . . 73.42 111.719 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -78.5 83.4 4.7 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-O 121.143 0.496 . . . . 73.44 110.123 177.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.62 169.9 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.517 1.127 . . . . 71.41 109.014 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -76.77 170.05 17.17 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.003 0.521 . . . . 65.14 109.905 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.83 -52.7 70.52 Favored Pre-proline 0 N--CA 1.488 1.443 0 N-CA-C 113.617 0.969 . . . . 75.01 113.617 -172.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.412 ' O ' ' HG2' ' B' ' 90' ' ' GLU . 31.1 Cg_endo -60.34 -35.74 90.1 Favored 'Trans proline' 0 C--N 1.389 2.691 0 C-N-CA 121.887 1.725 . . . . 60.25 111.624 175.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 16.1 m -67.07 -31.93 72.76 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.329 1.052 . . . . 73.24 111.42 -177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.95 -49.21 78.57 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.982 0.913 . . . . 72.21 109.989 172.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -66.17 -31.5 72.37 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 115.588 -0.733 . . . . 74.1 111.76 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' B' ' 86' ' ' PRO . 33.6 mm-40 -66.4 -37.29 84.9 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 123.509 0.506 . . . . 43.22 110.925 176.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.445 ' HB2' HG21 ' B' ' 107' ' ' THR . 95.6 mt -70.87 -34.75 71.94 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.19 0.596 . . . . 73.54 110.787 176.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 74.4 mt -63.99 -48.41 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 123.354 0.662 . . . . 71.34 109.811 173.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.65 -44.52 93.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.864 0.866 . . . . 54.43 111.039 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.57 -43.85 75.67 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.932 0.77 . . . . 41.12 111.695 -176.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.482 ' HB2' HD22 ' B' ' 103' ' ' LEU . . . -68.99 -37.71 78.89 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.1 -0.5 . . . . 63.42 111.419 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . 0.453 HD21 ' HA ' ' A' ' 105' ' ' ASP . 62.8 t30 -70.11 -37.59 75.4 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.535 0.734 . . . . 74.45 111.168 175.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.36 -32.33 73.92 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 124.351 1.06 . . . . 74.32 111.076 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.432 HD12 HG11 ' B' ' 54' ' ' VAL . 85.4 mt -100.65 -5.24 26.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.115 0.566 . . . . 72.15 111.914 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.454 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 3.2 m-20 59.27 29.28 18.82 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.683 1.193 . . . . 73.45 112.169 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.643 HD13 ' SG ' ' B' ' 58' ' ' CYS . 65.7 mt -78.3 87.66 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.444 0 N-CA-C 108.24 -1.022 . . . . 72.31 108.24 173.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -55.51 -44.9 99.89 Favored Pre-proline 0 CA--C 1.562 1.405 0 CA-C-O 117.575 -1.202 . . . . 73.24 113.403 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.59 -52.72 8.24 Favored 'Trans proline' 0 C--N 1.393 2.92 0 C-N-CA 122.2 1.933 . . . . 51.24 113.639 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.482 HD22 ' HB2' ' B' ' 95' ' ' ALA . 5.3 tt -65.61 -46.61 78.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.358 0.663 . . . . 62.12 110.414 -177.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 104' ' ' LEU . 56.2 tp -59.5 -41.56 90.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.97 0.908 . . . . 74.31 111.56 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.54 -49.91 75.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.118 0.967 . . . . 65.33 110.348 178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 72.5 t -61.49 -50.72 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.38 -0.827 . . . . 72.21 111.53 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.445 HG21 ' HB2' ' B' ' 91' ' ' LEU . 26.0 m -70.63 -35.72 73.08 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.901 0.48 . . . . 43.2 112.205 -171.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 70.8 m -65.11 -34.69 78.99 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.793 0.437 . . . . 71.22 110.586 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -76.49 -31.79 57.94 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.18 0.592 . . . . 55.53 111.695 174.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 97.1 m -63.28 -47.52 81.97 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.332 0.653 . . . . 74.14 110.355 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 m -65.66 -32.67 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 CA-C-N 115.916 -0.584 . . . . 72.23 110.75 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.64 -26.88 62.73 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.433 0.693 . . . . 73.53 111.677 176.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -70.85 -25.17 62.7 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 122.961 0.504 . . . . 74.54 111.836 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 54.3 mtm -71.3 -36.6 71.69 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.203 0.525 . . . . 73.14 110.626 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.7 pt -102.17 5.18 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 C-N-CA 124.545 1.138 . . . . 74.44 112.112 -177.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 -39.9 -17.66 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 118.058 2.614 . . . . 75.42 118.058 -162.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 117.961 1.945 . . . . 73.01 117.961 174.438 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 p . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.952 0.406 . . . . 71.04 111.379 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.34 118.14 11.04 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.594 0.758 . . . . 74.41 110.431 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.6 m -79.31 127.02 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 CA-C-O 121.612 0.72 . . . . 73.45 109.57 174.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.512 ' HB3' HG13 ' A' ' 13' ' ' VAL . 90.9 mttt -88.74 113.69 24.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.071 -0.968 . . . . 75.21 109.469 -172.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.563 HD13 HD13 ' A' ' 27' ' ' ILE . 62.6 mt -115.63 103.73 11.0 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.656 -0.868 . . . . 62.52 108.656 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.669 ' HB2' ' HB3' ' A' ' 42' ' ' PRO . 6.1 mp0 -76.72 150.35 36.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.219 0.533 . . . . 71.42 110.028 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.5 p -89.39 -174.39 4.36 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 123.7 0.8 . . . . 73.04 111.22 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.6 t -57.91 -33.02 68.31 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.565 0.746 . . . . 55.43 110.295 167.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.61 1.73 40.8 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.433 1.093 . . . . 62.1 111.908 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 64.91 20.86 12.23 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.816 1.247 . . . . 73.25 112.22 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -80.1 123.57 27.99 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.343 -0.614 . . . . 74.41 109.343 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.512 HG13 ' HB3' ' A' ' 5' ' ' LYS . 96.5 t -75.89 103.74 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.466 1.106 . . . . 75.44 110.92 -172.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -94.76 94.01 7.84 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.352 -0.61 . . . . 73.13 109.352 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG2' ' HG2' ' A' ' 5' ' ' LYS . 33.6 mt-10 -74.41 79.74 1.89 Allowed 'General case' 0 C--O 1.241 0.644 0 CA-C-N 115.049 -0.978 . . . . 72.34 108.709 178.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 tp -91.36 146.71 5.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.15 -0.932 . . . . 71.44 108.864 -177.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.58 135.1 55.63 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 108.633 -0.877 . . . . 63.13 108.633 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -61.64 -35.33 77.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.593 0.757 . . . . 75.44 112.768 -166.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -72.53 -26.92 61.94 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.867 0.467 . . . . 74.23 110.759 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mt -73.25 -35.66 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 CA-C-O 121.158 0.504 . . . . 72.11 109.729 172.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -25.18 63.64 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.216 0.607 . . . . 54.51 110.83 173.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.492 ' HA ' ' HB2' ' A' ' 28' ' ' LYS . 78.3 m -75.82 -28.31 58.24 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.273 0.629 . . . . 62.4 111.35 173.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.8 mtp -61.81 -33.11 73.55 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.407 0.622 . . . . 71.23 109.945 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.528 ' HA ' HG12 ' A' ' 100' ' ' ILE . 37.6 t -73.72 104.2 4.56 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 107.924 -1.139 . . . . 72.43 107.924 164.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -65.52 -38.23 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 122.547 0.339 . . . . 73.23 111.571 -171.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 99.4 m -61.05 -48.66 80.71 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.943 0.497 . . . . 72.35 111.481 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.563 HD13 HD13 ' A' ' 6' ' ' LEU . 75.3 mt -66.18 -39.26 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 122.714 0.406 . . . . 75.22 110.042 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 22.7 ttpp -57.04 -46.72 82.2 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.966 0.906 . . . . 75.31 110.812 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.42 -43.66 98.49 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.119 0.887 . . . . 74.14 110.323 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 65.6 mtt -58.96 -46.06 89.0 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.988 0.805 . . . . 72.31 110.649 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.2 mt -57.55 -46.82 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.802 0.841 . . . . 75.12 110.163 177.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.89 -40.46 97.6 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.525 0.73 . . . . 65.32 111.876 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -64.23 -44.05 93.05 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 122.9 0.48 . . . . 72.03 111.014 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -70.95 -28.58 33.93 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.517 -0.765 . . . . 61.34 110.488 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.67 24.28 16.18 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 116.476 -0.329 . . . . 60.52 112.446 -177.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 67.44 92.07 0.08 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.808 1.643 . . . . 74.34 111.06 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.6 p -108.43 163.17 13.45 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.503 0.721 . . . . 54.11 111.006 -177.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -18.97 51.89 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.859 0.864 . . . . 54.33 110.394 173.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.0 p -57.42 125.83 72.89 Favored Pre-proline 0 CA--C 1.551 1.001 0 O-C-N 124.226 0.954 . . . . 70.04 111.784 -175.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 59.7 Cg_endo -69.54 135.18 30.3 Favored 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 122.51 2.14 . . . . 63.42 111.528 179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.8 mm -107.43 97.45 19.4 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 122.972 0.509 . . . . 72.53 109.647 -175.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.669 ' HB3' ' HB2' ' A' ' 7' ' ' GLU . 74.4 Cg_endo -75.38 131.42 13.85 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 122.386 2.057 . . . . 62.43 111.911 175.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.03 96.33 6.71 Favored Pre-proline 0 CA--C 1.553 1.061 0 N-CA-C 108.409 -0.96 . . . . 63.41 108.409 172.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -76.22 -9.47 19.08 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 122.83 2.353 . . . . 53.11 113.425 -174.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -70.61 -52.22 22.86 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.713 0.805 . . . . 63.24 110.501 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.407 HG11 HD13 ' A' ' 51' ' ' LEU . 9.0 p -89.99 135.68 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 115.593 -0.73 . . . . 53.22 110.056 -174.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.7 p -78.91 172.66 13.47 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.363 0.665 . . . . 70.44 111.092 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.3 p -65.22 -48.28 73.92 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.496 0.718 . . . . 72.3 112.356 -173.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.5 m -63.7 -45.37 90.32 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 123.788 0.68 . . . . 63.52 111.266 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.2 mm -70.48 -44.23 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 122.457 0.303 . . . . 71.51 110.229 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.407 HD13 HG11 ' A' ' 46' ' ' VAL . 49.7 tp -61.9 -40.49 95.64 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.046 0.539 . . . . 75.12 110.34 178.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -58.99 -49.84 76.35 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 123.839 0.712 . . . . 62.44 110.417 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -66.98 -42.31 85.32 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 124.34 1.025 . . . . 64.31 111.919 -176.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.8 t -67.37 -38.45 80.83 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 N-CA-C 109.889 -0.411 . . . . 73.34 109.889 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.73 -30.16 65.31 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.856 0.462 . . . . 72.2 111.084 173.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -71.12 -35.98 71.96 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.71 0.804 . . . . 63.31 109.772 -178.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -68.22 -43.34 78.18 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 115.696 -0.684 . . . . 71.15 109.789 170.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.646 ' SG ' HD13 ' A' ' 100' ' ' ILE . 78.3 m -61.87 -31.26 71.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 122.363 0.265 . . . . 72.53 111.001 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 24.5 mtp180 -66.02 -49.3 68.21 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.902 0.881 . . . . 72.03 109.792 171.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -54.4 -46.63 73.15 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.483 1.113 . . . . 73.12 111.812 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -80.26 -15.62 56.54 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.627 0.771 . . . . 72.01 111.011 -176.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -79.61 -47.23 15.79 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.438 0.695 . . . . 74.13 110.01 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 59' ' ' ARG . 16.2 mm100 -72.29 -30.45 64.82 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.342 -0.845 . . . . 64.55 110.155 -178.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -135.05 99.79 12.15 Favored Pre-proline 0 CA--C 1.538 0.516 0 C-N-CA 124.059 0.944 . . . . 71.22 108.929 175.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -48.81 -36.91 34.77 Favored 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.884 2.389 . . . . 71.51 112.289 169.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -110.89 -115.56 3.59 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-N 114.463 -1.244 . . . . 71.11 110.209 170.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.91 18.46 40.13 Favored Glycine 0 CA--C 1.545 1.917 0 CA-C-O 119.975 -0.347 . . . . 71.11 113.228 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.538 ' O ' ' HB3' ' A' ' 72' ' ' ASP . 22.4 m -169.67 146.42 3.28 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 125.802 1.641 . . . . 65.13 111.514 -164.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.748 ' HA3' ' HB3' ' A' ' 72' ' ' ASP . . . 169.8 -113.07 0.5 Allowed Glycine 1 N--CA 1.526 4.699 0 N-CA-C 118.998 2.359 . . . . 52.44 118.998 -173.251 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.665 ' H ' ' N ' ' A' ' 72' ' ' ASP . 23.1 tp 175.37 -36.31 0.01 OUTLIER 'General case' 0 N--CA 1.525 3.322 0 C-N-CA 130.886 3.674 . . . . 71.13 105.474 169.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -78.03 11.3 2.33 Favored 'General case' 0 CA--C 1.566 1.594 0 CA-C-N 111.639 -2.528 . . . . 61.42 108.651 144.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.748 ' HB3' ' HA3' ' A' ' 69' ' ' GLY . 0.3 OUTLIER -172.52 -6.26 0.01 OUTLIER 'General case' 1 CA--C 1.665 5.391 0 CA-C-O 116.641 -1.647 . . . . 72.41 112.085 -170.702 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.625 ' HA ' ' H ' ' A' ' 69' ' ' GLY . 2.2 mt -38.23 136.13 0.84 Allowed Pre-proline 2 N--CA 1.603 7.199 0 CA-C-N 123.069 2.668 . . . . 74.44 113.338 -161.661 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -95.64 141.72 1.05 Allowed 'Trans proline' 0 C--N 1.396 3.05 0 C-N-CA 121.483 1.456 . . . . 63.11 111.992 169.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.68 -22.52 64.23 Favored 'Trans proline' 0 CA--C 1.551 1.347 0 C-N-CA 122.239 1.959 . . . . 71.34 111.732 169.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -56.78 -54.22 48.82 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.529 1.531 . . . . 73.53 111.394 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -71.38 -22.86 61.83 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.216 -0.902 . . . . 32.1 112.056 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -60.72 -41.56 95.53 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 109.977 -0.379 . . . . 61.42 109.977 173.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.78 -38.73 87.14 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 123.689 0.618 . . . . 53.33 110.873 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.507 ' CZ ' HD21 ' A' ' 103' ' ' LEU . 61.0 t80 -59.26 -41.15 88.13 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.577 0.751 . . . . 73.34 110.818 175.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.97 -2.53 21.39 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.84 0.856 . . . . 74.51 112.603 -174.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -77.17 83.71 3.65 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 121.734 0.778 . . . . 75.24 109.505 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.519 HG11 HD11 ' A' ' 91' ' ' LEU . 15.9 m -134.11 162.04 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.021 1.328 . . . . 54.23 109.216 -177.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.49 172.62 10.85 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.237 -1.023 . . . . 75.1 108.237 169.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.421 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 23.1 tp60 -61.81 -49.84 84.21 Favored Pre-proline 0 CA--C 1.568 1.666 0 CA-C-O 118.303 -0.856 . . . . 72.22 112.446 -175.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.421 ' HD3' ' HB3' ' A' ' 85' ' ' GLN . 49.3 Cg_exo -58.71 -41.1 66.93 Favored 'Trans proline' 0 C--N 1.39 2.753 0 C-N-CA 122.064 1.843 . . . . 72.51 112.584 173.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.9 m -65.43 -30.24 71.01 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.083 0.953 . . . . 72.5 111.567 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 tt -65.03 -44.96 87.4 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.008 0.923 . . . . 75.23 108.941 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.471 ' HE1' ' HE1' ' B' ' 89' ' ' PHE . 35.3 m-85 -68.23 -30.61 69.72 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.529 -0.76 . . . . 73.22 111.549 177.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -60.02 -35.88 76.02 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.016 0.526 . . . . 71.32 111.367 175.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.519 HD11 HG11 ' A' ' 83' ' ' VAL . 82.9 mt -67.73 -39.04 84.31 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.427 0.691 . . . . 61.21 110.5 176.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.7 -42.81 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 123.631 0.772 . . . . 73.54 110.301 176.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.22 -43.15 87.52 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.135 0.974 . . . . 73.21 110.673 -178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.66 -37.26 70.82 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.613 0.765 . . . . 70.22 111.448 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 103' ' ' LEU . . . -72.61 -32.54 66.02 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.833 0.453 . . . . 64.25 111.568 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -75.37 -37.8 60.4 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.253 0.621 . . . . 73.24 110.022 175.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -66.57 -46.69 75.18 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.812 0.845 . . . . 61.45 111.125 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.405 HD22 HD11 ' A' ' 27' ' ' ILE . 98.8 mt -89.26 -7.41 55.51 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.686 0.794 . . . . 52.44 111.567 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 37.8 t0 61.5 34.12 18.16 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.673 1.189 . . . . 72.25 110.991 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.646 HD13 ' SG ' ' A' ' 58' ' ' CYS . 36.8 mt -87.61 80.05 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.429 0 N-CA-C 108.254 -1.017 . . . . 74.23 108.254 174.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -61.5 -37.12 38.24 Favored Pre-proline 0 CA--C 1.554 1.099 0 CA-C-N 114.212 -1.358 . . . . 72.32 113.518 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -46.96 -42.54 25.35 Favored 'Trans proline' 0 C--N 1.397 3.101 0 C-N-CA 121.866 1.711 . . . . 61.14 113.091 169.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.541 HD12 ' HB2' ' A' ' 95' ' ' ALA . 2.2 tm? -79.62 -43.64 22.5 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.987 -0.375 . . . . 73.02 109.987 -179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.415 HD21 HD21 ' B' ' 104' ' ' LEU . 59.2 tp -55.65 -44.58 77.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.064 0.946 . . . . 72.11 111.269 -177.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -70.28 -42.74 71.67 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.058 0.849 . . . . 73.01 111.04 -175.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.0 t -61.05 -42.17 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.084 0.554 . . . . 54.22 110.578 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 26.1 m -71.77 -30.49 65.62 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 123.558 0.743 . . . . 42.33 110.88 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.449 ' HB3' HD23 ' B' ' 93' ' ' LEU . 89.8 m -69.92 -33.64 72.44 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.499 0.72 . . . . 54.12 110.287 173.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -71.56 -32.99 68.71 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.701 0.4 . . . . 74.05 110.472 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 83.8 m -60.52 -46.85 88.62 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.073 0.549 . . . . 74.01 110.691 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.77 -36.41 52.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.622 0.369 . . . . 51.41 111.419 177.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 116' ' ' ARG . . . -63.68 -42.68 97.99 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.269 0.627 . . . . 65.11 111.585 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -63.4 -34.52 77.92 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.541 0.737 . . . . 60.43 111.791 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 59.4 mtm -78.78 -20.79 49.02 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.993 0.517 . . . . 73.34 111.867 -176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.457 HG21 ' HD2' ' B' ' 89' ' ' PHE . 41.0 pt -101.33 -1.06 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 112.346 0.498 . . . . 74.15 112.346 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 112' ' ' ALA . 64.3 mtp180 -64.28 93.59 0.1 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 122.657 0.383 . . . . 70.21 110.182 175.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 CA-C-O 119.377 -0.68 . . . . 71.1 112.102 178.02 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.5 p . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.88 0.371 . . . . 63.44 110.947 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.36 118.18 11.92 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.902 0.881 . . . . 71.23 110.247 178.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 19.3 m -80.4 127.24 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-O 121.632 0.729 . . . . 74.15 109.531 174.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.504 ' HB3' HG13 ' B' ' 13' ' ' VAL . 90.1 mttt -88.5 113.73 24.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.979 -1.01 . . . . 65.05 109.496 -172.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.568 HD13 HD13 ' B' ' 27' ' ' ILE . 63.2 mt -115.54 103.57 10.87 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.493 -0.929 . . . . 53.31 108.493 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.656 ' HB2' ' HB3' ' B' ' 42' ' ' PRO . 5.7 mp0 -76.12 150.15 37.26 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.229 0.538 . . . . 62.42 110.001 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 25.6 p -89.57 -174.16 4.23 Favored 'General case' 0 C--O 1.242 0.694 0 C-N-CA 123.727 0.811 . . . . 73.22 111.242 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 35.5 t -58.57 -32.48 68.97 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.677 -0.692 . . . . 64.05 110.493 167.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -83.9 2.22 39.61 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.236 1.015 . . . . 72.11 111.553 177.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 65.23 19.36 11.7 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 124.996 1.318 . . . . 75.24 112.299 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -79.08 123.25 27.16 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 109.187 -0.671 . . . . 42.34 109.187 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.504 HG13 ' HB3' ' B' ' 5' ' ' LYS . 90.9 t -75.16 105.38 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.521 1.128 . . . . 74.55 110.697 -173.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -96.05 94.64 7.68 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.424 -0.584 . . . . 75.53 109.424 175.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.46 ' HG2' ' HG2' ' B' ' 5' ' ' LYS . 33.9 mt-10 -74.72 77.97 2.05 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.24 -0.891 . . . . 64.43 109.136 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 10.7 tp -89.85 146.69 5.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.436 -0.802 . . . . 64.02 109.115 -176.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -64.83 135.91 56.29 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.664 -0.865 . . . . 64.41 108.664 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -62.41 -34.71 77.29 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.811 0.671 . . . . 74.03 112.811 -165.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -72.1 -27.8 62.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.788 0.435 . . . . 70.11 110.805 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 30.1 mt -72.97 -35.67 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 109.663 -0.495 . . . . 73.4 109.663 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.79 -25.4 63.77 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.14 0.576 . . . . 61.44 110.843 173.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' CYS . . . . . 0.482 ' HA ' ' HB2' ' B' ' 28' ' ' LYS . 78.1 m -75.58 -27.87 58.72 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.26 0.624 . . . . 70.3 111.253 173.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' MET . . . . . . . . . . . . . 87.4 mtp -62.6 -33.21 74.52 Favored 'General case' 0 N--CA 1.492 1.656 0 CA-C-O 121.316 0.579 . . . . 71.45 109.795 173.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.528 ' HA ' HG12 ' B' ' 100' ' ' ILE . 37.4 t -73.73 104.35 4.61 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 107.878 -1.156 . . . . 62.42 107.878 164.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.38 -38.38 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.617 0.367 . . . . 65.23 111.722 -171.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 99.5 m -61.46 -48.48 80.95 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.032 0.533 . . . . 63.13 111.43 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.568 HD13 HD13 ' B' ' 6' ' ' LEU . 75.5 mt -65.77 -39.39 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 122.755 0.422 . . . . 71.41 109.899 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.482 ' HB2' ' HA ' ' B' ' 22' ' ' CYS . 22.2 ttpp -57.36 -46.51 83.27 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.907 0.883 . . . . 74.52 110.767 176.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -61.94 -42.56 99.25 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 123.951 0.782 . . . . 60.44 110.516 -179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' MET . . . . . . . . . . . . . 65.3 mtt -59.13 -46.59 87.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.622 0.769 . . . . 72.11 110.692 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 88.7 mt -57.66 -47.08 86.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 123.901 0.88 . . . . 73.01 110.134 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.85 -41.04 99.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.572 0.749 . . . . 72.13 111.781 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -64.31 -43.55 94.35 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.033 0.533 . . . . 73.53 111.027 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.16 -28.64 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-N 115.818 -0.628 . . . . 74.43 110.66 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.21 29.53 10.2 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 112.04 -0.424 . . . . 31.42 112.04 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 62.91 91.08 0.07 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.63 1.572 . . . . 75.0 111.065 177.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 33.7 p -106.96 165.06 11.62 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.594 0.758 . . . . 75.13 110.602 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -17.34 50.64 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 115.721 -0.672 . . . . 72.33 109.799 174.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 79.5 p -57.56 125.58 72.64 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 123.641 0.776 . . . . 64.21 111.867 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.479 ' HB3' ' HB2' ' B' ' 5' ' ' LYS . 59.1 Cg_endo -69.19 134.68 29.81 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 122.504 2.136 . . . . 74.43 111.247 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 51.0 mm -107.28 97.72 19.95 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.108 0.563 . . . . 73.44 109.581 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.656 ' HB3' ' HB2' ' B' ' 7' ' ' GLU . 73.3 Cg_endo -76.16 129.84 11.65 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.489 2.126 . . . . 72.11 112.117 176.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -100.54 96.57 5.46 Favored Pre-proline 0 CA--C 1.554 1.1 0 N-CA-C 108.466 -0.939 . . . . 74.5 108.466 172.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -76.43 -9.72 18.83 Favored 'Trans proline' 0 C--N 1.379 2.165 0 C-N-CA 122.93 2.42 . . . . 73.32 113.464 -175.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -70.1 -52.57 22.75 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.796 0.838 . . . . 52.21 110.43 176.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -89.85 136.05 24.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-N 115.599 -0.728 . . . . 73.52 110.079 -174.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . . . . . . . . . 45.8 p -78.93 173.4 12.59 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.49 0.716 . . . . 74.34 111.041 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 53.4 p -66.22 -47.78 72.73 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.317 0.647 . . . . 71.02 112.285 -173.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 89.8 m -63.95 -45.8 87.54 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 123.781 0.676 . . . . 63.54 111.324 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 51.3 mm -69.91 -44.25 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 N-CA-C 110.212 -0.292 . . . . 74.31 110.212 -177.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 49.7 tp -61.9 -40.26 94.84 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 122.995 0.518 . . . . 63.24 110.434 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -59.33 -50.23 74.79 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 123.899 0.749 . . . . 73.01 110.251 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -66.04 -42.65 89.27 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 124.36 1.037 . . . . 75.35 111.732 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.49 -38.96 81.58 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 122.791 0.436 . . . . 64.21 110.092 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 83.6 mt -71.02 -30.12 66.24 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.956 0.502 . . . . 74.25 111.207 173.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -71.46 -36.32 71.17 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.807 0.843 . . . . 64.04 109.747 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.88 -42.98 80.41 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 115.666 -0.697 . . . . 61.3 109.647 170.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.636 ' SG ' HD13 ' B' ' 100' ' ' ILE . 74.7 m -62.27 -31.21 71.76 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 122.308 0.243 . . . . 55.03 111.017 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' B' ' 63' ' ' GLN . 26.7 mtp180 -65.99 -48.88 69.74 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.763 0.825 . . . . 72.35 109.725 171.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -54.61 -46.8 73.91 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.629 1.172 . . . . 55.42 111.806 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -80.24 -15.48 56.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.734 0.814 . . . . 73.1 111.088 -176.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 t60 -79.7 -47.04 15.99 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.508 0.723 . . . . 71.33 110.213 177.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' B' ' 59' ' ' ARG . 16.1 mm100 -72.22 -30.29 64.77 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.218 -0.901 . . . . 64.22 110.042 -178.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -136.23 100.29 10.61 Favored Pre-proline 0 CA--C 1.535 0.399 0 C-N-CA 124.08 0.952 . . . . 55.43 108.556 175.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -48.91 -36.21 33.62 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 123.157 2.572 . . . . 74.22 112.222 169.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.75 -107.62 2.87 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.8 -1.32 . . . . 75.13 109.8 168.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.02 25.94 66.76 Favored Glycine 0 N--CA 1.478 1.48 0 CA-C-O 121.998 0.777 . . . . 73.23 113.667 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . 0.466 ' HB3' ' HD3' ' B' ' 74' ' ' PRO . 64.4 m -135.38 164.03 28.69 Favored 'General case' 0 CA--C 1.587 2.379 0 N-CA-C 105.254 -2.128 . . . . 72.31 105.254 -177.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.751 ' HA2' ' HA ' ' B' ' 72' ' ' ASP . . . -163.8 98.26 0.15 Allowed Glycine 2 CA--C 1.622 6.757 0 N-CA-C 119.963 2.745 . . . . 53.01 119.963 -172.585 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.837 ' N ' ' H ' ' B' ' 73' ' ' ILE . 65.2 tp -104.79 -64.65 1.1 Allowed 'General case' 0 C--N 1.381 1.956 1 N-CA-C 99.983 -4.08 . . . . 62.44 99.983 156.749 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -96.41 -25.3 15.76 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 105.285 -2.117 . . . . 63.03 105.285 131.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.751 ' HA ' ' HA2' ' B' ' 69' ' ' GLY 0.383 0.2 OUTLIER -148.99 37.23 0.78 Allowed 'General case' 1 CA--C 1.713 7.232 0 N-CA-C 118.549 2.796 . . . . 55.12 118.549 175.849 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.837 ' H ' ' N ' ' B' ' 70' ' ' LEU . 22.8 mt -73.46 122.75 88.39 Favored Pre-proline 2 N--CA 1.609 7.488 1 C-N-CA 131.833 4.053 . . . . 71.24 118.658 154.128 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' PRO . . . . . 0.466 ' HD3' ' HB3' ' B' ' 68' ' ' SER . 66.2 Cg_endo -94.26 153.89 2.08 Favored 'Trans proline' 0 CA--C 1.563 1.943 0 C-N-CA 123.414 2.743 . . . . 62.14 112.375 167.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.51 -23.36 57.68 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 121.887 1.725 . . . . 73.54 111.71 170.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -56.47 -53.69 54.53 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.696 1.598 . . . . 75.44 111.381 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -71.57 -22.38 61.75 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.17 -0.923 . . . . 74.21 112.29 -175.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -60.43 -41.01 93.12 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.554 0.342 . . . . 70.43 110.231 173.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.27 -37.25 80.51 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.772 -0.649 . . . . 62.11 110.924 174.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' PHE . . . . . 0.486 ' CZ ' HD21 ' B' ' 103' ' ' LEU . 61.1 t80 -60.1 -40.71 90.6 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.382 0.673 . . . . 74.03 110.666 175.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' CYS . . . . . . . . . . . . . 72.5 m -73.7 -2.3 22.68 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.943 0.897 . . . . 75.43 112.655 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -76.93 82.78 3.47 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-O 121.875 0.845 . . . . 55.04 109.489 175.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.54 HG11 HD11 ' B' ' 91' ' ' LEU . 16.1 m -132.96 161.76 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 124.992 1.317 . . . . 71.03 109.439 -178.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -85.71 171.54 11.53 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.117 -1.068 . . . . 64.12 108.117 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . 0.417 ' HB3' ' HD3' ' B' ' 86' ' ' PRO . 22.8 tp60 -60.64 -49.96 87.44 Favored Pre-proline 0 CA--C 1.568 1.666 0 CA-C-O 118.362 -0.828 . . . . 64.4 112.604 -176.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' B' ' 85' ' ' GLN . 48.6 Cg_exo -59.15 -41.74 57.41 Favored 'Trans proline' 0 C--N 1.388 2.645 0 C-N-CA 121.934 1.756 . . . . 55.32 112.671 173.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 11.6 m -64.17 -30.39 71.45 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.969 0.908 . . . . 70.11 111.473 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.87 -45.59 85.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.096 0.958 . . . . 51.24 109.087 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.471 ' HE1' ' HE1' ' A' ' 89' ' ' PHE . 39.2 m-85 -68.9 -30.22 68.66 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.478 -0.783 . . . . 74.14 111.417 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -59.65 -35.43 74.4 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.917 0.487 . . . . 74.54 111.417 175.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.54 HD11 HG11 ' B' ' 83' ' ' VAL . 84.0 mt -67.64 -39.3 84.64 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.35 0.66 . . . . 63.53 110.535 175.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.421 HD12 ' HD1' ' B' ' 89' ' ' PHE . 59.3 mt -65.51 -42.79 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 123.565 0.746 . . . . 72.31 110.287 176.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 108' ' ' CYS . 95.3 mt -66.12 -43.21 87.79 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.151 0.981 . . . . 75.53 110.667 -178.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.62 -37.78 70.86 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.695 0.798 . . . . 73.33 111.318 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.522 ' HB2' HD12 ' B' ' 103' ' ' LEU . . . -72.1 -32.23 66.79 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 122.907 0.483 . . . . 74.14 111.518 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -75.88 -38.33 57.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.147 0.579 . . . . 64.34 109.925 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -65.71 -47.52 75.08 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.082 0.953 . . . . 75.13 111.111 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.407 HD22 HD11 ' B' ' 27' ' ' ILE . 99.2 mt -88.62 -7.99 55.43 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.922 0.889 . . . . 73.51 111.608 -177.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 36.8 t0 61.66 34.57 17.5 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.833 1.253 . . . . 74.24 111.055 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.636 HD13 ' SG ' ' B' ' 58' ' ' CYS . 37.1 mt -87.69 80.37 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.412 0 N-CA-C 108.06 -1.089 . . . . 64.15 108.06 174.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' LYS . . . . . 0.413 ' HA ' ' HB3' ' B' ' 104' ' ' LEU . 94.1 mttt -61.55 -37.15 38.25 Favored Pre-proline 0 CA--C 1.553 1.062 0 CA-C-N 114.129 -1.396 . . . . 70.53 113.414 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -46.71 -42.93 23.97 Favored 'Trans proline' 0 C--N 1.397 3.095 0 C-N-CA 121.948 1.766 . . . . 74.12 113.133 169.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' B' ' 95' ' ' ALA . 2.2 tm? -79.41 -43.87 22.53 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.672 0.389 . . . . 64.12 109.998 -179.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.415 HD21 HD21 ' A' ' 104' ' ' LEU . 60.9 tp -55.19 -44.77 75.58 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.172 0.989 . . . . 73.13 111.19 -177.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -70.59 -42.93 70.38 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 124.024 0.828 . . . . 42.24 110.904 -175.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 74.3 t -60.74 -42.21 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 123.081 0.552 . . . . 74.51 110.595 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 25.8 m -71.55 -30.52 65.98 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.59 0.756 . . . . 75.14 110.981 179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 88.6 m -70.25 -32.51 70.38 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.369 0.668 . . . . 65.3 110.506 173.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -72.47 -32.69 66.45 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.739 0.415 . . . . 54.44 110.336 173.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 87.1 m -60.75 -46.4 90.58 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.017 0.527 . . . . 75.35 110.797 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.27 -36.57 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 116.231 -0.44 . . . . 51.13 111.401 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' B' ' 116' ' ' ARG . . . -63.02 -43.53 98.46 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.444 0.698 . . . . 71.11 111.56 -177.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -62.14 -36.16 80.96 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.613 0.765 . . . . 75.24 111.687 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' MET . . . . . . . . . . . . . 58.8 mtm -77.52 -23.54 50.18 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.031 0.533 . . . . 74.12 111.935 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.6 pt -98.3 -1.05 10.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 122.805 0.442 . . . . 72.2 112.106 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' B' ' 112' ' ' ALA . 65.8 mtp180 -64.63 94.77 0.13 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.652 0.381 . . . . 72.35 110.454 175.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.51 -0.768 . . . . 37.07 112.25 176.018 . . . . . . . . 0 0 . 1 stop_ save_